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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
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375279 |
1f22 ![]() ![]() |
4743 | cing | 4-filtered-FRED | STAR | entry | full | 843 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1f22 # This FRED archive file contains, for PDB entry <1f22>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_1f22 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1f22 _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all other bound" _Assembly.Molecular_mass 9109.62 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 . 1 $CYTOCHROME_C7 A . 1 1 2 . 2 $HEME_C B . 1 1 3 . 2 $HEME_C C . 1 1 4 . 2 $HEME_C D . 1 1 stop_ loop_ _PDBX_nonpoly_scheme.Entity_assembly_ID _PDBX_nonpoly_scheme.Entity_ID _PDBX_nonpoly_scheme.Mon_ID _PDBX_nonpoly_scheme.Comp_index_ID _PDBX_nonpoly_scheme.Comp_ID _PDBX_nonpoly_scheme.Entry_ID _PDBX_nonpoly_scheme.Assembly_ID 2 2 HEC 1 HEC 1 1 3 2 HEC 1 HEC 1 1 4 2 HEC 1 HEC 1 1 stop_ save_ save_CYTOCHROME_C7 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "CYTOCHROME C7" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code ADVVTYENKKGNVTFDHKAHAEKLGCDACHEGTPAKIAIDKKSAHKDACKTCHKSNNGPTKCGGCHIK _Entity.Number_of_monomers 68 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ALA . 1 1 2 ASP . 1 1 3 VAL . 1 1 4 VAL . 1 1 5 THR . 1 1 6 TYR . 1 1 7 GLU . 1 1 8 ASN . 1 1 9 LYS . 1 1 10 LYS . 1 1 11 GLY . 1 1 12 ASN . 1 1 13 VAL . 1 1 14 THR . 1 1 15 PHE . 1 1 16 ASP . 1 1 17 HIS . 1 1 18 LYS . 1 1 19 ALA . 1 1 20 HIS . 1 1 21 ALA . 1 1 22 GLU . 1 1 23 LYS . 1 1 24 LEU . 1 1 25 GLY . 1 1 26 CYS . 1 1 27 ASP . 1 1 28 ALA . 1 1 29 CYS . 1 1 30 HIS . 1 1 31 GLU . 1 1 32 GLY . 1 1 33 THR . 1 1 34 PRO . 1 1 35 ALA . 1 1 36 LYS . 1 1 37 ILE . 1 1 38 ALA . 1 1 39 ILE . 1 1 40 ASP . 1 1 41 LYS . 1 1 42 LYS . 1 1 43 SER . 1 1 44 ALA . 1 1 45 HIS . 1 1 46 LYS . 1 1 47 ASP . 1 1 48 ALA . 1 1 49 CYS . 1 1 50 LYS . 1 1 51 THR . 1 1 52 CYS . 1 1 53 HIS . 1 1 54 LYS . 1 1 55 SER . 1 1 56 ASN . 1 1 57 ASN . 1 1 58 GLY . 1 1 59 PRO . 1 1 60 THR . 1 1 61 LYS . 1 1 62 CYS . 1 1 63 GLY . 1 1 64 GLY . 1 1 65 CYS . 1 1 66 HIS . 1 1 67 ILE . 1 1 68 LYS . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID ALA 1 1 1 1 ASP 2 2 1 1 VAL 3 3 1 1 VAL 4 4 1 1 THR 5 5 1 1 TYR 6 6 1 1 GLU 7 7 1 1 ASN 8 8 1 1 LYS 9 9 1 1 LYS 10 10 1 1 GLY 11 11 1 1 ASN 12 12 1 1 VAL 13 13 1 1 THR 14 14 1 1 PHE 15 15 1 1 ASP 16 16 1 1 HIS 17 17 1 1 LYS 18 18 1 1 ALA 19 19 1 1 HIS 20 20 1 1 ALA 21 21 1 1 GLU 22 22 1 1 LYS 23 23 1 1 LEU 24 24 1 1 GLY 25 25 1 1 CYS 26 26 1 1 ASP 27 27 1 1 ALA 28 28 1 1 CYS 29 29 1 1 HIS 30 30 1 1 GLU 31 31 1 1 GLY 32 32 1 1 THR 33 33 1 1 PRO 34 34 1 1 ALA 35 35 1 1 LYS 36 36 1 1 ILE 37 37 1 1 ALA 38 38 1 1 ILE 39 39 1 1 ASP 40 40 1 1 LYS 41 41 1 1 LYS 42 42 1 1 SER 43 43 1 1 ALA 44 44 1 1 HIS 45 45 1 1 LYS 46 46 1 1 ASP 47 47 1 1 ALA 48 48 1 1 CYS 49 49 1 1 LYS 50 50 1 1 THR 51 51 1 1 CYS 52 52 1 1 HIS 53 53 1 1 LYS 54 54 1 1 SER 55 55 1 1 ASN 56 56 1 1 ASN 57 57 1 1 GLY 58 58 1 1 PRO 59 59 1 1 THR 60 60 1 1 LYS 61 61 1 1 CYS 62 62 1 1 GLY 63 63 1 1 GLY 64 64 1 1 CYS 65 65 1 1 HIS 66 66 1 1 ILE 67 67 1 1 LYS 68 68 1 1 stop_ save_ save_HEME_C _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "HEME C" _Entity.Type non-polymer loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 HEC $HEC 1 2 stop_ save_ save_HEC _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID HEC _Chem_comp.Type non-polymer save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 310 1 . . . 1 1 311 1 . . . 1 1 312 1 . . . 1 1 313 1 . . . 1 1 314 1 . . . 1 1 315 1 . . . 1 1 316 1 . . . 1 1 317 1 . . . 1 1 318 1 . . . 1 1 319 1 . . . 1 1 320 1 . . . 1 1 321 1 . . . 1 1 322 1 . . . 1 1 323 1 . . . 1 1 324 1 . . . 1 1 325 1 . . . 1 1 326 1 . . . 1 1 327 1 . . . 1 1 328 1 . . . 1 1 329 1 . . . 1 1 330 1 . . . 1 1 331 1 . . . 1 1 332 1 . . . 1 1 333 1 . . . 1 1 334 1 . . . 1 1 335 1 . . . 1 1 336 1 . . . 1 1 337 1 . . . 1 1 338 1 . . . 1 1 339 1 . . . 1 1 340 1 . . . 1 1 341 1 . . . 1 1 342 1 . . . 1 1 343 1 . . . 1 1 344 1 . . . 1 1 345 1 . . . 1 1 346 1 . . . 1 1 347 1 . . . 1 1 348 1 . . . 1 1 349 1 . . . 1 1 350 1 . . . 1 1 351 1 . . . 1 1 352 1 . . . 1 1 353 1 . . . 1 1 354 1 . . . 1 1 355 1 . . . 1 1 356 1 . . . 1 1 357 1 . . . 1 1 358 1 . . . 1 1 359 1 . . . 1 1 360 1 . . . 1 1 361 1 . . . 1 1 362 1 . . . 1 1 363 1 . . . 1 1 364 1 . . . 1 1 365 1 . . . 1 1 366 1 . . . 1 1 367 1 . . . 1 1 368 1 . . . 1 1 369 1 . . . 1 1 370 1 . . . 1 1 371 1 . . . 1 1 372 1 . . . 1 1 373 1 . . . 1 1 374 1 . . . 1 1 375 1 . . . 1 1 376 1 . . . 1 1 377 1 . . . 1 1 378 1 . . . 1 1 379 1 . . . 1 1 380 1 . . . 1 1 381 1 . . . 1 1 382 1 . . . 1 1 383 1 . . . 1 1 384 1 . . . 1 1 385 1 . . . 1 1 386 1 . . . 1 1 387 1 . . . 1 1 388 1 . . . 1 1 389 1 . . . 1 1 390 1 . . . 1 1 391 1 . . . 1 1 392 1 . . . 1 1 393 1 . . . 1 1 394 1 . . . 1 1 395 1 . . . 1 1 396 1 . . . 1 1 397 1 . . . 1 1 398 1 . . . 1 1 399 1 . . . 1 1 400 1 . . . 1 1 401 1 . . . 1 1 402 1 . . . 1 1 403 1 . . . 1 1 404 1 . . . 1 1 405 1 . . . 1 1 406 1 . . . 1 1 407 1 . . . 1 1 408 1 . . . 1 1 409 1 . . . 1 1 410 1 . . . 1 1 411 1 . . . 1 1 412 1 . . . 1 1 413 1 . . . 1 1 414 1 . . . 1 1 415 1 . . . 1 1 416 1 . . . 1 1 417 1 . . . 1 1 418 1 . . . 1 1 419 1 . . . 1 1 420 1 . . . 1 1 421 1 . . . 1 1 422 1 . . . 1 1 423 1 . . . 1 1 424 1 . . . 1 1 425 1 . . . 1 1 426 1 . . . 1 1 427 1 . . . 1 1 428 1 . . . 1 1 429 1 . . . 1 1 430 1 . . . 1 1 431 1 . . . 1 1 432 1 . . . 1 1 433 1 . . . 1 1 434 1 . . . 1 1 435 1 . . . 1 1 436 1 . . . 1 1 437 1 . . . 1 1 438 1 . . . 1 1 439 1 . . . 1 1 440 1 . . . 1 1 441 1 . . . 1 1 442 1 . . . 1 1 443 1 . . . 1 1 444 1 . . . 1 1 445 1 . . . 1 1 446 1 . . . 1 1 447 1 . . . 1 1 448 1 . . . 1 1 449 1 . . . 1 1 450 1 . . . 1 1 451 1 . . . 1 1 452 1 . . . 1 1 453 1 . . . 1 1 454 1 . . . 1 1 455 1 . . . 1 1 456 1 . . . 1 1 457 1 . . . 1 1 458 1 . . . 1 1 459 1 . . . 1 1 460 1 . . . 1 1 461 1 . . . 1 1 462 1 . . . 1 1 463 1 . . . 1 1 464 1 . . . 1 1 465 1 . . . 1 1 466 1 . . . 1 1 467 1 . . . 1 1 468 1 . . . 1 1 469 1 . . . 1 1 470 1 . . . 1 1 471 1 . . . 1 1 472 1 . . . 1 1 473 1 . . . 1 1 474 1 . . . 1 1 475 1 . . . 1 1 476 1 . . . 1 1 477 1 . . . 1 1 478 1 . . . 1 1 479 1 . . . 1 1 480 1 . . . 1 1 481 1 . . . 1 1 482 1 . . . 1 1 483 1 . . . 1 1 484 1 . . . 1 1 485 1 . . . 1 1 486 1 . . . 1 1 487 1 . . . 1 1 488 1 . . . 1 1 489 1 . . . 1 1 490 1 . . . 1 1 491 1 . . . 1 1 492 1 . . . 1 1 493 1 . . . 1 1 494 1 . . . 1 1 495 1 . . . 1 1 496 1 . . . 1 1 497 1 . . . 1 1 498 1 . . . 1 1 499 1 . . . 1 1 500 1 . . . 1 1 501 1 . . . 1 1 502 1 . . . 1 1 503 1 . . . 1 1 504 1 . . . 1 1 505 1 . . . 1 1 506 1 . . . 1 1 507 1 . . . 1 1 508 1 . . . 1 1 509 1 . . . 1 1 510 1 . . . 1 1 511 1 . . . 1 1 512 1 . . . 1 1 513 1 . . . 1 1 514 1 . . . 1 1 515 1 . . . 1 1 516 1 . . . 1 1 517 1 . . . 1 1 518 1 . . . 1 1 519 1 . . . 1 1 520 1 . . . 1 1 521 1 . . . 1 1 522 1 . . . 1 1 523 1 . . . 1 1 524 1 . . . 1 1 525 1 . . . 1 1 526 1 . . . 1 1 527 1 . . . 1 1 528 1 . . . 1 1 529 1 . . . 1 1 530 1 . . . 1 1 531 1 . . . 1 1 532 1 . . . 1 1 533 1 . . . 1 1 534 1 . . . 1 1 535 1 . . . 1 1 536 1 . . . 1 1 537 1 . . . 1 1 538 1 . . . 1 1 539 1 . . . 1 1 540 1 . . . 1 1 541 1 . . . 1 1 542 1 . . . 1 1 543 1 . . . 1 1 544 1 . . . 1 1 545 1 . . . 1 1 546 1 . . . 1 1 547 1 . . . 1 1 548 1 . . . 1 1 549 1 . . . 1 1 550 1 . . . 1 1 551 1 . . . 1 1 552 1 . . . 1 1 553 1 . . . 1 1 554 1 . . . 1 1 555 1 . . . 1 1 556 1 . . . 1 1 557 1 . . . 1 1 558 1 . . . 1 1 559 1 . . . 1 1 560 1 . . . 1 1 561 1 . . . 1 1 562 1 . . . 1 1 563 1 . . . 1 1 564 1 . . . 1 1 565 1 . . . 1 1 566 1 . . . 1 1 567 1 . . . 1 1 568 1 . . . 1 1 569 1 . . . 1 1 570 1 . . . 1 1 571 1 . . . 1 1 572 1 . . . 1 1 573 1 . . . 1 1 574 1 . . . 1 1 575 1 . . . 1 1 576 1 . . . 1 1 577 1 . . . 1 1 578 1 . . . 1 1 579 1 . . . 1 1 580 1 . . . 1 1 581 1 . . . 1 1 582 1 . . . 1 1 583 1 . . . 1 1 584 1 . . . 1 1 585 1 . . . 1 1 586 1 . . . 1 1 587 1 . . . 1 1 588 1 . . . 1 1 589 1 . . . 1 1 590 1 . . . 1 1 591 1 . . . 1 1 592 1 . . . 1 1 593 1 . . . 1 1 594 1 . . . 1 1 595 1 . . . 1 1 596 1 . . . 1 1 597 1 . . . 1 1 598 1 . . . 1 1 599 1 . . . 1 1 600 1 . . . 1 1 601 1 . . . 1 1 602 1 . . . 1 1 603 1 . . . 1 1 604 1 . . . 1 1 605 1 . . . 1 1 606 1 . . . 1 1 607 1 . . . 1 1 608 1 . . . 1 1 609 1 . . . 1 1 610 1 . . . 1 1 611 1 . . . 1 1 612 1 . . . 1 1 613 1 . . . 1 1 614 1 . . . 1 1 615 1 . . . 1 1 616 1 . . . 1 1 617 1 . . . 1 1 618 1 . . . 1 1 619 1 . . . 1 1 620 1 . . . 1 1 621 1 . . . 1 1 622 1 . . . 1 1 623 1 . . . 1 1 624 1 . . . 1 1 625 1 . . . 1 1 626 1 . . . 1 1 627 1 . . . 1 1 628 1 . . . 1 1 629 1 . . . 1 1 630 1 . . . 1 1 631 1 . . . 1 1 632 1 . . . 1 1 633 1 . . . 1 1 634 1 . . . 1 1 635 1 . . . 1 1 636 1 . . . 1 1 637 1 . . . 1 1 638 1 . . . 1 1 639 1 . . . 1 1 640 1 . . . 1 1 641 1 . . . 1 1 642 1 . . . 1 1 643 1 . . . 1 1 644 1 . . . 1 1 645 1 . . . 1 1 646 1 . . . 1 1 647 1 . . . 1 1 648 1 . . . 1 1 649 1 . . . 1 1 650 1 . . . 1 1 651 1 . . . 1 1 652 1 . . . 1 1 653 1 . . . 1 1 654 1 . . . 1 1 655 1 . . . 1 1 656 1 . . . 1 1 657 1 . . . 1 1 658 1 . . . 1 1 659 1 . . . 1 1 660 1 . . . 1 1 661 1 . . . 1 1 662 1 . . . 1 1 663 1 . . . 1 1 664 1 . . . 1 1 665 1 . . . 1 1 666 1 . . . 1 1 667 1 . . . 1 1 668 1 . . . 1 1 669 1 . . . 1 1 670 1 . . . 1 1 671 1 . . . 1 1 672 1 . . . 1 1 673 1 . . . 1 1 674 1 . . . 1 1 675 1 . . . 1 1 676 1 . . . 1 1 677 1 . . . 1 1 678 1 . . . 1 1 679 1 . . . 1 1 680 1 . . . 1 1 681 1 . . . 1 1 682 1 . . . 1 1 683 1 . . . 1 1 684 1 . . . 1 1 685 1 . . . 1 1 686 1 . . . 1 1 687 1 . . . 1 1 688 1 . . . 1 1 689 1 . . . 1 1 690 1 . . . 1 1 691 1 . . . 1 1 692 1 . . . 1 1 693 1 . . . 1 1 694 1 . . . 1 1 695 1 . . . 1 1 696 1 . . . 1 1 697 1 . . . 1 1 698 1 . . . 1 1 699 1 . . . 1 1 700 1 . . . 1 1 701 1 . . . 1 1 702 1 . . . 1 1 703 1 . . . 1 1 704 1 . . . 1 1 705 1 . . . 1 1 706 1 . . . 1 1 707 1 . . . 1 1 708 1 . . . 1 1 709 1 . . . 1 1 710 1 . . . 1 1 711 1 . . . 1 1 712 1 . . . 1 1 713 1 . . . 1 1 714 1 . . . 1 1 715 1 . . . 1 1 716 1 . . . 1 1 717 1 . . . 1 1 718 1 . . . 1 1 719 1 . . . 1 1 720 1 . . . 1 1 721 1 . . . 1 1 722 1 . . . 1 1 723 1 . . . 1 1 724 1 . . . 1 1 725 1 . . . 1 1 726 1 . . . 1 1 727 1 . . . 1 1 728 1 . . . 1 1 729 1 . . . 1 1 730 1 . . . 1 1 731 1 . . . 1 1 732 1 . . . 1 1 733 1 . . . 1 1 734 1 . . . 1 1 735 1 . . . 1 1 736 1 . . . 1 1 737 1 . . . 1 1 738 1 . . . 1 1 739 1 . . . 1 1 740 1 . . . 1 1 741 1 . . . 1 1 742 1 . . . 1 1 743 1 . . . 1 1 744 1 . . . 1 1 745 1 . . . 1 1 746 1 . . . 1 1 747 1 . . . 1 1 748 1 . . . 1 1 749 1 . . . 1 1 750 1 . . . 1 1 751 1 . . . 1 1 752 1 . . . 1 1 753 1 . . . 1 1 754 1 . . . 1 1 755 1 . . . 1 1 756 1 . . . 1 1 757 1 . . . 1 1 758 1 . . . 1 1 759 1 . . . 1 1 760 1 . . . 1 1 761 1 . . . 1 1 762 1 . . . 1 1 763 1 . . . 1 1 764 1 . . . 1 1 765 1 . . . 1 1 766 1 . . . 1 1 767 1 . . . 1 1 768 1 . . . 1 1 769 1 . . . 1 1 770 1 . . . 1 1 771 1 . . . 1 1 772 1 . . . 1 1 773 1 . . . 1 1 774 1 . . . 1 1 775 1 . . . 1 1 776 1 . . . 1 1 777 1 . . . 1 1 778 1 . . . 1 1 779 1 . . . 1 1 780 1 . . . 1 1 781 1 . . . 1 1 782 1 . . . 1 1 783 1 . . . 1 1 784 1 . . . 1 1 785 1 . . . 1 1 786 1 . . . 1 1 787 1 . . . 1 1 788 1 . . . 1 1 789 1 . . . 1 1 790 1 . . . 1 1 791 1 . . . 1 1 792 1 . . . 1 1 793 1 . . . 1 1 794 1 . . . 1 1 795 1 . . . 1 1 796 1 . . . 1 1 797 1 . . . 1 1 798 1 . . . 1 1 799 1 . . . 1 1 800 1 . . . 1 1 801 1 . . . 1 1 802 1 . . . 1 1 803 1 . . . 1 1 804 1 . . . 1 1 805 1 . . . 1 1 806 1 . . . 1 1 807 1 . . . 1 1 808 1 . . . 1 1 809 1 . . . 1 1 810 1 . . . 1 1 811 1 . . . 1 1 812 1 . . . 1 1 813 1 . . . 1 1 814 1 . . . 1 1 815 1 . . . 1 1 816 1 . . . 1 1 817 1 . . . 1 1 818 1 . . . 1 1 819 1 . . . 1 1 820 1 . . . 1 1 821 1 . . . 1 1 822 1 . . . 1 1 823 1 . . . 1 1 824 1 . . . 1 1 825 1 . . . 1 1 826 1 . . . 1 1 827 1 . . . 1 1 828 1 . . . 1 1 829 1 . . . 1 1 830 1 . . . 1 1 831 1 . . . 1 1 832 1 . . . 1 1 833 1 . . . 1 1 834 1 . . . 1 1 835 1 . . . 1 1 836 1 . . . 1 1 837 1 . . . 1 1 838 1 . . . 1 1 839 1 . . . 1 1 840 1 . . . 1 1 841 1 . . . 1 1 842 1 . . . 1 1 843 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 ASP H . 2 ASP- HN 1 1 1 1 2 1 1 3 VAL H . 3 VAL HN 1 1 2 1 1 1 1 2 ASP H . 2 ASP- HN 1 1 2 1 2 1 1 18 LYS QB . 18 LYS+ HB3 1 1 3 1 1 1 1 2 ASP H . 2 ASP- HN 1 1 3 1 2 1 1 18 LYS QD . 18 LYS+ HD2 1 1 4 1 1 1 1 2 ASP H . 2 ASP- HN 1 1 4 1 2 1 1 18 LYS QG . 18 LYS+ HG3 1 1 5 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1 5 1 2 1 1 3 VAL H . 3 VAL HN 1 1 6 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1 6 1 2 1 1 17 HIS H . 17 HIS HN 1 1 7 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1 7 1 2 1 1 17 HIS HB2 . 17 HIS HB2 1 1 8 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1 8 1 2 1 1 17 HIS HB3 . 17 HIS HB3 1 1 9 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1 9 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1 10 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1 10 1 2 1 1 18 LYS HA . 18 LYS+ HA 1 1 11 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1 11 1 2 1 1 18 LYS QB . 18 LYS+ HB2 1 1 12 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1 12 1 2 1 1 19 ALA H . 19 ALA HN 1 1 13 1 1 1 1 2 ASP QB . 2 ASP- HB2 1 1 13 1 2 1 1 3 VAL H . 3 VAL HN 1 1 14 1 1 1 1 2 ASP QB . 2 ASP- HB2 1 1 14 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1 15 1 1 1 1 2 ASP QB . 2 ASP- HB2 1 1 15 1 2 1 1 18 LYS QB . 18 LYS+ HB2 1 1 16 1 1 1 1 2 ASP QB . 2 ASP- HB2 1 1 16 1 2 1 1 18 LYS QD . 18 LYS+ HD3 1 1 17 1 1 1 1 3 VAL H . 3 VAL HN 1 1 17 1 2 1 1 4 VAL H . 4 VAL HN 1 1 18 1 1 1 1 3 VAL H . 3 VAL HN 1 1 18 1 2 1 1 4 VAL MG2 . 4 VAL QG2 1 1 19 1 1 1 1 3 VAL H . 3 VAL HN 1 1 19 1 2 1 1 17 HIS HB2 . 17 HIS HB2 1 1 20 1 1 1 1 3 VAL H . 3 VAL HN 1 1 20 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1 21 1 1 1 1 3 VAL HA . 3 VAL HA 1 1 21 1 2 1 1 4 VAL H . 4 VAL HN 1 1 22 1 1 1 1 3 VAL HA . 3 VAL HA 1 1 22 1 2 1 1 4 VAL HB . 4 VAL HB 1 1 23 1 1 1 1 3 VAL HA . 3 VAL HA 1 1 23 1 2 1 1 4 VAL MG2 . 4 VAL QG2 1 1 24 1 1 1 1 3 VAL HA . 3 VAL HA 1 1 24 1 2 1 1 17 HIS H . 17 HIS HN 1 1 25 1 1 1 1 3 VAL HA . 3 VAL HA 1 1 25 1 2 1 1 17 HIS HB2 . 17 HIS HB2 1 1 26 1 1 1 1 3 VAL HA . 3 VAL HA 1 1 26 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1 27 1 1 1 1 3 VAL QG . 3 VAL QG1 1 1 27 1 2 1 1 4 VAL H . 4 VAL HN 1 1 28 1 1 1 1 3 VAL QG . 3 VAL QG2 1 1 28 1 2 1 1 14 THR HB . 14 THR HB 1 1 29 1 1 1 1 4 VAL H . 4 VAL HN 1 1 29 1 2 1 1 4 VAL HB . 4 VAL HB 1 1 30 1 1 1 1 4 VAL H . 4 VAL HN 1 1 30 1 2 1 1 4 VAL MG1 . 4 VAL QG1 1 1 31 1 1 1 1 4 VAL H . 4 VAL HN 1 1 31 1 2 1 1 5 THR H . 5 THR HN 1 1 32 1 1 1 1 4 VAL H . 4 VAL HN 1 1 32 1 2 1 1 5 THR MG . 5 THR QG2 1 1 33 1 1 1 1 4 VAL H . 4 VAL HN 1 1 33 1 2 1 1 6 TYR CZ . 6 TYR CZ 1 1 34 1 1 1 1 4 VAL H . 4 VAL HN 1 1 34 1 2 1 1 6 TYR H . 6 TYR HN 1 1 35 1 1 1 1 4 VAL H . 4 VAL HN 1 1 35 1 2 1 1 15 PHE CG . 15 PHE CG 1 1 36 1 1 1 1 4 VAL H . 4 VAL HN 1 1 36 1 2 1 1 15 PHE H . 15 PHE HN 1 1 37 1 1 1 1 4 VAL H . 4 VAL HN 1 1 37 1 2 1 1 15 PHE QB . 15 PHE HB2 1 1 38 1 1 1 1 4 VAL H . 4 VAL HN 1 1 38 1 2 1 1 17 HIS H . 17 HIS HN 1 1 39 1 1 1 1 4 VAL H . 4 VAL HN 1 1 39 1 2 1 1 17 HIS HA . 17 HIS HA 1 1 40 1 1 1 1 4 VAL H . 4 VAL HN 1 1 40 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1 41 1 1 1 1 4 VAL HA . 4 VAL HA 1 1 41 1 2 1 1 5 THR H . 5 THR HN 1 1 42 1 1 1 1 4 VAL HA . 4 VAL HA 1 1 42 1 2 1 1 6 TYR CZ . 6 TYR CZ 1 1 43 1 1 1 1 4 VAL HB . 4 VAL HB 1 1 43 1 2 1 1 5 THR H . 5 THR HN 1 1 44 1 1 1 1 4 VAL HB . 4 VAL HB 1 1 44 1 2 1 1 6 TYR CZ . 6 TYR CZ 1 1 45 1 1 1 1 4 VAL HB . 4 VAL HB 1 1 45 1 2 1 1 15 PHE CG . 15 PHE CG 1 1 46 1 1 1 1 4 VAL HB . 4 VAL HB 1 1 46 1 2 1 1 15 PHE CZ . 15 PHE CZ 1 1 47 1 1 1 1 4 VAL MG1 . 4 VAL QG1 1 1 47 1 2 1 1 5 THR H . 5 THR HN 1 1 48 1 1 1 1 4 VAL MG1 . 4 VAL QG1 1 1 48 1 2 1 1 5 THR HA . 5 THR HA 1 1 49 1 1 1 1 4 VAL MG1 . 4 VAL QG1 1 1 49 1 2 1 1 5 THR HB . 5 THR HB 1 1 50 1 1 1 1 4 VAL MG1 . 4 VAL QG1 1 1 50 1 2 1 1 5 THR MG . 5 THR QG2 1 1 51 1 1 1 1 4 VAL MG1 . 4 VAL QG1 1 1 51 1 2 1 1 6 TYR CG . 6 TYR CG 1 1 52 1 1 1 1 4 VAL MG1 . 4 VAL QG1 1 1 52 1 2 1 1 6 TYR CZ . 6 TYR CZ 1 1 53 1 1 1 1 4 VAL MG1 . 4 VAL QG1 1 1 53 1 2 1 1 6 TYR H . 6 TYR HN 1 1 54 1 1 1 1 4 VAL MG1 . 4 VAL QG1 1 1 54 1 2 1 1 7 GLU H . 7 GLU- HN 1 1 55 1 1 1 1 4 VAL MG1 . 4 VAL QG1 1 1 55 1 2 1 1 13 VAL H . 13 VAL HN 1 1 56 1 1 1 1 4 VAL MG1 . 4 VAL QG1 1 1 56 1 2 1 1 15 PHE CG . 15 PHE CG 1 1 57 1 1 1 1 4 VAL MG1 . 4 VAL QG1 1 1 57 1 2 1 1 15 PHE CZ . 15 PHE CZ 1 1 58 1 1 1 1 4 VAL MG1 . 4 VAL QG1 1 1 58 1 2 1 1 15 PHE H . 15 PHE HN 1 1 59 1 1 1 1 4 VAL MG2 . 4 VAL QG2 1 1 59 1 2 1 1 5 THR H . 5 THR HN 1 1 60 1 1 1 1 4 VAL MG2 . 4 VAL QG2 1 1 60 1 2 1 1 5 THR HA . 5 THR HA 1 1 61 1 1 1 1 4 VAL MG2 . 4 VAL QG2 1 1 61 1 2 1 1 6 TYR CG . 6 TYR CG 1 1 62 1 1 1 1 4 VAL MG2 . 4 VAL QG2 1 1 62 1 2 1 1 6 TYR CZ . 6 TYR CZ 1 1 63 1 1 1 1 4 VAL MG2 . 4 VAL QG2 1 1 63 1 2 1 1 6 TYR H . 6 TYR HN 1 1 64 1 1 1 1 4 VAL MG2 . 4 VAL QG2 1 1 64 1 2 1 1 15 PHE CG . 15 PHE CG 1 1 65 1 1 1 1 4 VAL MG2 . 4 VAL QG2 1 1 65 1 2 1 1 15 PHE CZ . 15 PHE CZ 1 1 66 1 1 1 1 4 VAL MG2 . 4 VAL QG2 1 1 66 1 2 1 1 15 PHE H . 15 PHE HN 1 1 67 1 1 1 1 4 VAL MG2 . 4 VAL QG2 1 1 67 1 2 1 1 17 HIS H . 17 HIS HN 1 1 68 1 1 1 1 5 THR H . 5 THR HN 1 1 68 1 2 1 1 5 THR HB . 5 THR HB 1 1 69 1 1 1 1 5 THR H . 5 THR HN 1 1 69 1 2 1 1 6 TYR CG . 6 TYR CG 1 1 70 1 1 1 1 5 THR H . 5 THR HN 1 1 70 1 2 1 1 6 TYR H . 6 TYR HN 1 1 71 1 1 1 1 5 THR H . 5 THR HN 1 1 71 1 2 1 1 7 GLU H . 7 GLU- HN 1 1 72 1 1 1 1 5 THR H . 5 THR HN 1 1 72 1 2 1 1 15 PHE CZ . 15 PHE CZ 1 1 73 1 1 1 1 5 THR H . 5 THR HN 1 1 73 1 2 1 1 15 PHE H . 15 PHE HN 1 1 74 1 1 1 1 5 THR HA . 5 THR HA 1 1 74 1 2 1 1 6 TYR H . 6 TYR HN 1 1 75 1 1 1 1 5 THR HA . 5 THR HA 1 1 75 1 2 1 1 12 ASN HB3 . 12 ASN HB3 1 1 76 1 1 1 1 5 THR HA . 5 THR HA 1 1 76 1 2 1 1 13 VAL H . 13 VAL HN 1 1 77 1 1 1 1 5 THR HA . 5 THR HA 1 1 77 1 2 1 1 15 PHE H . 15 PHE HN 1 1 78 1 1 1 1 5 THR HA . 5 THR HA 1 1 78 1 2 1 1 15 PHE HZ . 15 PHE HZ 1 1 79 1 1 1 1 5 THR HB . 5 THR HB 1 1 79 1 2 1 1 6 TYR H . 6 TYR HN 1 1 80 1 1 1 1 5 THR HB . 5 THR HB 1 1 80 1 2 1 1 7 GLU H . 7 GLU- HN 1 1 81 1 1 1 1 5 THR HB . 5 THR HB 1 1 81 1 2 1 1 13 VAL H . 13 VAL HN 1 1 82 1 1 1 1 5 THR HB . 5 THR HB 1 1 82 1 2 1 1 15 PHE H . 15 PHE HN 1 1 83 1 1 1 1 5 THR MG . 5 THR QG2 1 1 83 1 2 1 1 6 TYR CG . 6 TYR CG 1 1 84 1 1 1 1 5 THR MG . 5 THR QG2 1 1 84 1 2 1 1 6 TYR CZ . 6 TYR CZ 1 1 85 1 1 1 1 5 THR MG . 5 THR QG2 1 1 85 1 2 1 1 6 TYR H . 6 TYR HN 1 1 86 1 1 1 1 5 THR MG . 5 THR QG2 1 1 86 1 2 1 1 6 TYR HA . 6 TYR HA 1 1 87 1 1 1 1 5 THR MG . 5 THR QG2 1 1 87 1 2 1 1 7 GLU H . 7 GLU- HN 1 1 88 1 1 1 1 5 THR MG . 5 THR QG2 1 1 88 1 2 1 1 7 GLU HA . 7 GLU- HA 1 1 89 1 1 1 1 5 THR MG . 5 THR QG2 1 1 89 1 2 1 1 8 ASN H . 8 ASN HN 1 1 90 1 1 1 1 5 THR MG . 5 THR QG2 1 1 90 1 2 1 1 12 ASN HA . 12 ASN HA 1 1 91 1 1 1 1 5 THR MG . 5 THR QG2 1 1 91 1 2 1 1 12 ASN HB2 . 12 ASN HB2 1 1 92 1 1 1 1 5 THR MG . 5 THR QG2 1 1 92 1 2 1 1 12 ASN HB3 . 12 ASN HB3 1 1 93 1 1 1 1 5 THR MG . 5 THR QG2 1 1 93 1 2 1 1 12 ASN QD . 12 ASN HD21 1 1 94 1 1 1 1 5 THR MG . 5 THR QG2 1 1 94 1 2 1 1 13 VAL H . 13 VAL HN 1 1 95 1 1 1 1 5 THR MG . 5 THR QG2 1 1 95 1 2 1 1 13 VAL HA . 13 VAL HA 1 1 96 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 96 1 2 1 1 7 GLU H . 7 GLU- HN 1 1 97 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 97 1 2 1 1 7 GLU QG . 7 GLU- QG 1 1 98 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 98 1 2 1 1 8 ASN H . 8 ASN HN 1 1 99 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 99 1 2 1 1 13 VAL H . 13 VAL HN 1 1 100 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 100 1 2 1 1 13 VAL HA . 13 VAL HA 1 1 101 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 101 1 2 1 1 13 VAL HB . 13 VAL HB 1 1 102 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 102 1 2 1 1 13 VAL MG1 . 13 VAL QG1 1 1 103 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 103 1 2 1 1 13 VAL MG2 . 13 VAL QG2 1 1 104 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 104 1 2 1 1 15 PHE CG . 15 PHE CG 1 1 105 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 105 1 2 1 1 15 PHE CZ . 15 PHE CZ 1 1 106 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 106 1 2 1 1 15 PHE H . 15 PHE HN 1 1 107 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 107 1 2 1 1 15 PHE QB . 15 PHE HB2 1 1 108 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 108 1 2 1 1 15 PHE HZ . 15 PHE HZ 1 1 109 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 109 1 2 1 1 39 ILE HB . 39 ILE HB 1 1 110 1 1 1 1 6 TYR CG . 6 TYR CG 1 1 110 1 2 1 1 39 ILE MG . 39 ILE QG2 1 1 111 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1 111 1 2 1 1 6 TYR H . 6 TYR HN 1 1 112 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1 112 1 2 1 1 7 GLU H . 7 GLU- HN 1 1 113 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1 113 1 2 1 1 13 VAL MG1 . 13 VAL QG1 1 1 114 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1 114 1 2 1 1 13 VAL MG2 . 13 VAL QG2 1 1 115 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1 115 1 2 1 1 15 PHE CG . 15 PHE CG 1 1 116 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1 116 1 2 1 1 15 PHE CZ . 15 PHE CZ 1 1 117 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1 117 1 2 1 1 15 PHE H . 15 PHE HN 1 1 118 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1 118 1 2 1 1 15 PHE QB . 15 PHE HB2 1 1 119 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1 119 1 2 1 1 15 PHE HZ . 15 PHE HZ 1 1 120 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1 120 1 2 1 1 39 ILE H . 39 ILE HN 1 1 121 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1 121 1 2 1 1 39 ILE HB . 39 ILE HB 1 1 122 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1 122 1 2 1 1 39 ILE QG . 39 ILE HG12 1 1 123 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1 123 1 2 1 1 39 ILE MG . 39 ILE QG2 1 1 124 1 1 1 1 6 TYR H . 6 TYR HN 1 1 124 1 2 1 1 7 GLU H . 7 GLU- HN 1 1 125 1 1 1 1 6 TYR H . 6 TYR HN 1 1 125 1 2 1 1 7 GLU HA . 7 GLU- HA 1 1 126 1 1 1 1 6 TYR H . 6 TYR HN 1 1 126 1 2 1 1 8 ASN H . 8 ASN HN 1 1 127 1 1 1 1 6 TYR H . 6 TYR HN 1 1 127 1 2 1 1 12 ASN HA . 12 ASN HA 1 1 128 1 1 1 1 6 TYR H . 6 TYR HN 1 1 128 1 2 1 1 12 ASN HB3 . 12 ASN HB3 1 1 129 1 1 1 1 6 TYR H . 6 TYR HN 1 1 129 1 2 1 1 12 ASN QD . 12 ASN HD22 1 1 130 1 1 1 1 6 TYR H . 6 TYR HN 1 1 130 1 2 1 1 13 VAL H . 13 VAL HN 1 1 131 1 1 1 1 6 TYR H . 6 TYR HN 1 1 131 1 2 1 1 13 VAL HB . 13 VAL HB 1 1 132 1 1 1 1 6 TYR H . 6 TYR HN 1 1 132 1 2 1 1 14 THR HA . 14 THR HA 1 1 133 1 1 1 1 6 TYR HA . 6 TYR HA 1 1 133 1 2 1 1 7 GLU H . 7 GLU- HN 1 1 134 1 1 1 1 6 TYR HA . 6 TYR HA 1 1 134 1 2 1 1 7 GLU HA . 7 GLU- HA 1 1 135 1 1 1 1 6 TYR HA . 6 TYR HA 1 1 135 1 2 1 1 13 VAL H . 13 VAL HN 1 1 136 1 1 1 1 6 TYR HA . 6 TYR HA 1 1 136 1 2 1 1 13 VAL MG1 . 13 VAL QG1 1 1 137 1 1 1 1 6 TYR HB2 . 6 TYR HB3 1 1 137 1 2 1 1 7 GLU H . 7 GLU- HN 1 1 138 1 1 1 1 6 TYR HB2 . 6 TYR HB3 1 1 138 1 2 1 1 8 ASN H . 8 ASN HN 1 1 139 1 1 1 1 6 TYR HB2 . 6 TYR HB3 1 1 139 1 2 1 1 8 ASN QD . 8 ASN HD21 1 1 140 1 1 1 1 6 TYR HB2 . 6 TYR HB3 1 1 140 1 2 1 1 13 VAL H . 13 VAL HN 1 1 141 1 1 1 1 6 TYR HB2 . 6 TYR HB3 1 1 141 1 2 1 1 13 VAL HB . 13 VAL HB 1 1 142 1 1 1 1 6 TYR HB2 . 6 TYR HB3 1 1 142 1 2 1 1 13 VAL MG1 . 13 VAL QG1 1 1 143 1 1 1 1 6 TYR HB2 . 6 TYR HB3 1 1 143 1 2 1 1 13 VAL MG2 . 13 VAL QG2 1 1 144 1 1 1 1 6 TYR HB3 . 6 TYR HB2 1 1 144 1 2 1 1 7 GLU H . 7 GLU- HN 1 1 145 1 1 1 1 6 TYR HB3 . 6 TYR HB2 1 1 145 1 2 1 1 8 ASN QD . 8 ASN HD21 1 1 146 1 1 1 1 6 TYR HB3 . 6 TYR HB2 1 1 146 1 2 1 1 13 VAL H . 13 VAL HN 1 1 147 1 1 1 1 6 TYR HB3 . 6 TYR HB2 1 1 147 1 2 1 1 13 VAL HB . 13 VAL HB 1 1 148 1 1 1 1 7 GLU H . 7 GLU- HN 1 1 148 1 2 1 1 7 GLU HB2 . 7 GLU- HB2 1 1 149 1 1 1 1 7 GLU H . 7 GLU- HN 1 1 149 1 2 1 1 7 GLU HB3 . 7 GLU- HB3 1 1 150 1 1 1 1 7 GLU H . 7 GLU- HN 1 1 150 1 2 1 1 8 ASN H . 8 ASN HN 1 1 151 1 1 1 1 7 GLU H . 7 GLU- HN 1 1 151 1 2 1 1 12 ASN HA . 12 ASN HA 1 1 152 1 1 1 1 7 GLU H . 7 GLU- HN 1 1 152 1 2 1 1 12 ASN QD . 12 ASN HD21 1 1 153 1 1 1 1 7 GLU H . 7 GLU- HN 1 1 153 1 2 1 1 13 VAL H . 13 VAL HN 1 1 154 1 1 1 1 7 GLU H . 7 GLU- HN 1 1 154 1 2 1 1 13 VAL MG2 . 13 VAL QG2 1 1 155 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1 155 1 2 1 1 8 ASN H . 8 ASN HN 1 1 156 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1 156 1 2 1 1 8 ASN QD . 8 ASN HD21 1 1 157 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1 157 1 2 1 1 12 ASN H . 12 ASN HN 1 1 158 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1 158 1 2 1 1 12 ASN HB2 . 12 ASN HB2 1 1 159 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1 159 1 2 1 1 12 ASN HB3 . 12 ASN HB3 1 1 160 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1 160 1 2 1 1 12 ASN QD . 12 ASN HD21 1 1 161 1 1 1 1 7 GLU HB2 . 7 GLU- HB2 1 1 161 1 2 1 1 8 ASN H . 8 ASN HN 1 1 162 1 1 1 1 7 GLU HB2 . 7 GLU- HB2 1 1 162 1 2 1 1 12 ASN HA . 12 ASN HA 1 1 163 1 1 1 1 7 GLU HB2 . 7 GLU- HB2 1 1 163 1 2 1 1 12 ASN QD . 12 ASN HD21 1 1 164 1 1 1 1 7 GLU HB3 . 7 GLU- HB3 1 1 164 1 2 1 1 8 ASN H . 8 ASN HN 1 1 165 1 1 1 1 7 GLU HB3 . 7 GLU- HB3 1 1 165 1 2 1 1 12 ASN HA . 12 ASN HA 1 1 166 1 1 1 1 7 GLU HB3 . 7 GLU- HB3 1 1 166 1 2 1 1 12 ASN QD . 12 ASN HD21 1 1 167 1 1 1 1 7 GLU QG . 7 GLU- QG 1 1 167 1 2 1 1 8 ASN H . 8 ASN HN 1 1 168 1 1 1 1 7 GLU QG . 7 GLU- QG 1 1 168 1 2 1 1 12 ASN QD . 12 ASN HD21 1 1 169 1 1 1 1 8 ASN H . 8 ASN HN 1 1 169 1 2 1 1 8 ASN QD . 8 ASN HD21 1 1 170 1 1 1 1 8 ASN H . 8 ASN HN 1 1 170 1 2 1 1 9 LYS H . 9 LYS+ HN 1 1 171 1 1 1 1 8 ASN H . 8 ASN HN 1 1 171 1 2 1 1 9 LYS HA . 9 LYS+ HA 1 1 172 1 1 1 1 8 ASN H . 8 ASN HN 1 1 172 1 2 1 1 11 GLY H . 11 GLY HN 1 1 173 1 1 1 1 8 ASN H . 8 ASN HN 1 1 173 1 2 1 1 12 ASN H . 12 ASN HN 1 1 174 1 1 1 1 8 ASN H . 8 ASN HN 1 1 174 1 2 1 1 12 ASN HA . 12 ASN HA 1 1 175 1 1 1 1 8 ASN H . 8 ASN HN 1 1 175 1 2 1 1 12 ASN HB2 . 12 ASN HB2 1 1 176 1 1 1 1 8 ASN H . 8 ASN HN 1 1 176 1 2 1 1 12 ASN HB3 . 12 ASN HB3 1 1 177 1 1 1 1 8 ASN H . 8 ASN HN 1 1 177 1 2 1 1 12 ASN QD . 12 ASN HD21 1 1 178 1 1 1 1 8 ASN H . 8 ASN HN 1 1 178 1 2 1 1 13 VAL H . 13 VAL HN 1 1 179 1 1 1 1 8 ASN H . 8 ASN HN 1 1 179 1 2 1 1 13 VAL MG2 . 13 VAL QG2 1 1 180 1 1 1 1 8 ASN HA . 8 ASN HA 1 1 180 1 2 1 1 9 LYS H . 9 LYS+ HN 1 1 181 1 1 1 1 8 ASN HA . 8 ASN HA 1 1 181 1 2 1 1 9 LYS HA . 9 LYS+ HA 1 1 182 1 1 1 1 8 ASN HA . 8 ASN HA 1 1 182 1 2 1 1 9 LYS QB . 9 LYS+ HB2 1 1 183 1 1 1 1 8 ASN HA . 8 ASN HA 1 1 183 1 2 1 1 10 LYS H . 10 LYS+ HN 1 1 184 1 1 1 1 8 ASN HA . 8 ASN HA 1 1 184 1 2 1 1 11 GLY H . 11 GLY HN 1 1 185 1 1 1 1 8 ASN QB . 8 ASN HB2 1 1 185 1 2 1 1 9 LYS H . 9 LYS+ HN 1 1 186 1 1 1 1 8 ASN QB . 8 ASN HB2 1 1 186 1 2 1 1 10 LYS H . 10 LYS+ HN 1 1 187 1 1 1 1 8 ASN QB . 8 ASN HB2 1 1 187 1 2 1 1 10 LYS QB . 10 LYS+ QB 1 1 188 1 1 1 1 8 ASN QB . 8 ASN HB2 1 1 188 1 2 1 1 11 GLY H . 11 GLY HN 1 1 189 1 1 1 1 8 ASN QB . 8 ASN HB3 1 1 189 1 2 1 1 66 HIS HD1 . 66 HIS HD1 1 1 190 1 1 1 1 8 ASN QD . 8 ASN HD21 1 1 190 1 2 1 1 9 LYS H . 9 LYS+ HN 1 1 191 1 1 1 1 8 ASN QD . 8 ASN HD22 1 1 191 1 2 1 1 11 GLY H . 11 GLY HN 1 1 192 1 1 1 1 8 ASN QD . 8 ASN HD21 1 1 192 1 2 1 1 12 ASN HA . 12 ASN HA 1 1 193 1 1 1 1 8 ASN QD . 8 ASN HD22 1 1 193 1 2 1 1 13 VAL H . 13 VAL HN 1 1 194 1 1 1 1 8 ASN QD . 8 ASN HD22 1 1 194 1 2 1 1 13 VAL HB . 13 VAL HB 1 1 195 1 1 1 1 8 ASN QD . 8 ASN HD21 1 1 195 1 2 1 1 13 VAL MG2 . 13 VAL QG2 1 1 196 1 1 1 1 8 ASN QD . 8 ASN HD21 1 1 196 1 2 1 1 66 HIS HD1 . 66 HIS HD1 1 1 197 1 1 1 1 8 ASN QD . 8 ASN HD22 1 1 197 1 2 1 1 66 HIS HE1 . 66 HIS HE1 1 1 198 1 1 1 1 9 LYS H . 9 LYS+ HN 1 1 198 1 2 1 1 9 LYS QB . 9 LYS+ HB2 1 1 199 1 1 1 1 9 LYS H . 9 LYS+ HN 1 1 199 1 2 1 1 9 LYS QD . 9 LYS+ QD 1 1 200 1 1 1 1 9 LYS H . 9 LYS+ HN 1 1 200 1 2 1 1 9 LYS QE . 9 LYS+ HE2 1 1 201 1 1 1 1 9 LYS H . 9 LYS+ HN 1 1 201 1 2 1 1 9 LYS QG . 9 LYS+ QG 1 1 202 1 1 1 1 9 LYS H . 9 LYS+ HN 1 1 202 1 2 1 1 10 LYS H . 10 LYS+ HN 1 1 203 1 1 1 1 9 LYS H . 9 LYS+ HN 1 1 203 1 2 1 1 10 LYS QB . 10 LYS+ QB 1 1 204 1 1 1 1 9 LYS H . 9 LYS+ HN 1 1 204 1 2 1 1 11 GLY H . 11 GLY HN 1 1 205 1 1 1 1 9 LYS HA . 9 LYS+ HA 1 1 205 1 2 1 1 9 LYS QE . 9 LYS+ HE2 1 1 206 1 1 1 1 9 LYS HA . 9 LYS+ HA 1 1 206 1 2 1 1 10 LYS H . 10 LYS+ HN 1 1 207 1 1 1 1 9 LYS HA . 9 LYS+ HA 1 1 207 1 2 1 1 11 GLY H . 11 GLY HN 1 1 208 1 1 1 1 9 LYS QB . 9 LYS+ HB2 1 1 208 1 2 1 1 9 LYS QE . 9 LYS+ QE 1 1 209 1 1 1 1 9 LYS QB . 9 LYS+ HB2 1 1 209 1 2 1 1 10 LYS H . 10 LYS+ HN 1 1 210 1 1 1 1 9 LYS QB . 9 LYS+ HB2 1 1 210 1 2 1 1 11 GLY H . 11 GLY HN 1 1 211 1 1 1 1 9 LYS QD . 9 LYS+ QD 1 1 211 1 2 1 1 10 LYS H . 10 LYS+ HN 1 1 212 1 1 1 1 9 LYS QG . 9 LYS+ QG 1 1 212 1 2 1 1 10 LYS QG . 10 LYS+ HG3 1 1 213 1 1 1 1 10 LYS H . 10 LYS+ HN 1 1 213 1 2 1 1 10 LYS HE2 . 10 LYS+ HE2 1 1 214 1 1 1 1 10 LYS H . 10 LYS+ HN 1 1 214 1 2 1 1 10 LYS QG . 10 LYS+ HG2 1 1 215 1 1 1 1 10 LYS H . 10 LYS+ HN 1 1 215 1 2 1 1 11 GLY H . 11 GLY HN 1 1 216 1 1 1 1 10 LYS H . 10 LYS+ HN 1 1 216 1 2 1 1 66 HIS HD1 . 66 HIS HD1 1 1 217 1 1 1 1 10 LYS HA . 10 LYS+ HA 1 1 217 1 2 1 1 10 LYS HE2 . 10 LYS+ HE2 1 1 218 1 1 1 1 10 LYS HA . 10 LYS+ HA 1 1 218 1 2 1 1 10 LYS HE3 . 10 LYS+ HE3 1 1 219 1 1 1 1 10 LYS HA . 10 LYS+ HA 1 1 219 1 2 1 1 11 GLY H . 11 GLY HN 1 1 220 1 1 1 1 10 LYS QB . 10 LYS+ QB 1 1 220 1 2 1 1 10 LYS HE3 . 10 LYS+ HE3 1 1 221 1 1 1 1 10 LYS QB . 10 LYS+ QB 1 1 221 1 2 1 1 11 GLY H . 11 GLY HN 1 1 222 1 1 1 1 10 LYS QB . 10 LYS+ QB 1 1 222 1 2 1 1 66 HIS HB2 . 66 HIS HB3 1 1 223 1 1 1 1 10 LYS QB . 10 LYS+ QB 1 1 223 1 2 1 1 66 HIS HD1 . 66 HIS HD1 1 1 224 1 1 1 1 10 LYS QB . 10 LYS+ QB 1 1 224 1 2 1 1 66 HIS HE1 . 66 HIS HE1 1 1 225 1 1 1 1 10 LYS HE3 . 10 LYS+ HE3 1 1 225 1 2 1 1 10 LYS QG . 10 LYS+ HG2 1 1 226 1 1 1 1 10 LYS QG . 10 LYS+ HG3 1 1 226 1 2 1 1 11 GLY H . 11 GLY HN 1 1 227 1 1 1 1 10 LYS QG . 10 LYS+ HG3 1 1 227 1 2 1 1 11 GLY QA . 11 GLY HA2 1 1 228 1 1 1 1 10 LYS QG . 10 LYS+ HG3 1 1 228 1 2 1 1 12 ASN QD . 12 ASN HD22 1 1 229 1 1 1 1 10 LYS QG . 10 LYS+ HG3 1 1 229 1 2 1 1 41 LYS QB . 41 LYS+ HB3 1 1 230 1 1 1 1 10 LYS QG . 10 LYS+ HG3 1 1 230 1 2 1 1 66 HIS HA . 66 HIS HA 1 1 231 1 1 1 1 10 LYS QG . 10 LYS+ HG3 1 1 231 1 2 1 1 66 HIS HB2 . 66 HIS HB3 1 1 232 1 1 1 1 10 LYS QG . 10 LYS+ HG3 1 1 232 1 2 1 1 66 HIS HB3 . 66 HIS HB2 1 1 233 1 1 1 1 10 LYS QG . 10 LYS+ HG3 1 1 233 1 2 1 1 66 HIS HD1 . 66 HIS HD1 1 1 234 1 1 1 1 10 LYS QG . 10 LYS+ HG3 1 1 234 1 2 1 1 66 HIS HE1 . 66 HIS HE1 1 1 235 1 1 1 1 11 GLY H . 11 GLY HN 1 1 235 1 2 1 1 12 ASN H . 12 ASN HN 1 1 236 1 1 1 1 11 GLY H . 11 GLY HN 1 1 236 1 2 1 1 12 ASN HA . 12 ASN HA 1 1 237 1 1 1 1 11 GLY H . 11 GLY HN 1 1 237 1 2 1 1 13 VAL H . 13 VAL HN 1 1 238 1 1 1 1 11 GLY H . 11 GLY HN 1 1 238 1 2 1 1 13 VAL MG2 . 13 VAL QG2 1 1 239 1 1 1 1 11 GLY H . 11 GLY HN 1 1 239 1 2 1 1 66 HIS HA . 66 HIS HA 1 1 240 1 1 1 1 11 GLY H . 11 GLY HN 1 1 240 1 2 1 1 66 HIS HB2 . 66 HIS HB3 1 1 241 1 1 1 1 11 GLY H . 11 GLY HN 1 1 241 1 2 1 1 66 HIS HD1 . 66 HIS HD1 1 1 242 1 1 1 1 11 GLY H . 11 GLY HN 1 1 242 1 2 1 1 66 HIS HE1 . 66 HIS HE1 1 1 243 1 1 1 1 11 GLY H . 11 GLY HN 1 1 243 1 2 1 1 67 ILE H . 67 ILE HN 1 1 244 1 1 1 1 11 GLY QA . 11 GLY HA1 1 1 244 1 2 1 1 12 ASN H . 12 ASN HN 1 1 245 1 1 1 1 11 GLY QA . 11 GLY HA2 1 1 245 1 2 1 1 12 ASN HB2 . 12 ASN HB2 1 1 246 1 1 1 1 11 GLY QA . 11 GLY HA1 1 1 246 1 2 1 1 12 ASN HB3 . 12 ASN HB3 1 1 247 1 1 1 1 11 GLY QA . 11 GLY HA1 1 1 247 1 2 1 1 66 HIS HA . 66 HIS HA 1 1 248 1 1 1 1 11 GLY QA . 11 GLY HA1 1 1 248 1 2 1 1 67 ILE H . 67 ILE HN 1 1 249 1 1 1 1 11 GLY QA . 11 GLY HA2 1 1 249 1 2 1 1 67 ILE HB . 67 ILE HB 1 1 250 1 1 1 1 11 GLY QA . 11 GLY HA2 1 1 250 1 2 1 1 67 ILE MG . 67 ILE QG2 1 1 251 1 1 1 1 11 GLY QA . 11 GLY HA1 1 1 251 1 2 1 1 68 LYS H . 68 LYS+ HN 1 1 252 1 1 1 1 11 GLY QA . 11 GLY HA1 1 1 252 1 2 1 1 68 LYS QG . 68 LYS+ QG 1 1 253 1 1 1 1 12 ASN H . 12 ASN HN 1 1 253 1 2 1 1 12 ASN HB2 . 12 ASN HB2 1 1 254 1 1 1 1 12 ASN H . 12 ASN HN 1 1 254 1 2 1 1 12 ASN HB3 . 12 ASN HB3 1 1 255 1 1 1 1 12 ASN H . 12 ASN HN 1 1 255 1 2 1 1 13 VAL H . 13 VAL HN 1 1 256 1 1 1 1 12 ASN H . 12 ASN HN 1 1 256 1 2 1 1 13 VAL MG2 . 13 VAL QG2 1 1 257 1 1 1 1 12 ASN H . 12 ASN HN 1 1 257 1 2 1 1 67 ILE H . 67 ILE HN 1 1 258 1 1 1 1 12 ASN H . 12 ASN HN 1 1 258 1 2 1 1 67 ILE HB . 67 ILE HB 1 1 259 1 1 1 1 12 ASN HA . 12 ASN HA 1 1 259 1 2 1 1 13 VAL H . 13 VAL HN 1 1 260 1 1 1 1 12 ASN HA . 12 ASN HA 1 1 260 1 2 1 1 13 VAL HA . 13 VAL HA 1 1 261 1 1 1 1 12 ASN HA . 12 ASN HA 1 1 261 1 2 1 1 13 VAL MG1 . 13 VAL QG1 1 1 262 1 1 1 1 12 ASN HA . 12 ASN HA 1 1 262 1 2 1 1 13 VAL MG2 . 13 VAL QG2 1 1 263 1 1 1 1 12 ASN HB2 . 12 ASN HB2 1 1 263 1 2 1 1 13 VAL H . 13 VAL HN 1 1 264 1 1 1 1 12 ASN HB3 . 12 ASN HB3 1 1 264 1 2 1 1 13 VAL H . 13 VAL HN 1 1 265 1 1 1 1 12 ASN QD . 12 ASN HD21 1 1 265 1 2 1 1 13 VAL H . 13 VAL HN 1 1 266 1 1 1 1 13 VAL H . 13 VAL HN 1 1 266 1 2 1 1 13 VAL HB . 13 VAL HB 1 1 267 1 1 1 1 13 VAL H . 13 VAL HN 1 1 267 1 2 1 1 14 THR H . 14 THR HN 1 1 268 1 1 1 1 13 VAL H . 13 VAL HN 1 1 268 1 2 1 1 66 HIS HD1 . 66 HIS HD1 1 1 269 1 1 1 1 13 VAL HA . 13 VAL HA 1 1 269 1 2 1 1 14 THR H . 14 THR HN 1 1 270 1 1 1 1 13 VAL HA . 13 VAL HA 1 1 270 1 2 1 1 14 THR HB . 14 THR HB 1 1 271 1 1 1 1 13 VAL HA . 13 VAL HA 1 1 271 1 2 1 1 67 ILE H . 67 ILE HN 1 1 272 1 1 1 1 13 VAL HA . 13 VAL HA 1 1 272 1 2 1 1 67 ILE QG . 67 ILE QG1 1 1 273 1 1 1 1 13 VAL HB . 13 VAL HB 1 1 273 1 2 1 1 14 THR H . 14 THR HN 1 1 274 1 1 1 1 13 VAL MG1 . 13 VAL QG1 1 1 274 1 2 1 1 14 THR H . 14 THR HN 1 1 275 1 1 1 1 13 VAL MG1 . 13 VAL QG1 1 1 275 1 2 1 1 65 CYS H . 65 CYSS HN 1 1 276 1 1 1 1 13 VAL MG1 . 13 VAL QG1 1 1 276 1 2 1 1 65 CYS HA . 65 CYSS HA 1 1 277 1 1 1 1 13 VAL MG1 . 13 VAL QG1 1 1 277 1 2 1 1 66 HIS H . 66 HIS HN 1 1 278 1 1 1 1 13 VAL MG1 . 13 VAL QG1 1 1 278 1 2 1 1 66 HIS HA . 66 HIS HA 1 1 279 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1 279 1 2 1 1 14 THR H . 14 THR HN 1 1 280 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1 280 1 2 1 1 65 CYS H . 65 CYSS HN 1 1 281 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1 281 1 2 1 1 65 CYS HB2 . 65 CYSS HB2 1 1 282 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1 282 1 2 1 1 66 HIS H . 66 HIS HN 1 1 283 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1 283 1 2 1 1 66 HIS HA . 66 HIS HA 1 1 284 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1 284 1 2 1 1 66 HIS HD1 . 66 HIS HD1 1 1 285 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1 285 1 2 1 1 66 HIS HE1 . 66 HIS HE1 1 1 286 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1 286 1 2 1 1 67 ILE H . 67 ILE HN 1 1 287 1 1 1 1 14 THR H . 14 THR HN 1 1 287 1 2 1 1 14 THR HB . 14 THR HB 1 1 288 1 1 1 1 14 THR H . 14 THR HN 1 1 288 1 2 1 1 15 PHE CZ . 15 PHE CZ 1 1 289 1 1 1 1 14 THR H . 14 THR HN 1 1 289 1 2 1 1 15 PHE H . 15 PHE HN 1 1 290 1 1 1 1 14 THR H . 14 THR HN 1 1 290 1 2 1 1 66 HIS HA . 66 HIS HA 1 1 291 1 1 1 1 14 THR H . 14 THR HN 1 1 291 1 2 1 1 67 ILE H . 67 ILE HN 1 1 292 1 1 1 1 14 THR H . 14 THR HN 1 1 292 1 2 1 1 67 ILE MD . 67 ILE QD1 1 1 293 1 1 1 1 14 THR H . 14 THR HN 1 1 293 1 2 1 1 67 ILE MG . 67 ILE QG2 1 1 294 1 1 1 1 14 THR HA . 14 THR HA 1 1 294 1 2 1 1 15 PHE CG . 15 PHE CG 1 1 295 1 1 1 1 14 THR HA . 14 THR HA 1 1 295 1 2 1 1 15 PHE H . 15 PHE HN 1 1 296 1 1 1 1 14 THR HB . 14 THR HB 1 1 296 1 2 1 1 15 PHE H . 15 PHE HN 1 1 297 1 1 1 1 14 THR HB . 14 THR HB 1 1 297 1 2 1 1 67 ILE H . 67 ILE HN 1 1 298 1 1 1 1 14 THR MG . 14 THR QG2 1 1 298 1 2 1 1 15 PHE H . 15 PHE HN 1 1 299 1 1 1 1 15 PHE CG . 15 PHE CG 1 1 299 1 2 1 1 16 ASP H . 16 ASP- HN 1 1 300 1 1 1 1 15 PHE CZ . 15 PHE CZ 1 1 300 1 2 1 1 15 PHE H . 15 PHE HN 1 1 301 1 1 1 1 15 PHE CZ . 15 PHE CZ 1 1 301 1 2 1 1 37 ILE H . 37 ILE HN 1 1 302 1 1 1 1 15 PHE CZ . 15 PHE CZ 1 1 302 1 2 1 1 37 ILE HB . 37 ILE HB 1 1 303 1 1 1 1 15 PHE CZ . 15 PHE CZ 1 1 303 1 2 1 1 37 ILE QG . 37 ILE HG13 1 1 304 1 1 1 1 15 PHE CZ . 15 PHE CZ 1 1 304 1 2 1 1 38 ALA HA . 38 ALA HA 1 1 305 1 1 1 1 15 PHE CZ . 15 PHE CZ 1 1 305 1 2 1 1 39 ILE HB . 39 ILE HB 1 1 306 1 1 1 1 15 PHE CZ . 15 PHE CZ 1 1 306 1 2 1 1 39 ILE MD . 39 ILE QD1 1 1 307 1 1 1 1 15 PHE CZ . 15 PHE CZ 1 1 307 1 2 1 1 39 ILE QG . 39 ILE HG12 1 1 308 1 1 1 1 15 PHE CZ . 15 PHE CZ 1 1 308 1 2 1 1 39 ILE MG . 39 ILE QG2 1 1 309 1 1 1 1 15 PHE H . 15 PHE HN 1 1 309 1 2 1 1 16 ASP H . 16 ASP- HN 1 1 310 1 1 1 1 15 PHE QB . 15 PHE HB2 1 1 310 1 2 1 1 16 ASP H . 16 ASP- HN 1 1 311 1 1 1 1 15 PHE HZ . 15 PHE HZ 1 1 311 1 2 1 1 37 ILE H . 37 ILE HN 1 1 312 1 1 1 1 15 PHE HZ . 15 PHE HZ 1 1 312 1 2 1 1 39 ILE MG . 39 ILE QG2 1 1 313 1 1 1 1 16 ASP H . 16 ASP- HN 1 1 313 1 2 1 1 17 HIS H . 17 HIS HN 1 1 314 1 1 1 1 16 ASP HB2 . 16 ASP- HB2 1 1 314 1 2 1 1 17 HIS H . 17 HIS HN 1 1 315 1 1 1 1 16 ASP HB2 . 16 ASP- HB2 1 1 315 1 2 1 1 19 ALA MB . 19 ALA QB 1 1 316 1 1 1 1 16 ASP HB3 . 16 ASP- HB3 1 1 316 1 2 1 1 17 HIS H . 17 HIS HN 1 1 317 1 1 1 1 16 ASP HB3 . 16 ASP- HB3 1 1 317 1 2 1 1 19 ALA H . 19 ALA HN 1 1 318 1 1 1 1 16 ASP HB3 . 16 ASP- HB3 1 1 318 1 2 1 1 19 ALA MB . 19 ALA QB 1 1 319 1 1 1 1 16 ASP HB3 . 16 ASP- HB3 1 1 319 1 2 1 1 20 HIS H . 20 HIS HN 1 1 320 1 1 1 1 17 HIS H . 17 HIS HN 1 1 320 1 2 1 1 17 HIS HB2 . 17 HIS HB2 1 1 321 1 1 1 1 17 HIS H . 17 HIS HN 1 1 321 1 2 1 1 17 HIS HB3 . 17 HIS HB3 1 1 322 1 1 1 1 17 HIS H . 17 HIS HN 1 1 322 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1 323 1 1 1 1 17 HIS H . 17 HIS HN 1 1 323 1 2 1 1 18 LYS HA . 18 LYS+ HA 1 1 324 1 1 1 1 17 HIS H . 17 HIS HN 1 1 324 1 2 1 1 19 ALA H . 19 ALA HN 1 1 325 1 1 1 1 17 HIS H . 17 HIS HN 1 1 325 1 2 1 1 19 ALA MB . 19 ALA QB 1 1 326 1 1 1 1 17 HIS H . 17 HIS HN 1 1 326 1 2 1 1 20 HIS H . 20 HIS HN 1 1 327 1 1 1 1 17 HIS HA . 17 HIS HA 1 1 327 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1 328 1 1 1 1 17 HIS HB2 . 17 HIS HB2 1 1 328 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1 329 1 1 1 1 17 HIS HB3 . 17 HIS HB3 1 1 329 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1 330 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1 330 1 2 1 1 18 LYS QB . 18 LYS+ HB2 1 1 331 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1 331 1 2 1 1 18 LYS QD . 18 LYS+ HD2 1 1 332 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1 332 1 2 1 1 18 LYS QG . 18 LYS+ HG2 1 1 333 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1 333 1 2 1 1 19 ALA H . 19 ALA HN 1 1 334 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1 334 1 2 1 1 19 ALA MB . 19 ALA QB 1 1 335 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1 335 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 336 1 1 1 1 18 LYS HA . 18 LYS+ HA 1 1 336 1 2 1 1 18 LYS QD . 18 LYS+ HD3 1 1 337 1 1 1 1 18 LYS HA . 18 LYS+ HA 1 1 337 1 2 1 1 18 LYS QG . 18 LYS+ HG2 1 1 338 1 1 1 1 18 LYS HA . 18 LYS+ HA 1 1 338 1 2 1 1 19 ALA H . 19 ALA HN 1 1 339 1 1 1 1 18 LYS HA . 18 LYS+ HA 1 1 339 1 2 1 1 20 HIS H . 20 HIS HN 1 1 340 1 1 1 1 18 LYS HA . 18 LYS+ HA 1 1 340 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 341 1 1 1 1 18 LYS HA . 18 LYS+ HA 1 1 341 1 2 1 1 22 GLU H . 22 GLU- HN 1 1 342 1 1 1 1 18 LYS QB . 18 LYS+ HB2 1 1 342 1 2 1 1 18 LYS QD . 18 LYS+ HD3 1 1 343 1 1 1 1 18 LYS QB . 18 LYS+ HB2 1 1 343 1 2 1 1 19 ALA H . 19 ALA HN 1 1 344 1 1 1 1 18 LYS QD . 18 LYS+ HD3 1 1 344 1 2 1 1 19 ALA H . 19 ALA HN 1 1 345 1 1 1 1 18 LYS QG . 18 LYS+ HG2 1 1 345 1 2 1 1 19 ALA H . 19 ALA HN 1 1 346 1 1 1 1 18 LYS QG . 18 LYS+ HG2 1 1 346 1 2 1 1 19 ALA HA . 19 ALA HA 1 1 347 1 1 1 1 19 ALA H . 19 ALA HN 1 1 347 1 2 1 1 19 ALA MB . 19 ALA QB 1 1 348 1 1 1 1 19 ALA H . 19 ALA HN 1 1 348 1 2 1 1 20 HIS H . 20 HIS HN 1 1 349 1 1 1 1 19 ALA H . 19 ALA HN 1 1 349 1 2 1 1 20 HIS HA . 20 HIS HA 1 1 350 1 1 1 1 19 ALA H . 19 ALA HN 1 1 350 1 2 1 1 20 HIS HD1 . 20 HIS HD1 1 1 351 1 1 1 1 19 ALA H . 19 ALA HN 1 1 351 1 2 1 1 21 ALA H . 21 ALA HN 1 1 352 1 1 1 1 19 ALA HA . 19 ALA HA 1 1 352 1 2 1 1 20 HIS H . 20 HIS HN 1 1 353 1 1 1 1 19 ALA HA . 19 ALA HA 1 1 353 1 2 1 1 20 HIS HA . 20 HIS HA 1 1 354 1 1 1 1 19 ALA HA . 19 ALA HA 1 1 354 1 2 1 1 21 ALA H . 21 ALA HN 1 1 355 1 1 1 1 19 ALA HA . 19 ALA HA 1 1 355 1 2 1 1 22 GLU H . 22 GLU- HN 1 1 356 1 1 1 1 19 ALA HA . 19 ALA HA 1 1 356 1 2 1 1 22 GLU QB . 22 GLU- HB2 1 1 357 1 1 1 1 19 ALA HA . 19 ALA HA 1 1 357 1 2 1 1 22 GLU HG2 . 22 GLU- HG2 1 1 358 1 1 1 1 19 ALA HA . 19 ALA HA 1 1 358 1 2 1 1 22 GLU QG . 22 GLU- QG 1 1 359 1 1 1 1 19 ALA HA . 19 ALA HA 1 1 359 1 2 1 1 22 GLU HG3 . 22 GLU- HG3 1 1 360 1 1 1 1 19 ALA HA . 19 ALA HA 1 1 360 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1 361 1 1 1 1 19 ALA MB . 19 ALA QB 1 1 361 1 2 1 1 20 HIS H . 20 HIS HN 1 1 362 1 1 1 1 19 ALA MB . 19 ALA QB 1 1 362 1 2 1 1 20 HIS HD1 . 20 HIS HD1 1 1 363 1 1 1 1 19 ALA MB . 19 ALA QB 1 1 363 1 2 1 1 21 ALA H . 21 ALA HN 1 1 364 1 1 1 1 19 ALA MB . 19 ALA QB 1 1 364 1 2 1 1 22 GLU H . 22 GLU- HN 1 1 365 1 1 1 1 20 HIS H . 20 HIS HN 1 1 365 1 2 1 1 20 HIS HD1 . 20 HIS HD1 1 1 366 1 1 1 1 20 HIS H . 20 HIS HN 1 1 366 1 2 1 1 21 ALA H . 21 ALA HN 1 1 367 1 1 1 1 20 HIS H . 20 HIS HN 1 1 367 1 2 1 1 21 ALA HA . 21 ALA HA 1 1 368 1 1 1 1 20 HIS H . 20 HIS HN 1 1 368 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 369 1 1 1 1 20 HIS H . 20 HIS HN 1 1 369 1 2 1 1 22 GLU H . 22 GLU- HN 1 1 370 1 1 1 1 20 HIS HA . 20 HIS HA 1 1 370 1 2 1 1 21 ALA H . 21 ALA HN 1 1 371 1 1 1 1 20 HIS HA . 20 HIS HA 1 1 371 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1 372 1 1 1 1 20 HIS HA . 20 HIS HA 1 1 372 1 2 1 1 23 LYS HB2 . 23 LYS+ HB3 1 1 373 1 1 1 1 20 HIS HA . 20 HIS HA 1 1 373 1 2 1 1 23 LYS HB3 . 23 LYS+ HB2 1 1 374 1 1 1 1 20 HIS HA . 20 HIS HA 1 1 374 1 2 1 1 23 LYS QG . 23 LYS+ HG3 1 1 375 1 1 1 1 20 HIS HA . 20 HIS HA 1 1 375 1 2 1 1 24 LEU H . 24 LEU HN 1 1 376 1 1 1 1 20 HIS HA . 20 HIS HA 1 1 376 1 2 1 1 24 LEU MD1 . 24 LEU QD1 1 1 377 1 1 1 1 20 HIS QB . 20 HIS QB 1 1 377 1 2 1 1 21 ALA H . 21 ALA HN 1 1 378 1 1 1 1 20 HIS QB . 20 HIS QB 1 1 378 1 2 1 1 22 GLU H . 22 GLU- HN 1 1 379 1 1 1 1 20 HIS HB3 . 20 HIS HB3 1 1 379 1 2 1 1 21 ALA H . 21 ALA HN 1 1 380 1 1 1 1 20 HIS HD1 . 20 HIS HD1 1 1 380 1 2 1 1 21 ALA H . 21 ALA HN 1 1 381 1 1 1 1 20 HIS HD1 . 20 HIS HD1 1 1 381 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 382 1 1 1 1 21 ALA H . 21 ALA HN 1 1 382 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 383 1 1 1 1 21 ALA H . 21 ALA HN 1 1 383 1 2 1 1 22 GLU H . 22 GLU- HN 1 1 384 1 1 1 1 21 ALA H . 21 ALA HN 1 1 384 1 2 1 1 22 GLU HG2 . 22 GLU- HG2 1 1 385 1 1 1 1 21 ALA H . 21 ALA HN 1 1 385 1 2 1 1 22 GLU QG . 22 GLU- QG 1 1 386 1 1 1 1 21 ALA H . 21 ALA HN 1 1 386 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1 387 1 1 1 1 21 ALA H . 21 ALA HN 1 1 387 1 2 1 1 24 LEU H . 24 LEU HN 1 1 388 1 1 1 1 21 ALA H . 21 ALA HN 1 1 388 1 2 1 1 25 GLY H . 25 GLY HN 1 1 389 1 1 1 1 21 ALA HA . 21 ALA HA 1 1 389 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1 390 1 1 1 1 21 ALA HA . 21 ALA HA 1 1 390 1 2 1 1 24 LEU H . 24 LEU HN 1 1 391 1 1 1 1 21 ALA HA . 21 ALA HA 1 1 391 1 2 1 1 24 LEU MD1 . 24 LEU QD1 1 1 392 1 1 1 1 21 ALA HA . 21 ALA HA 1 1 392 1 2 1 1 25 GLY H . 25 GLY HN 1 1 393 1 1 1 1 21 ALA HA . 21 ALA HA 1 1 393 1 2 1 1 26 CYS H . 26 CYSS HN 1 1 394 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 394 1 2 1 1 22 GLU H . 22 GLU- HN 1 1 395 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 395 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1 396 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 396 1 2 1 1 24 LEU H . 24 LEU HN 1 1 397 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 397 1 2 1 1 25 GLY H . 25 GLY HN 1 1 398 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 398 1 2 1 1 25 GLY HA3 . 25 GLY HA2 1 1 399 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 399 1 2 1 1 26 CYS H . 26 CYSS HN 1 1 400 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 400 1 2 1 1 26 CYS HA . 26 CYSS HA 1 1 401 1 1 1 1 22 GLU H . 22 GLU- HN 1 1 401 1 2 1 1 22 GLU QB . 22 GLU- HB2 1 1 402 1 1 1 1 22 GLU H . 22 GLU- HN 1 1 402 1 2 1 1 22 GLU HG2 . 22 GLU- HG2 1 1 403 1 1 1 1 22 GLU H . 22 GLU- HN 1 1 403 1 2 1 1 22 GLU QG . 22 GLU- QG 1 1 404 1 1 1 1 22 GLU H . 22 GLU- HN 1 1 404 1 2 1 1 22 GLU HG3 . 22 GLU- HG3 1 1 405 1 1 1 1 22 GLU H . 22 GLU- HN 1 1 405 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1 406 1 1 1 1 22 GLU H . 22 GLU- HN 1 1 406 1 2 1 1 23 LYS HA . 23 LYS+ HA 1 1 407 1 1 1 1 22 GLU H . 22 GLU- HN 1 1 407 1 2 1 1 24 LEU H . 24 LEU HN 1 1 408 1 1 1 1 22 GLU H . 22 GLU- HN 1 1 408 1 2 1 1 25 GLY H . 25 GLY HN 1 1 409 1 1 1 1 22 GLU HA . 22 GLU- HA 1 1 409 1 2 1 1 22 GLU HG2 . 22 GLU- HG2 1 1 410 1 1 1 1 22 GLU HA . 22 GLU- HA 1 1 410 1 2 1 1 22 GLU HG3 . 22 GLU- HG3 1 1 411 1 1 1 1 22 GLU HA . 22 GLU- HA 1 1 411 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1 412 1 1 1 1 22 GLU QB . 22 GLU- HB2 1 1 412 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1 413 1 1 1 1 22 GLU QB . 22 GLU- HB2 1 1 413 1 2 1 1 23 LYS QG . 23 LYS+ HG2 1 1 414 1 1 1 1 22 GLU HG2 . 22 GLU- HG2 1 1 414 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1 415 1 1 1 1 22 GLU HG3 . 22 GLU- HG3 1 1 415 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1 416 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 416 1 2 1 1 23 LYS HB2 . 23 LYS+ HB3 1 1 417 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 417 1 2 1 1 23 LYS HB3 . 23 LYS+ HB2 1 1 418 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 418 1 2 1 1 23 LYS QD . 23 LYS+ HD2 1 1 419 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 419 1 2 1 1 23 LYS QE . 23 LYS+ QE 1 1 420 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 420 1 2 1 1 23 LYS QG . 23 LYS+ HG2 1 1 421 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 421 1 2 1 1 24 LEU H . 24 LEU HN 1 1 422 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 422 1 2 1 1 24 LEU HA . 24 LEU HA 1 1 423 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 423 1 2 1 1 24 LEU QB . 24 LEU QB 1 1 424 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 424 1 2 1 1 24 LEU MD1 . 24 LEU QD1 1 1 425 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 425 1 2 1 1 25 GLY H . 25 GLY HN 1 1 426 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1 426 1 2 1 1 23 LYS QD . 23 LYS+ HD2 1 1 427 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1 427 1 2 1 1 23 LYS QG . 23 LYS+ HG2 1 1 428 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1 428 1 2 1 1 24 LEU H . 24 LEU HN 1 1 429 1 1 1 1 23 LYS HB2 . 23 LYS+ HB3 1 1 429 1 2 1 1 24 LEU H . 24 LEU HN 1 1 430 1 1 1 1 23 LYS HB3 . 23 LYS+ HB2 1 1 430 1 2 1 1 23 LYS QD . 23 LYS+ HD2 1 1 431 1 1 1 1 23 LYS QD . 23 LYS+ HD2 1 1 431 1 2 1 1 24 LEU H . 24 LEU HN 1 1 432 1 1 1 1 23 LYS QG . 23 LYS+ HG3 1 1 432 1 2 1 1 24 LEU H . 24 LEU HN 1 1 433 1 1 1 1 24 LEU H . 24 LEU HN 1 1 433 1 2 1 1 24 LEU MD2 . 24 LEU QD2 1 1 434 1 1 1 1 24 LEU H . 24 LEU HN 1 1 434 1 2 1 1 24 LEU HG . 24 LEU HG 1 1 435 1 1 1 1 24 LEU H . 24 LEU HN 1 1 435 1 2 1 1 25 GLY H . 25 GLY HN 1 1 436 1 1 1 1 24 LEU H . 24 LEU HN 1 1 436 1 2 1 1 25 GLY HA3 . 25 GLY HA2 1 1 437 1 1 1 1 24 LEU H . 24 LEU HN 1 1 437 1 2 1 1 26 CYS H . 26 CYSS HN 1 1 438 1 1 1 1 24 LEU HA . 24 LEU HA 1 1 438 1 2 1 1 24 LEU MD2 . 24 LEU QD2 1 1 439 1 1 1 1 24 LEU HA . 24 LEU HA 1 1 439 1 2 1 1 24 LEU HG . 24 LEU HG 1 1 440 1 1 1 1 24 LEU HA . 24 LEU HA 1 1 440 1 2 1 1 25 GLY H . 25 GLY HN 1 1 441 1 1 1 1 24 LEU HA . 24 LEU HA 1 1 441 1 2 1 1 28 ALA MB . 28 ALA QB 1 1 442 1 1 1 1 24 LEU QB . 24 LEU QB 1 1 442 1 2 1 1 25 GLY H . 25 GLY HN 1 1 443 1 1 1 1 24 LEU QB . 24 LEU QB 1 1 443 1 2 1 1 25 GLY HA3 . 25 GLY HA2 1 1 444 1 1 1 1 24 LEU MD1 . 24 LEU QD1 1 1 444 1 2 1 1 25 GLY H . 25 GLY HN 1 1 445 1 1 1 1 24 LEU MD1 . 24 LEU QD1 1 1 445 1 2 1 1 28 ALA MB . 28 ALA QB 1 1 446 1 1 1 1 24 LEU MD1 . 24 LEU QD1 1 1 446 1 2 1 1 29 CYS H . 29 CYSS HN 1 1 447 1 1 1 1 25 GLY H . 25 GLY HN 1 1 447 1 2 1 1 26 CYS H . 26 CYSS HN 1 1 448 1 1 1 1 25 GLY H . 25 GLY HN 1 1 448 1 2 1 1 26 CYS HA . 26 CYSS HA 1 1 449 1 1 1 1 25 GLY H . 25 GLY HN 1 1 449 1 2 1 1 27 ASP H . 27 ASP- HN 1 1 450 1 1 1 1 25 GLY HA2 . 25 GLY HA1 1 1 450 1 2 1 1 26 CYS H . 26 CYSS HN 1 1 451 1 1 1 1 25 GLY HA2 . 25 GLY HA1 1 1 451 1 2 1 1 27 ASP H . 27 ASP- HN 1 1 452 1 1 1 1 25 GLY HA2 . 25 GLY HA1 1 1 452 1 2 1 1 28 ALA H . 28 ALA HN 1 1 453 1 1 1 1 25 GLY HA3 . 25 GLY HA2 1 1 453 1 2 1 1 26 CYS H . 26 CYSS HN 1 1 454 1 1 1 1 25 GLY HA3 . 25 GLY HA2 1 1 454 1 2 1 1 27 ASP H . 27 ASP- HN 1 1 455 1 1 1 1 25 GLY HA3 . 25 GLY HA2 1 1 455 1 2 1 1 28 ALA H . 28 ALA HN 1 1 456 1 1 1 1 26 CYS H . 26 CYSS HN 1 1 456 1 2 1 1 27 ASP H . 27 ASP- HN 1 1 457 1 1 1 1 26 CYS H . 26 CYSS HN 1 1 457 1 2 1 1 28 ALA H . 28 ALA HN 1 1 458 1 1 1 1 26 CYS H . 26 CYSS HN 1 1 458 1 2 1 1 28 ALA MB . 28 ALA QB 1 1 459 1 1 1 1 26 CYS HA . 26 CYSS HA 1 1 459 1 2 1 1 27 ASP H . 27 ASP- HN 1 1 460 1 1 1 1 26 CYS HA . 26 CYSS HA 1 1 460 1 2 1 1 28 ALA H . 28 ALA HN 1 1 461 1 1 1 1 26 CYS HA . 26 CYSS HA 1 1 461 1 2 1 1 28 ALA MB . 28 ALA QB 1 1 462 1 1 1 1 26 CYS HA . 26 CYSS HA 1 1 462 1 2 1 1 29 CYS H . 29 CYSS HN 1 1 463 1 1 1 1 26 CYS HA . 26 CYSS HA 1 1 463 1 2 1 1 29 CYS HB3 . 29 CYSS HB3 1 1 464 1 1 1 1 26 CYS HA . 26 CYSS HA 1 1 464 1 2 1 1 30 HIS H . 30 HIS HN 1 1 465 1 1 1 1 26 CYS HB3 . 26 CYSS HB3 1 1 465 1 2 1 1 27 ASP H . 27 ASP- HN 1 1 466 1 1 1 1 27 ASP H . 27 ASP- HN 1 1 466 1 2 1 1 27 ASP QB . 27 ASP- HB2 1 1 467 1 1 1 1 27 ASP H . 27 ASP- HN 1 1 467 1 2 1 1 28 ALA H . 28 ALA HN 1 1 468 1 1 1 1 27 ASP H . 27 ASP- HN 1 1 468 1 2 1 1 28 ALA HA . 28 ALA HA 1 1 469 1 1 1 1 27 ASP H . 27 ASP- HN 1 1 469 1 2 1 1 28 ALA MB . 28 ALA QB 1 1 470 1 1 1 1 27 ASP H . 27 ASP- HN 1 1 470 1 2 1 1 29 CYS H . 29 CYSS HN 1 1 471 1 1 1 1 27 ASP HA . 27 ASP- HA 1 1 471 1 2 1 1 28 ALA H . 28 ALA HN 1 1 472 1 1 1 1 27 ASP HA . 27 ASP- HA 1 1 472 1 2 1 1 29 CYS H . 29 CYSS HN 1 1 473 1 1 1 1 27 ASP HA . 27 ASP- HA 1 1 473 1 2 1 1 30 HIS H . 30 HIS HN 1 1 474 1 1 1 1 27 ASP HA . 27 ASP- HA 1 1 474 1 2 1 1 30 HIS HB3 . 30 HIS HB2 1 1 475 1 1 1 1 27 ASP HA . 27 ASP- HA 1 1 475 1 2 1 1 31 GLU HA . 31 GLU- HA 1 1 476 1 1 1 1 27 ASP QB . 27 ASP- HB2 1 1 476 1 2 1 1 28 ALA H . 28 ALA HN 1 1 477 1 1 1 1 27 ASP QB . 27 ASP- HB2 1 1 477 1 2 1 1 29 CYS H . 29 CYSS HN 1 1 478 1 1 1 1 27 ASP QB . 27 ASP- HB3 1 1 478 1 2 1 1 31 GLU QG . 31 GLU- HG3 1 1 479 1 1 1 1 28 ALA H . 28 ALA HN 1 1 479 1 2 1 1 28 ALA MB . 28 ALA QB 1 1 480 1 1 1 1 28 ALA H . 28 ALA HN 1 1 480 1 2 1 1 29 CYS H . 29 CYSS HN 1 1 481 1 1 1 1 28 ALA H . 28 ALA HN 1 1 481 1 2 1 1 30 HIS H . 30 HIS HN 1 1 482 1 1 1 1 28 ALA HA . 28 ALA HA 1 1 482 1 2 1 1 29 CYS H . 29 CYSS HN 1 1 483 1 1 1 1 28 ALA HA . 28 ALA HA 1 1 483 1 2 1 1 30 HIS H . 30 HIS HN 1 1 484 1 1 1 1 28 ALA MB . 28 ALA QB 1 1 484 1 2 1 1 29 CYS H . 29 CYSS HN 1 1 485 1 1 1 1 28 ALA MB . 28 ALA QB 1 1 485 1 2 1 1 29 CYS HA . 29 CYSS HA 1 1 486 1 1 1 1 28 ALA MB . 28 ALA QB 1 1 486 1 2 1 1 30 HIS H . 30 HIS HN 1 1 487 1 1 1 1 29 CYS H . 29 CYSS HN 1 1 487 1 2 1 1 29 CYS HB3 . 29 CYSS HB3 1 1 488 1 1 1 1 29 CYS H . 29 CYSS HN 1 1 488 1 2 1 1 30 HIS H . 30 HIS HN 1 1 489 1 1 1 1 29 CYS H . 29 CYSS HN 1 1 489 1 2 1 1 30 HIS HA . 30 HIS HA 1 1 490 1 1 1 1 29 CYS H . 29 CYSS HN 1 1 490 1 2 1 1 31 GLU H . 31 GLU- HN 1 1 491 1 1 1 1 29 CYS H . 29 CYSS HN 1 1 491 1 2 1 1 37 ILE MD . 37 ILE QD1 1 1 492 1 1 1 1 29 CYS HA . 29 CYSS HA 1 1 492 1 2 1 1 30 HIS H . 30 HIS HN 1 1 493 1 1 1 1 29 CYS HA . 29 CYSS HA 1 1 493 1 2 1 1 37 ILE MD . 37 ILE QD1 1 1 494 1 1 1 1 29 CYS HB2 . 29 CYSS HB2 1 1 494 1 2 1 1 30 HIS H . 30 HIS HN 1 1 495 1 1 1 1 29 CYS HB2 . 29 CYSS HB2 1 1 495 1 2 1 1 37 ILE MD . 37 ILE QD1 1 1 496 1 1 1 1 29 CYS HB3 . 29 CYSS HB3 1 1 496 1 2 1 1 30 HIS H . 30 HIS HN 1 1 497 1 1 1 1 29 CYS HB3 . 29 CYSS HB3 1 1 497 1 2 1 1 37 ILE MD . 37 ILE QD1 1 1 498 1 1 1 1 30 HIS H . 30 HIS HN 1 1 498 1 2 1 1 30 HIS HB3 . 30 HIS HB2 1 1 499 1 1 1 1 30 HIS H . 30 HIS HN 1 1 499 1 2 1 1 30 HIS HD1 . 30 HIS HD1 1 1 500 1 1 1 1 30 HIS H . 30 HIS HN 1 1 500 1 2 1 1 31 GLU H . 31 GLU- HN 1 1 501 1 1 1 1 30 HIS H . 30 HIS HN 1 1 501 1 2 1 1 31 GLU HB3 . 31 GLU- HB3 1 1 502 1 1 1 1 30 HIS H . 30 HIS HN 1 1 502 1 2 1 1 37 ILE MD . 37 ILE QD1 1 1 503 1 1 1 1 30 HIS HA . 30 HIS HA 1 1 503 1 2 1 1 30 HIS HD1 . 30 HIS HD1 1 1 504 1 1 1 1 30 HIS HA . 30 HIS HA 1 1 504 1 2 1 1 31 GLU H . 31 GLU- HN 1 1 505 1 1 1 1 30 HIS HA . 30 HIS HA 1 1 505 1 2 1 1 31 GLU HA . 31 GLU- HA 1 1 506 1 1 1 1 30 HIS HA . 30 HIS HA 1 1 506 1 2 1 1 31 GLU HB2 . 31 GLU- HB2 1 1 507 1 1 1 1 30 HIS HA . 30 HIS HA 1 1 507 1 2 1 1 31 GLU HB3 . 31 GLU- HB3 1 1 508 1 1 1 1 30 HIS HA . 30 HIS HA 1 1 508 1 2 1 1 32 GLY H . 32 GLY HN 1 1 509 1 1 1 1 30 HIS HA . 30 HIS HA 1 1 509 1 2 1 1 34 PRO HA . 34 PRO HA 1 1 510 1 1 1 1 30 HIS HA . 30 HIS HA 1 1 510 1 2 1 1 34 PRO QG . 34 PRO HG2 1 1 511 1 1 1 1 30 HIS HA . 30 HIS HA 1 1 511 1 2 1 1 37 ILE MD . 37 ILE QD1 1 1 512 1 1 1 1 30 HIS HB2 . 30 HIS HB3 1 1 512 1 2 1 1 31 GLU H . 31 GLU- HN 1 1 513 1 1 1 1 30 HIS HB2 . 30 HIS HB3 1 1 513 1 2 1 1 34 PRO HA . 34 PRO HA 1 1 514 1 1 1 1 30 HIS HB2 . 30 HIS HB3 1 1 514 1 2 1 1 34 PRO HB3 . 34 PRO HB3 1 1 515 1 1 1 1 30 HIS HB3 . 30 HIS HB2 1 1 515 1 2 1 1 31 GLU H . 31 GLU- HN 1 1 516 1 1 1 1 30 HIS HB3 . 30 HIS HB2 1 1 516 1 2 1 1 31 GLU HA . 31 GLU- HA 1 1 517 1 1 1 1 30 HIS HB3 . 30 HIS HB2 1 1 517 1 2 1 1 34 PRO HA . 34 PRO HA 1 1 518 1 1 1 1 30 HIS HB3 . 30 HIS HB2 1 1 518 1 2 1 1 34 PRO QG . 34 PRO HG2 1 1 519 1 1 1 1 30 HIS HB3 . 30 HIS HB2 1 1 519 1 2 1 1 37 ILE MD . 37 ILE QD1 1 1 520 1 1 1 1 30 HIS HD1 . 30 HIS HD1 1 1 520 1 2 1 1 31 GLU H . 31 GLU- HN 1 1 521 1 1 1 1 30 HIS HD1 . 30 HIS HD1 1 1 521 1 2 1 1 34 PRO HA . 34 PRO HA 1 1 522 1 1 1 1 30 HIS HD1 . 30 HIS HD1 1 1 522 1 2 1 1 34 PRO HB2 . 34 PRO HB2 1 1 523 1 1 1 1 30 HIS HD1 . 30 HIS HD1 1 1 523 1 2 1 1 34 PRO HB3 . 34 PRO HB3 1 1 524 1 1 1 1 30 HIS HD1 . 30 HIS HD1 1 1 524 1 2 1 1 34 PRO QG . 34 PRO HG2 1 1 525 1 1 1 1 30 HIS HD1 . 30 HIS HD1 1 1 525 1 2 1 1 36 LYS H . 36 LYS+ HN 1 1 526 1 1 1 1 30 HIS HD1 . 30 HIS HD1 1 1 526 1 2 1 1 37 ILE MD . 37 ILE QD1 1 1 527 1 1 1 1 30 HIS HD1 . 30 HIS HD1 1 1 527 1 2 1 1 37 ILE QG . 37 ILE HG12 1 1 528 1 1 1 1 30 HIS HD1 . 30 HIS HD1 1 1 528 1 2 1 1 37 ILE MG . 37 ILE QG2 1 1 529 1 1 1 1 31 GLU H . 31 GLU- HN 1 1 529 1 2 1 1 31 GLU QG . 31 GLU- HG2 1 1 530 1 1 1 1 31 GLU H . 31 GLU- HN 1 1 530 1 2 1 1 32 GLY H . 32 GLY HN 1 1 531 1 1 1 1 31 GLU H . 31 GLU- HN 1 1 531 1 2 1 1 32 GLY HA2 . 32 GLY HA1 1 1 532 1 1 1 1 31 GLU H . 31 GLU- HN 1 1 532 1 2 1 1 33 THR H . 33 THR HN 1 1 533 1 1 1 1 31 GLU H . 31 GLU- HN 1 1 533 1 2 1 1 37 ILE MD . 37 ILE QD1 1 1 534 1 1 1 1 31 GLU HA . 31 GLU- HA 1 1 534 1 2 1 1 31 GLU QG . 31 GLU- HG2 1 1 535 1 1 1 1 31 GLU HA . 31 GLU- HA 1 1 535 1 2 1 1 32 GLY H . 32 GLY HN 1 1 536 1 1 1 1 31 GLU HB2 . 31 GLU- HB2 1 1 536 1 2 1 1 32 GLY H . 32 GLY HN 1 1 537 1 1 1 1 31 GLU HB3 . 31 GLU- HB3 1 1 537 1 2 1 1 32 GLY H . 32 GLY HN 1 1 538 1 1 1 1 31 GLU QG . 31 GLU- HG2 1 1 538 1 2 1 1 32 GLY H . 32 GLY HN 1 1 539 1 1 1 1 32 GLY H . 32 GLY HN 1 1 539 1 2 1 1 33 THR H . 33 THR HN 1 1 540 1 1 1 1 32 GLY HA2 . 32 GLY HA1 1 1 540 1 2 1 1 33 THR H . 33 THR HN 1 1 541 1 1 1 1 32 GLY HA3 . 32 GLY HA2 1 1 541 1 2 1 1 33 THR H . 33 THR HN 1 1 542 1 1 1 1 33 THR H . 33 THR HN 1 1 542 1 2 1 1 33 THR HB . 33 THR HB 1 1 543 1 1 1 1 33 THR H . 33 THR HN 1 1 543 1 2 1 1 34 PRO HD2 . 34 PRO HD2 1 1 544 1 1 1 1 34 PRO HA . 34 PRO HA 1 1 544 1 2 1 1 34 PRO HD2 . 34 PRO HD2 1 1 545 1 1 1 1 34 PRO HA . 34 PRO HA 1 1 545 1 2 1 1 35 ALA H . 35 ALA HN 1 1 546 1 1 1 1 34 PRO HA . 34 PRO HA 1 1 546 1 2 1 1 35 ALA MB . 35 ALA QB 1 1 547 1 1 1 1 34 PRO HA . 34 PRO HA 1 1 547 1 2 1 1 36 LYS H . 36 LYS+ HN 1 1 548 1 1 1 1 34 PRO HB2 . 34 PRO HB2 1 1 548 1 2 1 1 36 LYS H . 36 LYS+ HN 1 1 549 1 1 1 1 34 PRO QG . 34 PRO HG2 1 1 549 1 2 1 1 35 ALA H . 35 ALA HN 1 1 550 1 1 1 1 34 PRO QG . 34 PRO HG2 1 1 550 1 2 1 1 35 ALA MB . 35 ALA QB 1 1 551 1 1 1 1 34 PRO QG . 34 PRO HG2 1 1 551 1 2 1 1 36 LYS H . 36 LYS+ HN 1 1 552 1 1 1 1 36 LYS H . 36 LYS+ HN 1 1 552 1 2 1 1 36 LYS HB2 . 36 LYS+ HB2 1 1 553 1 1 1 1 36 LYS H . 36 LYS+ HN 1 1 553 1 2 1 1 36 LYS HE2 . 36 LYS+ HE3 1 1 554 1 1 1 1 36 LYS H . 36 LYS+ HN 1 1 554 1 2 1 1 36 LYS HE3 . 36 LYS+ HE2 1 1 555 1 1 1 1 36 LYS H . 36 LYS+ HN 1 1 555 1 2 1 1 36 LYS HG2 . 36 LYS+ HG2 1 1 556 1 1 1 1 36 LYS H . 36 LYS+ HN 1 1 556 1 2 1 1 36 LYS HG3 . 36 LYS+ HG3 1 1 557 1 1 1 1 36 LYS H . 36 LYS+ HN 1 1 557 1 2 1 1 37 ILE H . 37 ILE HN 1 1 558 1 1 1 1 36 LYS H . 36 LYS+ HN 1 1 558 1 2 1 1 37 ILE MD . 37 ILE QD1 1 1 559 1 1 1 1 36 LYS HA . 36 LYS+ HA 1 1 559 1 2 1 1 36 LYS HE2 . 36 LYS+ HE3 1 1 560 1 1 1 1 36 LYS HA . 36 LYS+ HA 1 1 560 1 2 1 1 36 LYS HE3 . 36 LYS+ HE2 1 1 561 1 1 1 1 36 LYS HA . 36 LYS+ HA 1 1 561 1 2 1 1 36 LYS HG2 . 36 LYS+ HG2 1 1 562 1 1 1 1 36 LYS HA . 36 LYS+ HA 1 1 562 1 2 1 1 36 LYS HG3 . 36 LYS+ HG3 1 1 563 1 1 1 1 36 LYS HA . 36 LYS+ HA 1 1 563 1 2 1 1 37 ILE QG . 37 ILE HG12 1 1 564 1 1 1 1 36 LYS HB2 . 36 LYS+ HB2 1 1 564 1 2 1 1 36 LYS HG3 . 36 LYS+ HG3 1 1 565 1 1 1 1 36 LYS HB2 . 36 LYS+ HB2 1 1 565 1 2 1 1 37 ILE H . 37 ILE HN 1 1 566 1 1 1 1 36 LYS HB3 . 36 LYS+ HB3 1 1 566 1 2 1 1 36 LYS HG2 . 36 LYS+ HG2 1 1 567 1 1 1 1 36 LYS HB3 . 36 LYS+ HB3 1 1 567 1 2 1 1 37 ILE H . 37 ILE HN 1 1 568 1 1 1 1 36 LYS QD . 36 LYS+ QD 1 1 568 1 2 1 1 37 ILE H . 37 ILE HN 1 1 569 1 1 1 1 36 LYS QD . 36 LYS+ QD 1 1 569 1 2 1 1 38 ALA H . 38 ALA HN 1 1 570 1 1 1 1 36 LYS HE2 . 36 LYS+ HE3 1 1 570 1 2 1 1 37 ILE H . 37 ILE HN 1 1 571 1 1 1 1 36 LYS HE3 . 36 LYS+ HE2 1 1 571 1 2 1 1 37 ILE H . 37 ILE HN 1 1 572 1 1 1 1 36 LYS HG2 . 36 LYS+ HG2 1 1 572 1 2 1 1 37 ILE H . 37 ILE HN 1 1 573 1 1 1 1 36 LYS HG3 . 36 LYS+ HG3 1 1 573 1 2 1 1 37 ILE H . 37 ILE HN 1 1 574 1 1 1 1 37 ILE H . 37 ILE HN 1 1 574 1 2 1 1 37 ILE HB . 37 ILE HB 1 1 575 1 1 1 1 37 ILE H . 37 ILE HN 1 1 575 1 2 1 1 37 ILE QG . 37 ILE HG12 1 1 576 1 1 1 1 37 ILE H . 37 ILE HN 1 1 576 1 2 1 1 38 ALA H . 38 ALA HN 1 1 577 1 1 1 1 37 ILE HA . 37 ILE HA 1 1 577 1 2 1 1 37 ILE QG . 37 ILE HG13 1 1 578 1 1 1 1 37 ILE HA . 37 ILE HA 1 1 578 1 2 1 1 38 ALA H . 38 ALA HN 1 1 579 1 1 1 1 37 ILE HA . 37 ILE HA 1 1 579 1 2 1 1 38 ALA HA . 38 ALA HA 1 1 580 1 1 1 1 37 ILE HB . 37 ILE HB 1 1 580 1 2 1 1 38 ALA H . 38 ALA HN 1 1 581 1 1 1 1 37 ILE MD . 37 ILE QD1 1 1 581 1 2 1 1 38 ALA H . 38 ALA HN 1 1 582 1 1 1 1 37 ILE MD . 37 ILE QD1 1 1 582 1 2 1 1 39 ILE H . 39 ILE HN 1 1 583 1 1 1 1 37 ILE MD . 37 ILE QD1 1 1 583 1 2 1 1 39 ILE MD . 39 ILE QD1 1 1 584 1 1 1 1 37 ILE QG . 37 ILE HG12 1 1 584 1 2 1 1 38 ALA H . 38 ALA HN 1 1 585 1 1 1 1 37 ILE QG . 37 ILE HG13 1 1 585 1 2 1 1 39 ILE QG . 39 ILE HG12 1 1 586 1 1 1 1 37 ILE MG . 37 ILE QG2 1 1 586 1 2 1 1 38 ALA H . 38 ALA HN 1 1 587 1 1 1 1 37 ILE MG . 37 ILE QG2 1 1 587 1 2 1 1 38 ALA HA . 38 ALA HA 1 1 588 1 1 1 1 37 ILE MG . 37 ILE QG2 1 1 588 1 2 1 1 39 ILE MD . 39 ILE QD1 1 1 589 1 1 1 1 38 ALA H . 38 ALA HN 1 1 589 1 2 1 1 38 ALA MB . 38 ALA QB 1 1 590 1 1 1 1 38 ALA H . 38 ALA HN 1 1 590 1 2 1 1 39 ILE H . 39 ILE HN 1 1 591 1 1 1 1 38 ALA H . 38 ALA HN 1 1 591 1 2 1 1 39 ILE HB . 39 ILE HB 1 1 592 1 1 1 1 38 ALA H . 38 ALA HN 1 1 592 1 2 1 1 39 ILE MD . 39 ILE QD1 1 1 593 1 1 1 1 38 ALA H . 38 ALA HN 1 1 593 1 2 1 1 39 ILE MG . 39 ILE QG2 1 1 594 1 1 1 1 38 ALA MB . 38 ALA QB 1 1 594 1 2 1 1 40 ASP H . 40 ASP- HN 1 1 595 1 1 1 1 39 ILE H . 39 ILE HN 1 1 595 1 2 1 1 39 ILE HA . 39 ILE HA 1 1 596 1 1 1 1 39 ILE H . 39 ILE HN 1 1 596 1 2 1 1 39 ILE HB . 39 ILE HB 1 1 597 1 1 1 1 39 ILE H . 39 ILE HN 1 1 597 1 2 1 1 39 ILE QG . 39 ILE HG12 1 1 598 1 1 1 1 39 ILE H . 39 ILE HN 1 1 598 1 2 1 1 40 ASP H . 40 ASP- HN 1 1 599 1 1 1 1 39 ILE HA . 39 ILE HA 1 1 599 1 2 1 1 39 ILE MD . 39 ILE QD1 1 1 600 1 1 1 1 39 ILE HA . 39 ILE HA 1 1 600 1 2 1 1 40 ASP H . 40 ASP- HN 1 1 601 1 1 1 1 39 ILE HA . 39 ILE HA 1 1 601 1 2 1 1 43 SER H . 43 SER HN 1 1 602 1 1 1 1 39 ILE HA . 39 ILE HA 1 1 602 1 2 1 1 43 SER HB2 . 43 SER HB3 1 1 603 1 1 1 1 39 ILE HA . 39 ILE HA 1 1 603 1 2 1 1 48 ALA MB . 48 ALA QB 1 1 604 1 1 1 1 39 ILE HB . 39 ILE HB 1 1 604 1 2 1 1 40 ASP H . 40 ASP- HN 1 1 605 1 1 1 1 39 ILE MD . 39 ILE QD1 1 1 605 1 2 1 1 40 ASP H . 40 ASP- HN 1 1 606 1 1 1 1 39 ILE MD . 39 ILE QD1 1 1 606 1 2 1 1 44 ALA H . 44 ALA HN 1 1 607 1 1 1 1 39 ILE MD . 39 ILE QD1 1 1 607 1 2 1 1 48 ALA HA . 48 ALA HA 1 1 608 1 1 1 1 39 ILE MD . 39 ILE QD1 1 1 608 1 2 1 1 48 ALA MB . 48 ALA QB 1 1 609 1 1 1 1 39 ILE QG . 39 ILE HG12 1 1 609 1 2 1 1 40 ASP H . 40 ASP- HN 1 1 610 1 1 1 1 39 ILE MG . 39 ILE QG2 1 1 610 1 2 1 1 40 ASP H . 40 ASP- HN 1 1 611 1 1 1 1 39 ILE MG . 39 ILE QG2 1 1 611 1 2 1 1 40 ASP HA . 40 ASP- HA 1 1 612 1 1 1 1 39 ILE MG . 39 ILE QG2 1 1 612 1 2 1 1 44 ALA H . 44 ALA HN 1 1 613 1 1 1 1 39 ILE MG . 39 ILE QG2 1 1 613 1 2 1 1 44 ALA HA . 44 ALA HA 1 1 614 1 1 1 1 39 ILE MG . 39 ILE QG2 1 1 614 1 2 1 1 44 ALA MB . 44 ALA QB 1 1 615 1 1 1 1 39 ILE MG . 39 ILE QG2 1 1 615 1 2 1 1 48 ALA MB . 48 ALA QB 1 1 616 1 1 1 1 40 ASP H . 40 ASP- HN 1 1 616 1 2 1 1 41 LYS H . 41 LYS+ HN 1 1 617 1 1 1 1 40 ASP H . 40 ASP- HN 1 1 617 1 2 1 1 43 SER HA . 43 SER HA 1 1 618 1 1 1 1 40 ASP H . 40 ASP- HN 1 1 618 1 2 1 1 43 SER HB3 . 43 SER HB2 1 1 619 1 1 1 1 40 ASP H . 40 ASP- HN 1 1 619 1 2 1 1 44 ALA H . 44 ALA HN 1 1 620 1 1 1 1 40 ASP H . 40 ASP- HN 1 1 620 1 2 1 1 44 ALA MB . 44 ALA QB 1 1 621 1 1 1 1 40 ASP HA . 40 ASP- HA 1 1 621 1 2 1 1 41 LYS H . 41 LYS+ HN 1 1 622 1 1 1 1 40 ASP HA . 40 ASP- HA 1 1 622 1 2 1 1 42 LYS H . 42 LYS+ HN 1 1 623 1 1 1 1 40 ASP HB2 . 40 ASP- HB2 1 1 623 1 2 1 1 41 LYS H . 41 LYS+ HN 1 1 624 1 1 1 1 40 ASP HB2 . 40 ASP- HB2 1 1 624 1 2 1 1 42 LYS H . 42 LYS+ HN 1 1 625 1 1 1 1 40 ASP HB3 . 40 ASP- HB3 1 1 625 1 2 1 1 41 LYS H . 41 LYS+ HN 1 1 626 1 1 1 1 41 LYS H . 41 LYS+ HN 1 1 626 1 2 1 1 41 LYS QB . 41 LYS+ HB2 1 1 627 1 1 1 1 41 LYS H . 41 LYS+ HN 1 1 627 1 2 1 1 41 LYS HD2 . 41 LYS+ HD2 1 1 628 1 1 1 1 41 LYS H . 41 LYS+ HN 1 1 628 1 2 1 1 41 LYS HD3 . 41 LYS+ HD3 1 1 629 1 1 1 1 41 LYS H . 41 LYS+ HN 1 1 629 1 2 1 1 41 LYS QE . 41 LYS+ QE 1 1 630 1 1 1 1 41 LYS H . 41 LYS+ HN 1 1 630 1 2 1 1 42 LYS H . 42 LYS+ HN 1 1 631 1 1 1 1 41 LYS H . 41 LYS+ HN 1 1 631 1 2 1 1 44 ALA MB . 44 ALA QB 1 1 632 1 1 1 1 41 LYS HA . 41 LYS+ HA 1 1 632 1 2 1 1 41 LYS HD2 . 41 LYS+ HD2 1 1 633 1 1 1 1 41 LYS HA . 41 LYS+ HA 1 1 633 1 2 1 1 41 LYS HD3 . 41 LYS+ HD3 1 1 634 1 1 1 1 41 LYS HA . 41 LYS+ HA 1 1 634 1 2 1 1 42 LYS H . 42 LYS+ HN 1 1 635 1 1 1 1 41 LYS QB . 41 LYS+ HB2 1 1 635 1 2 1 1 42 LYS H . 42 LYS+ HN 1 1 636 1 1 1 1 41 LYS HD2 . 41 LYS+ HD2 1 1 636 1 2 1 1 42 LYS H . 42 LYS+ HN 1 1 637 1 1 1 1 42 LYS H . 42 LYS+ HN 1 1 637 1 2 1 1 42 LYS QG . 42 LYS+ HG2 1 1 638 1 1 1 1 42 LYS H . 42 LYS+ HN 1 1 638 1 2 1 1 43 SER H . 43 SER HN 1 1 639 1 1 1 1 42 LYS H . 42 LYS+ HN 1 1 639 1 2 1 1 44 ALA H . 44 ALA HN 1 1 640 1 1 1 1 42 LYS H . 42 LYS+ HN 1 1 640 1 2 1 1 44 ALA MB . 44 ALA QB 1 1 641 1 1 1 1 42 LYS H . 42 LYS+ HN 1 1 641 1 2 1 1 45 HIS H . 45 HIS HN 1 1 642 1 1 1 1 42 LYS HA . 42 LYS+ HA 1 1 642 1 2 1 1 42 LYS QG . 42 LYS+ HG2 1 1 643 1 1 1 1 42 LYS HA . 42 LYS+ HA 1 1 643 1 2 1 1 43 SER H . 43 SER HN 1 1 644 1 1 1 1 42 LYS HA . 42 LYS+ HA 1 1 644 1 2 1 1 45 HIS H . 45 HIS HN 1 1 645 1 1 1 1 42 LYS HB3 . 42 LYS+ HB3 1 1 645 1 2 1 1 42 LYS QG . 42 LYS+ HG2 1 1 646 1 1 1 1 42 LYS HB3 . 42 LYS+ HB3 1 1 646 1 2 1 1 43 SER H . 43 SER HN 1 1 647 1 1 1 1 42 LYS QG . 42 LYS+ HG2 1 1 647 1 2 1 1 43 SER H . 43 SER HN 1 1 648 1 1 1 1 42 LYS QG . 42 LYS+ HG3 1 1 648 1 2 1 1 45 HIS H . 45 HIS HN 1 1 649 1 1 1 1 43 SER H . 43 SER HN 1 1 649 1 2 1 1 43 SER HA . 43 SER HA 1 1 650 1 1 1 1 43 SER H . 43 SER HN 1 1 650 1 2 1 1 43 SER HB2 . 43 SER HB3 1 1 651 1 1 1 1 43 SER H . 43 SER HN 1 1 651 1 2 1 1 43 SER HB3 . 43 SER HB2 1 1 652 1 1 1 1 43 SER H . 43 SER HN 1 1 652 1 2 1 1 44 ALA H . 44 ALA HN 1 1 653 1 1 1 1 43 SER H . 43 SER HN 1 1 653 1 2 1 1 44 ALA HA . 44 ALA HA 1 1 654 1 1 1 1 43 SER H . 43 SER HN 1 1 654 1 2 1 1 44 ALA MB . 44 ALA QB 1 1 655 1 1 1 1 43 SER H . 43 SER HN 1 1 655 1 2 1 1 45 HIS H . 45 HIS HN 1 1 656 1 1 1 1 43 SER HA . 43 SER HA 1 1 656 1 2 1 1 43 SER HB2 . 43 SER HB3 1 1 657 1 1 1 1 43 SER HA . 43 SER HA 1 1 657 1 2 1 1 44 ALA H . 44 ALA HN 1 1 658 1 1 1 1 43 SER HA . 43 SER HA 1 1 658 1 2 1 1 45 HIS H . 45 HIS HN 1 1 659 1 1 1 1 43 SER HA . 43 SER HA 1 1 659 1 2 1 1 46 LYS H . 46 LYS+ HN 1 1 660 1 1 1 1 43 SER HB2 . 43 SER HB3 1 1 660 1 2 1 1 44 ALA H . 44 ALA HN 1 1 661 1 1 1 1 43 SER HB2 . 43 SER HB3 1 1 661 1 2 1 1 44 ALA MB . 44 ALA QB 1 1 662 1 1 1 1 43 SER HB2 . 43 SER HB3 1 1 662 1 2 1 1 45 HIS H . 45 HIS HN 1 1 663 1 1 1 1 43 SER HB2 . 43 SER HB3 1 1 663 1 2 1 1 48 ALA MB . 48 ALA QB 1 1 664 1 1 1 1 43 SER HB3 . 43 SER HB2 1 1 664 1 2 1 1 44 ALA H . 44 ALA HN 1 1 665 1 1 1 1 43 SER HB3 . 43 SER HB2 1 1 665 1 2 1 1 44 ALA MB . 44 ALA QB 1 1 666 1 1 1 1 43 SER HB3 . 43 SER HB2 1 1 666 1 2 1 1 45 HIS H . 45 HIS HN 1 1 667 1 1 1 1 44 ALA H . 44 ALA HN 1 1 667 1 2 1 1 44 ALA MB . 44 ALA QB 1 1 668 1 1 1 1 44 ALA H . 44 ALA HN 1 1 668 1 2 1 1 45 HIS H . 45 HIS HN 1 1 669 1 1 1 1 44 ALA H . 44 ALA HN 1 1 669 1 2 1 1 45 HIS HB3 . 45 HIS HB3 1 1 670 1 1 1 1 44 ALA H . 44 ALA HN 1 1 670 1 2 1 1 46 LYS H . 46 LYS+ HN 1 1 671 1 1 1 1 44 ALA H . 44 ALA HN 1 1 671 1 2 1 1 48 ALA MB . 48 ALA QB 1 1 672 1 1 1 1 44 ALA HA . 44 ALA HA 1 1 672 1 2 1 1 45 HIS H . 45 HIS HN 1 1 673 1 1 1 1 44 ALA HA . 44 ALA HA 1 1 673 1 2 1 1 48 ALA H . 48 ALA HN 1 1 674 1 1 1 1 44 ALA HA . 44 ALA HA 1 1 674 1 2 1 1 48 ALA MB . 48 ALA QB 1 1 675 1 1 1 1 44 ALA HA . 44 ALA HA 1 1 675 1 2 1 1 49 CYS H . 49 CYSS HN 1 1 676 1 1 1 1 44 ALA HA . 44 ALA HA 1 1 676 1 2 1 1 49 CYS HB2 . 49 CYSS HB3 1 1 677 1 1 1 1 44 ALA HA . 44 ALA HA 1 1 677 1 2 1 1 50 LYS H . 50 LYS+ HN 1 1 678 1 1 1 1 44 ALA MB . 44 ALA QB 1 1 678 1 2 1 1 45 HIS H . 45 HIS HN 1 1 679 1 1 1 1 44 ALA MB . 44 ALA QB 1 1 679 1 2 1 1 45 HIS HA . 45 HIS HA 1 1 680 1 1 1 1 44 ALA MB . 44 ALA QB 1 1 680 1 2 1 1 46 LYS H . 46 LYS+ HN 1 1 681 1 1 1 1 44 ALA MB . 44 ALA QB 1 1 681 1 2 1 1 49 CYS H . 49 CYSS HN 1 1 682 1 1 1 1 44 ALA MB . 44 ALA QB 1 1 682 1 2 1 1 49 CYS HB2 . 49 CYSS HB3 1 1 683 1 1 1 1 44 ALA MB . 44 ALA QB 1 1 683 1 2 1 1 49 CYS HB3 . 49 CYSS HB2 1 1 684 1 1 1 1 45 HIS H . 45 HIS HN 1 1 684 1 2 1 1 46 LYS H . 46 LYS+ HN 1 1 685 1 1 1 1 45 HIS HA . 45 HIS HA 1 1 685 1 2 1 1 46 LYS H . 46 LYS+ HN 1 1 686 1 1 1 1 45 HIS HA . 45 HIS HA 1 1 686 1 2 1 1 49 CYS HB2 . 49 CYSS HB3 1 1 687 1 1 1 1 45 HIS HA . 45 HIS HA 1 1 687 1 2 1 1 50 LYS H . 50 LYS+ HN 1 1 688 1 1 1 1 45 HIS HB2 . 45 HIS HB2 1 1 688 1 2 1 1 46 LYS H . 46 LYS+ HN 1 1 689 1 1 1 1 45 HIS HB3 . 45 HIS HB3 1 1 689 1 2 1 1 46 LYS H . 46 LYS+ HN 1 1 690 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1 690 1 2 1 1 46 LYS QD . 46 LYS+ QD 1 1 691 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1 691 1 2 1 1 47 ASP H . 47 ASP- HN 1 1 692 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1 692 1 2 1 1 47 ASP QB . 47 ASP- HB2 1 1 693 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1 693 1 2 1 1 48 ALA H . 48 ALA HN 1 1 694 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1 694 1 2 1 1 48 ALA HA . 48 ALA HA 1 1 695 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1 695 1 2 1 1 49 CYS H . 49 CYSS HN 1 1 696 1 1 1 1 46 LYS HA . 46 LYS+ HA 1 1 696 1 2 1 1 46 LYS QD . 46 LYS+ QD 1 1 697 1 1 1 1 46 LYS HA . 46 LYS+ HA 1 1 697 1 2 1 1 47 ASP H . 47 ASP- HN 1 1 698 1 1 1 1 46 LYS QB . 46 LYS+ QB 1 1 698 1 2 1 1 47 ASP H . 47 ASP- HN 1 1 699 1 1 1 1 46 LYS QB . 46 LYS+ QB 1 1 699 1 2 1 1 48 ALA H . 48 ALA HN 1 1 700 1 1 1 1 46 LYS QD . 46 LYS+ QD 1 1 700 1 2 1 1 47 ASP H . 47 ASP- HN 1 1 701 1 1 1 1 46 LYS QD . 46 LYS+ QD 1 1 701 1 2 1 1 47 ASP QB . 47 ASP- HB3 1 1 702 1 1 1 1 46 LYS QD . 46 LYS+ QD 1 1 702 1 2 1 1 48 ALA H . 48 ALA HN 1 1 703 1 1 1 1 46 LYS QG . 46 LYS+ QG 1 1 703 1 2 1 1 47 ASP H . 47 ASP- HN 1 1 704 1 1 1 1 46 LYS QG . 46 LYS+ QG 1 1 704 1 2 1 1 47 ASP HA . 47 ASP- HA 1 1 705 1 1 1 1 47 ASP H . 47 ASP- HN 1 1 705 1 2 1 1 47 ASP QB . 47 ASP- HB2 1 1 706 1 1 1 1 47 ASP H . 47 ASP- HN 1 1 706 1 2 1 1 48 ALA H . 48 ALA HN 1 1 707 1 1 1 1 47 ASP H . 47 ASP- HN 1 1 707 1 2 1 1 48 ALA MB . 48 ALA QB 1 1 708 1 1 1 1 47 ASP H . 47 ASP- HN 1 1 708 1 2 1 1 49 CYS H . 49 CYSS HN 1 1 709 1 1 1 1 47 ASP HA . 47 ASP- HA 1 1 709 1 2 1 1 48 ALA H . 48 ALA HN 1 1 710 1 1 1 1 47 ASP HA . 47 ASP- HA 1 1 710 1 2 1 1 49 CYS H . 49 CYSS HN 1 1 711 1 1 1 1 47 ASP HA . 47 ASP- HA 1 1 711 1 2 1 1 51 THR MG . 51 THR QG2 1 1 712 1 1 1 1 47 ASP QB . 47 ASP- HB2 1 1 712 1 2 1 1 48 ALA H . 48 ALA HN 1 1 713 1 1 1 1 47 ASP QB . 47 ASP- HB2 1 1 713 1 2 1 1 48 ALA MB . 48 ALA QB 1 1 714 1 1 1 1 48 ALA H . 48 ALA HN 1 1 714 1 2 1 1 48 ALA MB . 48 ALA QB 1 1 715 1 1 1 1 48 ALA H . 48 ALA HN 1 1 715 1 2 1 1 49 CYS H . 49 CYSS HN 1 1 716 1 1 1 1 48 ALA H . 48 ALA HN 1 1 716 1 2 1 1 49 CYS HA . 49 CYSS HA 1 1 717 1 1 1 1 48 ALA H . 48 ALA HN 1 1 717 1 2 1 1 50 LYS H . 50 LYS+ HN 1 1 718 1 1 1 1 48 ALA HA . 48 ALA HA 1 1 718 1 2 1 1 49 CYS H . 49 CYSS HN 1 1 719 1 1 1 1 48 ALA MB . 48 ALA QB 1 1 719 1 2 1 1 49 CYS H . 49 CYSS HN 1 1 720 1 1 1 1 48 ALA MB . 48 ALA QB 1 1 720 1 2 1 1 49 CYS HB2 . 49 CYSS HB3 1 1 721 1 1 1 1 48 ALA MB . 48 ALA QB 1 1 721 1 2 1 1 50 LYS H . 50 LYS+ HN 1 1 722 1 1 1 1 49 CYS H . 49 CYSS HN 1 1 722 1 2 1 1 50 LYS H . 50 LYS+ HN 1 1 723 1 1 1 1 49 CYS H . 49 CYSS HN 1 1 723 1 2 1 1 51 THR H . 51 THR HN 1 1 724 1 1 1 1 49 CYS HA . 49 CYSS HA 1 1 724 1 2 1 1 50 LYS H . 50 LYS+ HN 1 1 725 1 1 1 1 49 CYS HA . 49 CYSS HA 1 1 725 1 2 1 1 51 THR H . 51 THR HN 1 1 726 1 1 1 1 49 CYS HA . 49 CYSS HA 1 1 726 1 2 1 1 52 CYS H . 52 CYSS HN 1 1 727 1 1 1 1 49 CYS HB2 . 49 CYSS HB3 1 1 727 1 2 1 1 50 LYS H . 50 LYS+ HN 1 1 728 1 1 1 1 49 CYS HB3 . 49 CYSS HB2 1 1 728 1 2 1 1 50 LYS H . 50 LYS+ HN 1 1 729 1 1 1 1 50 LYS H . 50 LYS+ HN 1 1 729 1 2 1 1 51 THR H . 51 THR HN 1 1 730 1 1 1 1 50 LYS HA . 50 LYS+ HA 1 1 730 1 2 1 1 51 THR H . 51 THR HN 1 1 731 1 1 1 1 50 LYS HA . 50 LYS+ HA 1 1 731 1 2 1 1 51 THR HB . 51 THR HB 1 1 732 1 1 1 1 50 LYS HA . 50 LYS+ HA 1 1 732 1 2 1 1 52 CYS H . 52 CYSS HN 1 1 733 1 1 1 1 50 LYS HA . 50 LYS+ HA 1 1 733 1 2 1 1 53 HIS H . 53 HIS HN 1 1 734 1 1 1 1 50 LYS HA . 50 LYS+ HA 1 1 734 1 2 1 1 53 HIS HD1 . 53 HIS HD1 1 1 735 1 1 1 1 51 THR H . 51 THR HN 1 1 735 1 2 1 1 51 THR HB . 51 THR HB 1 1 736 1 1 1 1 51 THR H . 51 THR HN 1 1 736 1 2 1 1 52 CYS H . 52 CYSS HN 1 1 737 1 1 1 1 51 THR H . 51 THR HN 1 1 737 1 2 1 1 52 CYS HA . 52 CYSS HA 1 1 738 1 1 1 1 51 THR H . 51 THR HN 1 1 738 1 2 1 1 52 CYS HB2 . 52 CYSS HB2 1 1 739 1 1 1 1 51 THR H . 51 THR HN 1 1 739 1 2 1 1 53 HIS H . 53 HIS HN 1 1 740 1 1 1 1 51 THR H . 51 THR HN 1 1 740 1 2 1 1 54 LYS H . 54 LYS+ HN 1 1 741 1 1 1 1 51 THR H . 51 THR HN 1 1 741 1 2 1 1 54 LYS QD . 54 LYS+ HD3 1 1 742 1 1 1 1 51 THR HA . 51 THR HA 1 1 742 1 2 1 1 52 CYS H . 52 CYSS HN 1 1 743 1 1 1 1 51 THR HA . 51 THR HA 1 1 743 1 2 1 1 52 CYS HB3 . 52 CYSS HB3 1 1 744 1 1 1 1 51 THR HB . 51 THR HB 1 1 744 1 2 1 1 52 CYS H . 52 CYSS HN 1 1 745 1 1 1 1 51 THR HB . 51 THR HB 1 1 745 1 2 1 1 52 CYS HB3 . 52 CYSS HB3 1 1 746 1 1 1 1 51 THR HB . 51 THR HB 1 1 746 1 2 1 1 53 HIS H . 53 HIS HN 1 1 747 1 1 1 1 51 THR MG . 51 THR QG2 1 1 747 1 2 1 1 52 CYS H . 52 CYSS HN 1 1 748 1 1 1 1 51 THR MG . 51 THR QG2 1 1 748 1 2 1 1 52 CYS HA . 52 CYSS HA 1 1 749 1 1 1 1 51 THR MG . 51 THR QG2 1 1 749 1 2 1 1 52 CYS HB2 . 52 CYSS HB2 1 1 750 1 1 1 1 51 THR MG . 51 THR QG2 1 1 750 1 2 1 1 54 LYS H . 54 LYS+ HN 1 1 751 1 1 1 1 52 CYS H . 52 CYSS HN 1 1 751 1 2 1 1 52 CYS HB2 . 52 CYSS HB2 1 1 752 1 1 1 1 52 CYS H . 52 CYSS HN 1 1 752 1 2 1 1 52 CYS HB3 . 52 CYSS HB3 1 1 753 1 1 1 1 52 CYS H . 52 CYSS HN 1 1 753 1 2 1 1 53 HIS H . 53 HIS HN 1 1 754 1 1 1 1 52 CYS HA . 52 CYSS HA 1 1 754 1 2 1 1 53 HIS H . 53 HIS HN 1 1 755 1 1 1 1 52 CYS HB3 . 52 CYSS HB3 1 1 755 1 2 1 1 53 HIS H . 53 HIS HN 1 1 756 1 1 1 1 52 CYS HB3 . 52 CYSS HB3 1 1 756 1 2 1 1 53 HIS HD1 . 53 HIS HD1 1 1 757 1 1 1 1 53 HIS H . 53 HIS HN 1 1 757 1 2 1 1 53 HIS HD1 . 53 HIS HD1 1 1 758 1 1 1 1 53 HIS H . 53 HIS HN 1 1 758 1 2 1 1 53 HIS HE1 . 53 HIS HE1 1 1 759 1 1 1 1 53 HIS H . 53 HIS HN 1 1 759 1 2 1 1 54 LYS H . 54 LYS+ HN 1 1 760 1 1 1 1 53 HIS H . 53 HIS HN 1 1 760 1 2 1 1 54 LYS QB . 54 LYS+ HB3 1 1 761 1 1 1 1 53 HIS H . 53 HIS HN 1 1 761 1 2 1 1 54 LYS QG . 54 LYS+ HG3 1 1 762 1 1 1 1 53 HIS HA . 53 HIS HA 1 1 762 1 2 1 1 54 LYS H . 54 LYS+ HN 1 1 763 1 1 1 1 54 LYS H . 54 LYS+ HN 1 1 763 1 2 1 1 54 LYS QD . 54 LYS+ HD2 1 1 764 1 1 1 1 54 LYS H . 54 LYS+ HN 1 1 764 1 2 1 1 54 LYS QE . 54 LYS+ QE 1 1 765 1 1 1 1 54 LYS H . 54 LYS+ HN 1 1 765 1 2 1 1 54 LYS QG . 54 LYS+ HG2 1 1 766 1 1 1 1 54 LYS H . 54 LYS+ HN 1 1 766 1 2 1 1 55 SER H . 55 SER HN 1 1 767 1 1 1 1 54 LYS HA . 54 LYS+ HA 1 1 767 1 2 1 1 54 LYS QD . 54 LYS+ HD2 1 1 768 1 1 1 1 54 LYS HA . 54 LYS+ HA 1 1 768 1 2 1 1 54 LYS QG . 54 LYS+ HG2 1 1 769 1 1 1 1 54 LYS HA . 54 LYS+ HA 1 1 769 1 2 1 1 55 SER H . 55 SER HN 1 1 770 1 1 1 1 54 LYS HA . 54 LYS+ HA 1 1 770 1 2 1 1 56 ASN H . 56 ASN HN 1 1 771 1 1 1 1 54 LYS QB . 54 LYS+ HB2 1 1 771 1 2 1 1 54 LYS QD . 54 LYS+ HD2 1 1 772 1 1 1 1 54 LYS QB . 54 LYS+ HB2 1 1 772 1 2 1 1 55 SER H . 55 SER HN 1 1 773 1 1 1 1 55 SER H . 55 SER HN 1 1 773 1 2 1 1 56 ASN H . 56 ASN HN 1 1 774 1 1 1 1 55 SER HA . 55 SER HA 1 1 774 1 2 1 1 56 ASN H . 56 ASN HN 1 1 775 1 1 1 1 55 SER QB . 55 SER HB2 1 1 775 1 2 1 1 56 ASN H . 56 ASN HN 1 1 776 1 1 1 1 55 SER QB . 55 SER HB3 1 1 776 1 2 1 1 56 ASN QB . 56 ASN QB 1 1 777 1 1 1 1 55 SER QB . 55 SER HB2 1 1 777 1 2 1 1 56 ASN QD . 56 ASN HD22 1 1 778 1 1 1 1 56 ASN H . 56 ASN HN 1 1 778 1 2 1 1 57 ASN H . 57 ASN HN 1 1 779 1 1 1 1 56 ASN HA . 56 ASN HA 1 1 779 1 2 1 1 57 ASN H . 57 ASN HN 1 1 780 1 1 1 1 56 ASN QB . 56 ASN QB 1 1 780 1 2 1 1 57 ASN H . 57 ASN HN 1 1 781 1 1 1 1 56 ASN QD . 56 ASN HD22 1 1 781 1 2 1 1 57 ASN H . 57 ASN HN 1 1 782 1 1 1 1 57 ASN H . 57 ASN HN 1 1 782 1 2 1 1 57 ASN HB2 . 57 ASN HB2 1 1 783 1 1 1 1 57 ASN HB2 . 57 ASN HB2 1 1 783 1 2 1 1 57 ASN HD22 . 57 ASN HD22 1 1 784 1 1 1 1 59 PRO HA . 59 PRO HA 1 1 784 1 2 1 1 60 THR H . 60 THR HN 1 1 785 1 1 1 1 59 PRO HA . 59 PRO HA 1 1 785 1 2 1 1 60 THR MG . 60 THR QG2 1 1 786 1 1 1 1 59 PRO HA . 59 PRO HA 1 1 786 1 2 1 1 61 LYS H . 61 LYS+ HN 1 1 787 1 1 1 1 60 THR H . 60 THR HN 1 1 787 1 2 1 1 61 LYS H . 61 LYS+ HN 1 1 788 1 1 1 1 60 THR H . 60 THR HN 1 1 788 1 2 1 1 61 LYS QG . 61 LYS+ QG 1 1 789 1 1 1 1 60 THR H . 60 THR HN 1 1 789 1 2 1 1 62 CYS H . 62 CYSS HN 1 1 790 1 1 1 1 60 THR HA . 60 THR HA 1 1 790 1 2 1 1 61 LYS H . 61 LYS+ HN 1 1 791 1 1 1 1 60 THR MG . 60 THR QG2 1 1 791 1 2 1 1 61 LYS H . 61 LYS+ HN 1 1 792 1 1 1 1 61 LYS H . 61 LYS+ HN 1 1 792 1 2 1 1 61 LYS QD . 61 LYS+ QD 1 1 793 1 1 1 1 61 LYS HA . 61 LYS+ HA 1 1 793 1 2 1 1 62 CYS H . 62 CYSS HN 1 1 794 1 1 1 1 61 LYS QB . 61 LYS+ QB 1 1 794 1 2 1 1 62 CYS H . 62 CYSS HN 1 1 795 1 1 1 1 61 LYS QD . 61 LYS+ QD 1 1 795 1 2 1 1 62 CYS H . 62 CYSS HN 1 1 796 1 1 1 1 61 LYS QG . 61 LYS+ QG 1 1 796 1 2 1 1 62 CYS H . 62 CYSS HN 1 1 797 1 1 1 1 62 CYS H . 62 CYSS HN 1 1 797 1 2 1 1 62 CYS HB2 . 62 CYSS HB2 1 1 798 1 1 1 1 62 CYS H . 62 CYSS HN 1 1 798 1 2 1 1 62 CYS HB3 . 62 CYSS HB3 1 1 799 1 1 1 1 62 CYS H . 62 CYSS HN 1 1 799 1 2 1 1 63 GLY H . 63 GLY HN 1 1 800 1 1 1 1 62 CYS HA . 62 CYSS HA 1 1 800 1 2 1 1 63 GLY H . 63 GLY HN 1 1 801 1 1 1 1 62 CYS HA . 62 CYSS HA 1 1 801 1 2 1 1 64 GLY H . 64 GLY HN 1 1 802 1 1 1 1 62 CYS HA . 62 CYSS HA 1 1 802 1 2 1 1 65 CYS H . 65 CYSS HN 1 1 803 1 1 1 1 62 CYS HB2 . 62 CYSS HB2 1 1 803 1 2 1 1 63 GLY H . 63 GLY HN 1 1 804 1 1 1 1 62 CYS HB3 . 62 CYSS HB3 1 1 804 1 2 1 1 63 GLY H . 63 GLY HN 1 1 805 1 1 1 1 62 CYS HB3 . 62 CYSS HB3 1 1 805 1 2 1 1 63 GLY HA3 . 63 GLY HA2 1 1 806 1 1 1 1 63 GLY H . 63 GLY HN 1 1 806 1 2 1 1 64 GLY H . 64 GLY HN 1 1 807 1 1 1 1 63 GLY H . 63 GLY HN 1 1 807 1 2 1 1 64 GLY HA2 . 64 GLY HA1 1 1 808 1 1 1 1 63 GLY H . 63 GLY HN 1 1 808 1 2 1 1 65 CYS H . 65 CYSS HN 1 1 809 1 1 1 1 63 GLY H . 63 GLY HN 1 1 809 1 2 1 1 66 HIS H . 66 HIS HN 1 1 810 1 1 1 1 63 GLY H . 63 GLY HN 1 1 810 1 2 1 1 68 LYS H . 68 LYS+ HN 1 1 811 1 1 1 1 63 GLY HA2 . 63 GLY HA1 1 1 811 1 2 1 1 66 HIS H . 66 HIS HN 1 1 812 1 1 1 1 63 GLY HA3 . 63 GLY HA2 1 1 812 1 2 1 1 64 GLY H . 64 GLY HN 1 1 813 1 1 1 1 64 GLY H . 64 GLY HN 1 1 813 1 2 1 1 65 CYS H . 65 CYSS HN 1 1 814 1 1 1 1 64 GLY H . 64 GLY HN 1 1 814 1 2 1 1 65 CYS HB2 . 65 CYSS HB2 1 1 815 1 1 1 1 64 GLY H . 64 GLY HN 1 1 815 1 2 1 1 66 HIS H . 66 HIS HN 1 1 816 1 1 1 1 64 GLY HA2 . 64 GLY HA1 1 1 816 1 2 1 1 65 CYS H . 65 CYSS HN 1 1 817 1 1 1 1 64 GLY HA3 . 64 GLY HA2 1 1 817 1 2 1 1 65 CYS H . 65 CYSS HN 1 1 818 1 1 1 1 65 CYS H . 65 CYSS HN 1 1 818 1 2 1 1 65 CYS HB2 . 65 CYSS HB2 1 1 819 1 1 1 1 65 CYS H . 65 CYSS HN 1 1 819 1 2 1 1 65 CYS HB3 . 65 CYSS HB3 1 1 820 1 1 1 1 65 CYS H . 65 CYSS HN 1 1 820 1 2 1 1 66 HIS H . 66 HIS HN 1 1 821 1 1 1 1 65 CYS H . 65 CYSS HN 1 1 821 1 2 1 1 66 HIS HA . 66 HIS HA 1 1 822 1 1 1 1 65 CYS H . 65 CYSS HN 1 1 822 1 2 1 1 66 HIS HB3 . 66 HIS HB2 1 1 823 1 1 1 1 65 CYS H . 65 CYSS HN 1 1 823 1 2 1 1 67 ILE QG . 67 ILE QG1 1 1 824 1 1 1 1 65 CYS HA . 65 CYSS HA 1 1 824 1 2 1 1 66 HIS H . 66 HIS HN 1 1 825 1 1 1 1 65 CYS HB2 . 65 CYSS HB2 1 1 825 1 2 1 1 66 HIS H . 66 HIS HN 1 1 826 1 1 1 1 65 CYS HB3 . 65 CYSS HB3 1 1 826 1 2 1 1 66 HIS H . 66 HIS HN 1 1 827 1 1 1 1 66 HIS H . 66 HIS HN 1 1 827 1 2 1 1 66 HIS HD1 . 66 HIS HD1 1 1 828 1 1 1 1 66 HIS H . 66 HIS HN 1 1 828 1 2 1 1 67 ILE H . 67 ILE HN 1 1 829 1 1 1 1 66 HIS HA . 66 HIS HA 1 1 829 1 2 1 1 66 HIS HD1 . 66 HIS HD1 1 1 830 1 1 1 1 66 HIS HA . 66 HIS HA 1 1 830 1 2 1 1 67 ILE H . 67 ILE HN 1 1 831 1 1 1 1 66 HIS HA . 66 HIS HA 1 1 831 1 2 1 1 67 ILE HA . 67 ILE HA 1 1 832 1 1 1 1 66 HIS HA . 66 HIS HA 1 1 832 1 2 1 1 67 ILE HB . 67 ILE HB 1 1 833 1 1 1 1 66 HIS HD1 . 66 HIS HD1 1 1 833 1 2 1 1 67 ILE H . 67 ILE HN 1 1 834 1 1 1 1 67 ILE H . 67 ILE HN 1 1 834 1 2 1 1 67 ILE HB . 67 ILE HB 1 1 835 1 1 1 1 67 ILE H . 67 ILE HN 1 1 835 1 2 1 1 67 ILE MD . 67 ILE QD1 1 1 836 1 1 1 1 67 ILE H . 67 ILE HN 1 1 836 1 2 1 1 68 LYS H . 68 LYS+ HN 1 1 837 1 1 1 1 67 ILE HA . 67 ILE HA 1 1 837 1 2 1 1 68 LYS H . 68 LYS+ HN 1 1 838 1 1 1 1 67 ILE HB . 67 ILE HB 1 1 838 1 2 1 1 68 LYS H . 68 LYS+ HN 1 1 839 1 1 1 1 67 ILE MD . 67 ILE QD1 1 1 839 1 2 1 1 68 LYS H . 68 LYS+ HN 1 1 840 1 1 1 1 67 ILE QG . 67 ILE QG1 1 1 840 1 2 1 1 68 LYS H . 68 LYS+ HN 1 1 841 1 1 1 1 67 ILE MG . 67 ILE QG2 1 1 841 1 2 1 1 68 LYS H . 68 LYS+ HN 1 1 842 1 1 1 1 68 LYS H . 68 LYS+ HN 1 1 842 1 2 1 1 68 LYS HA . 68 LYS+ HA 1 1 843 1 1 1 1 68 LYS H . 68 LYS+ HN 1 1 843 1 2 1 1 68 LYS QD . 68 LYS+ QD 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 4.5 1 1 2 1 . . . . . . . 4.9 1 1 3 1 . . . . . . . 4.9 1 1 4 1 . . . . . . . 5.9 1 1 5 1 . . . . . . . 4.1 1 1 6 1 . . . . . . . 5.8 1 1 7 1 . . . . . . . 4.5 1 1 8 1 . . . . . . . 4.5 1 1 9 1 . . . . . . . 4.3 1 1 10 1 . . . . . . . 5.7 1 1 11 1 . . . . . . . 3.3 1 1 12 1 . . . . . . . 6.1 1 1 13 1 . . . . . . . 3.7 1 1 14 1 . . . . . . . 4.8 1 1 15 1 . . . . . . . 3.4 1 1 16 1 . . . . . . . 3.3 1 1 17 1 . . . . . . . 5.6 1 1 18 1 . . . . . . . 7.5 1 1 19 1 . . . . . . . 5.7 1 1 20 1 . . . . . . . 6.5 1 1 21 1 . . . . . . . 2.8 1 1 22 1 . . . . . . . 4.7 1 1 23 1 . . . . . . . 6.5 1 1 24 1 . . . . . . . 3.8 1 1 25 1 . . . . . . . 4.4 1 1 26 1 . . . . . . . 5.6 1 1 27 1 . . . . . . . 6.6 1 1 28 1 . . . . . . . 6.4 1 1 29 1 . . . . . . . 3.4 1 1 30 1 . . . . . . . 4.5 1 1 31 1 . . . . . . . 5.1 1 1 32 1 . . . . . . . 7.5 1 1 33 1 . . . . . . . 7.9 1 1 34 1 . . . . . . . 6.5 1 1 35 1 . . . . . . . 8.5 1 1 36 1 . . . . . . . 5.1 1 1 37 1 . . . . . . . 4.8 1 1 38 1 . . . . . . . 5.6 1 1 39 1 . . . . . . . 6.3 1 1 40 1 . . . . . . . 6.5 1 1 41 1 . . . . . . . 2.8 1 1 42 1 . . . . . . . 8.0 1 1 43 1 . . . . . . . 4.5 1 1 44 1 . . . . . . . 6.8 1 1 45 1 . . . . . . . 6.7 1 1 46 1 . . . . . . . 7.2 1 1 47 1 . . . . . . . 4.4 1 1 48 1 . . . . . . . 6.6 1 1 49 1 . . . . . . . 6.5 1 1 50 1 . . . . . . . 4.5 1 1 51 1 . . . . . . . 8.7 1 1 52 1 . . . . . . . 8.0 1 1 53 1 . . . . . . . 6.6 1 1 54 1 . . . . . . . 7.5 1 1 55 1 . . . . . . . 7.5 1 1 56 1 . . . . . . . 9.5 1 1 57 1 . . . . . . . 8.5 1 1 58 1 . . . . . . . 6.1 1 1 59 1 . . . . . . . 5.9 1 1 60 1 . . . . . . . 7.5 1 1 61 1 . . . . . . . 9.5 1 1 62 1 . . . . . . . 9.4 1 1 63 1 . . . . . . . 7.5 1 1 64 1 . . . . . . . 9.5 1 1 65 1 . . . . . . . 9.5 1 1 66 1 . . . . . . . 7.5 1 1 67 1 . . . . . . . 7.5 1 1 68 1 . . . . . . . 3.4 1 1 69 1 . . . . . . . 7.9 1 1 70 1 . . . . . . . 6.2 1 1 71 1 . . . . . . . 6.5 1 1 72 1 . . . . . . . 7.9 1 1 73 1 . . . . . . . 5.6 1 1 74 1 . . . . . . . 3.4 1 1 75 1 . . . . . . . 6.3 1 1 76 1 . . . . . . . 6.3 1 1 77 1 . . . . . . . 3.9 1 1 78 1 . . . . . . . 5.0 1 1 79 1 . . . . . . . 4.6 1 1 80 1 . . . . . . . 5.9 1 1 81 1 . . . . . . . 6.3 1 1 82 1 . . . . . . . 5.5 1 1 83 1 . . . . . . . 9.5 1 1 84 1 . . . . . . . 9.5 1 1 85 1 . . . . . . . 6.0 1 1 86 1 . . . . . . . 6.0 1 1 87 1 . . . . . . . 6.3 1 1 88 1 . . . . . . . 6.8 1 1 89 1 . . . . . . . 7.5 1 1 90 1 . . . . . . . 7.5 1 1 91 1 . . . . . . . 4.9 1 1 92 1 . . . . . . . 4.8 1 1 93 1 . . . . . . . 5.4 1 1 94 1 . . . . . . . 7.5 1 1 95 1 . . . . . . . 7.2 1 1 96 1 . . . . . . . 6.5 1 1 97 1 . . . . . . . 9.1 1 1 98 1 . . . . . . . 8.5 1 1 99 1 . . . . . . . 6.7 1 1 100 1 . . . . . . . 8.5 1 1 101 1 . . . . . . . 5.9 1 1 102 1 . . . . . . . 8.3 1 1 103 1 . . . . . . . 9.5 1 1 104 1 . . . . . . . 10.5 1 1 105 1 . . . . . . . 9.4 1 1 106 1 . . . . . . . 7.3 1 1 107 1 . . . . . . . 6.8 1 1 108 1 . . . . . . . 7.7 1 1 109 1 . . . . . . . 7.2 1 1 110 1 . . . . . . . 9.2 1 1 111 1 . . . . . . . 7.4 1 1 112 1 . . . . . . . 8.5 1 1 113 1 . . . . . . . 9.5 1 1 114 1 . . . . . . . 9.5 1 1 115 1 . . . . . . . 9.6 1 1 116 1 . . . . . . . 8.2 1 1 117 1 . . . . . . . 7.0 1 1 118 1 . . . . . . . 6.1 1 1 119 1 . . . . . . . 6.5 1 1 120 1 . . . . . . . 7.2 1 1 121 1 . . . . . . . 5.9 1 1 122 1 . . . . . . . 7.0 1 1 123 1 . . . . . . . 8.7 1 1 124 1 . . . . . . . 5.4 1 1 125 1 . . . . . . . 6.5 1 1 126 1 . . . . . . . 6.5 1 1 127 1 . . . . . . . 5.2 1 1 128 1 . . . . . . . 5.7 1 1 129 1 . . . . . . . 6.5 1 1 130 1 . . . . . . . 5.4 1 1 131 1 . . . . . . . 4.3 1 1 132 1 . . . . . . . 4.8 1 1 133 1 . . . . . . . 4.7 1 1 134 1 . . . . . . . 6.5 1 1 135 1 . . . . . . . 5.7 1 1 136 1 . . . . . . . 5.4 1 1 137 1 . . . . . . . 5.4 1 1 138 1 . . . . . . . 6.5 1 1 139 1 . . . . . . . 5.6 1 1 140 1 . . . . . . . 5.1 1 1 141 1 . . . . . . . 3.9 1 1 142 1 . . . . . . . 5.4 1 1 143 1 . . . . . . . 5.1 1 1 144 1 . . . . . . . 5.3 1 1 145 1 . . . . . . . 6.1 1 1 146 1 . . . . . . . 4.8 1 1 147 1 . . . . . . . 4.3 1 1 148 1 . . . . . . . 3.4 1 1 149 1 . . . . . . . 3.9 1 1 150 1 . . . . . . . 6.1 1 1 151 1 . . . . . . . 5.9 1 1 152 1 . . . . . . . 6.2 1 1 153 1 . . . . . . . 6.5 1 1 154 1 . . . . . . . 7.5 1 1 155 1 . . . . . . . 3.2 1 1 156 1 . . . . . . . 5.8 1 1 157 1 . . . . . . . 6.5 1 1 158 1 . . . . . . . 5.5 1 1 159 1 . . . . . . . 4.4 1 1 160 1 . . . . . . . 5.2 1 1 161 1 . . . . . . . 3.8 1 1 162 1 . . . . . . . 4.7 1 1 163 1 . . . . . . . 4.3 1 1 164 1 . . . . . . . 4.4 1 1 165 1 . . . . . . . 5.0 1 1 166 1 . . . . . . . 5.2 1 1 167 1 . . . . . . . 6.1 1 1 168 1 . . . . . . . 7.1 1 1 169 1 . . . . . . . 5.4 1 1 170 1 . . . . . . . 6.5 1 1 171 1 . . . . . . . 5.4 1 1 172 1 . . . . . . . 5.7 1 1 173 1 . . . . . . . 6.3 1 1 174 1 . . . . . . . 3.7 1 1 175 1 . . . . . . . 6.2 1 1 176 1 . . . . . . . 5.9 1 1 177 1 . . . . . . . 5.8 1 1 178 1 . . . . . . . 5.0 1 1 179 1 . . . . . . . 7.5 1 1 180 1 . . . . . . . 3.5 1 1 181 1 . . . . . . . 6.1 1 1 182 1 . . . . . . . 5.6 1 1 183 1 . . . . . . . 5.0 1 1 184 1 . . . . . . . 6.5 1 1 185 1 . . . . . . . 4.0 1 1 186 1 . . . . . . . 5.1 1 1 187 1 . . . . . . . 7.5 1 1 188 1 . . . . . . . 6.5 1 1 189 1 . . . . . . . 4.4 1 1 190 1 . . . . . . . 5.7 1 1 191 1 . . . . . . . 5.3 1 1 192 1 . . . . . . . 4.0 1 1 193 1 . . . . . . . 5.1 1 1 194 1 . . . . . . . 6.5 1 1 195 1 . . . . . . . 5.9 1 1 196 1 . . . . . . . 3.9 1 1 197 1 . . . . . . . 4.9 1 1 198 1 . . . . . . . 3.5 1 1 199 1 . . . . . . . 5.7 1 1 200 1 . . . . . . . 4.2 1 1 201 1 . . . . . . . 5.1 1 1 202 1 . . . . . . . 4.3 1 1 203 1 . . . . . . . 7.5 1 1 204 1 . . . . . . . 5.0 1 1 205 1 . . . . . . . 5.2 1 1 206 1 . . . . . . . 4.8 1 1 207 1 . . . . . . . 5.4 1 1 208 1 . . . . . . . 4.4 1 1 209 1 . . . . . . . 3.7 1 1 210 1 . . . . . . . 6.5 1 1 211 1 . . . . . . . 5.8 1 1 212 1 . . . . . . . 7.5 1 1 213 1 . . . . . . . 6.0 1 1 214 1 . . . . . . . 5.0 1 1 215 1 . . . . . . . 3.6 1 1 216 1 . . . . . . . 5.7 1 1 217 1 . . . . . . . 4.0 1 1 218 1 . . . . . . . 3.7 1 1 219 1 . . . . . . . 4.9 1 1 220 1 . . . . . . . 4.4 1 1 221 1 . . . . . . . 6.1 1 1 222 1 . . . . . . . 7.2 1 1 223 1 . . . . . . . 5.7 1 1 224 1 . . . . . . . 5.6 1 1 225 1 . . . . . . . 3.6 1 1 226 1 . . . . . . . 5.3 1 1 227 1 . . . . . . . 5.7 1 1 228 1 . . . . . . . 6.3 1 1 229 1 . . . . . . . 5.5 1 1 230 1 . . . . . . . 5.8 1 1 231 1 . . . . . . . 5.0 1 1 232 1 . . . . . . . 4.6 1 1 233 1 . . . . . . . 5.0 1 1 234 1 . . . . . . . 3.9 1 1 235 1 . . . . . . . 4.8 1 1 236 1 . . . . . . . 6.5 1 1 237 1 . . . . . . . 5.8 1 1 238 1 . . . . . . . 7.5 1 1 239 1 . . . . . . . 6.5 1 1 240 1 . . . . . . . 6.5 1 1 241 1 . . . . . . . 4.1 1 1 242 1 . . . . . . . 5.1 1 1 243 1 . . . . . . . 6.5 1 1 244 1 . . . . . . . 3.6 1 1 245 1 . . . . . . . 6.5 1 1 246 1 . . . . . . . 6.5 1 1 247 1 . . . . . . . 6.1 1 1 248 1 . . . . . . . 6.2 1 1 249 1 . . . . . . . 5.5 1 1 250 1 . . . . . . . 7.5 1 1 251 1 . . . . . . . 5.9 1 1 252 1 . . . . . . . 6.2 1 1 253 1 . . . . . . . 3.7 1 1 254 1 . . . . . . . 4.2 1 1 255 1 . . . . . . . 5.7 1 1 256 1 . . . . . . . 7.5 1 1 257 1 . . . . . . . 6.5 1 1 258 1 . . . . . . . 6.5 1 1 259 1 . . . . . . . 3.7 1 1 260 1 . . . . . . . 5.3 1 1 261 1 . . . . . . . 7.5 1 1 262 1 . . . . . . . 7.5 1 1 263 1 . . . . . . . 4.2 1 1 264 1 . . . . . . . 4.2 1 1 265 1 . . . . . . . 4.7 1 1 266 1 . . . . . . . 4.3 1 1 267 1 . . . . . . . 4.9 1 1 268 1 . . . . . . . 6.2 1 1 269 1 . . . . . . . 3.3 1 1 270 1 . . . . . . . 5.1 1 1 271 1 . . . . . . . 6.5 1 1 272 1 . . . . . . . 6.9 1 1 273 1 . . . . . . . 5.5 1 1 274 1 . . . . . . . 5.6 1 1 275 1 . . . . . . . 7.5 1 1 276 1 . . . . . . . 7.5 1 1 277 1 . . . . . . . 7.5 1 1 278 1 . . . . . . . 7.5 1 1 279 1 . . . . . . . 7.0 1 1 280 1 . . . . . . . 7.5 1 1 281 1 . . . . . . . 6.4 1 1 282 1 . . . . . . . 7.5 1 1 283 1 . . . . . . . 5.5 1 1 284 1 . . . . . . . 5.4 1 1 285 1 . . . . . . . 5.3 1 1 286 1 . . . . . . . 7.5 1 1 287 1 . . . . . . . 3.6 1 1 288 1 . . . . . . . 8.5 1 1 289 1 . . . . . . . 4.7 1 1 290 1 . . . . . . . 6.5 1 1 291 1 . . . . . . . 6.5 1 1 292 1 . . . . . . . 7.5 1 1 293 1 . . . . . . . 7.5 1 1 294 1 . . . . . . . 8.5 1 1 295 1 . . . . . . . 3.3 1 1 296 1 . . . . . . . 4.8 1 1 297 1 . . . . . . . 6.5 1 1 298 1 . . . . . . . 5.1 1 1 299 1 . . . . . . . 7.6 1 1 300 1 . . . . . . . 7.5 1 1 301 1 . . . . . . . 8.2 1 1 302 1 . . . . . . . 8.1 1 1 303 1 . . . . . . . 8.2 1 1 304 1 . . . . . . . 8.2 1 1 305 1 . . . . . . . 6.5 1 1 306 1 . . . . . . . 9.5 1 1 307 1 . . . . . . . 6.8 1 1 308 1 . . . . . . . 9.5 1 1 309 1 . . . . . . . 5.2 1 1 310 1 . . . . . . . 5.1 1 1 311 1 . . . . . . . 6.4 1 1 312 1 . . . . . . . 7.5 1 1 313 1 . . . . . . . 5.7 1 1 314 1 . . . . . . . 5.7 1 1 315 1 . . . . . . . 5.6 1 1 316 1 . . . . . . . 5.2 1 1 317 1 . . . . . . . 5.9 1 1 318 1 . . . . . . . 4.9 1 1 319 1 . . . . . . . 5.8 1 1 320 1 . . . . . . . 3.7 1 1 321 1 . . . . . . . 3.8 1 1 322 1 . . . . . . . 4.6 1 1 323 1 . . . . . . . 6.5 1 1 324 1 . . . . . . . 5.9 1 1 325 1 . . . . . . . 6.1 1 1 326 1 . . . . . . . 6.5 1 1 327 1 . . . . . . . 5.7 1 1 328 1 . . . . . . . 4.5 1 1 329 1 . . . . . . . 5.3 1 1 330 1 . . . . . . . 3.5 1 1 331 1 . . . . . . . 5.1 1 1 332 1 . . . . . . . 4.8 1 1 333 1 . . . . . . . 3.9 1 1 334 1 . . . . . . . 5.5 1 1 335 1 . . . . . . . 5.2 1 1 336 1 . . . . . . . 3.5 1 1 337 1 . . . . . . . 3.0 1 1 338 1 . . . . . . . 4.5 1 1 339 1 . . . . . . . 6.2 1 1 340 1 . . . . . . . 3.6 1 1 341 1 . . . . . . . 5.0 1 1 342 1 . . . . . . . 2.9 1 1 343 1 . . . . . . . 3.8 1 1 344 1 . . . . . . . 4.0 1 1 345 1 . . . . . . . 4.0 1 1 346 1 . . . . . . . 4.6 1 1 347 1 . . . . . . . 3.5 1 1 348 1 . . . . . . . 4.0 1 1 349 1 . . . . . . . 6.5 1 1 350 1 . . . . . . . 5.4 1 1 351 1 . . . . . . . 4.9 1 1 352 1 . . . . . . . 4.4 1 1 353 1 . . . . . . . 5.9 1 1 354 1 . . . . . . . 5.3 1 1 355 1 . . . . . . . 4.4 1 1 356 1 . . . . . . . 4.2 1 1 357 1 . . . . . . . 3.7 1 1 358 1 . . . . . . . 5.1 1 1 359 1 . . . . . . . 3.9 1 1 360 1 . . . . . . . 5.7 1 1 361 1 . . . . . . . 3.7 1 1 362 1 . . . . . . . 5.9 1 1 363 1 . . . . . . . 4.8 1 1 364 1 . . . . . . . 5.8 1 1 365 1 . . . . . . . 3.7 1 1 366 1 . . . . . . . 3.6 1 1 367 1 . . . . . . . 6.5 1 1 368 1 . . . . . . . 5.2 1 1 369 1 . . . . . . . 5.0 1 1 370 1 . . . . . . . 5.0 1 1 371 1 . . . . . . . 4.9 1 1 372 1 . . . . . . . 5.1 1 1 373 1 . . . . . . . 4.1 1 1 374 1 . . . . . . . 4.4 1 1 375 1 . . . . . . . 5.5 1 1 376 1 . . . . . . . 6.5 1 1 377 1 . . . . . . . 5.6 1 1 378 1 . . . . . . . 7.1 1 1 379 1 . . . . . . . 3.8 1 1 380 1 . . . . . . . 5.1 1 1 381 1 . . . . . . . 7.5 1 1 382 1 . . . . . . . 3.5 1 1 383 1 . . . . . . . 3.9 1 1 384 1 . . . . . . . 4.3 1 1 385 1 . . . . . . . 5.9 1 1 386 1 . . . . . . . 5.2 1 1 387 1 . . . . . . . 6.2 1 1 388 1 . . . . . . . 5.5 1 1 389 1 . . . . . . . 6.5 1 1 390 1 . . . . . . . 4.4 1 1 391 1 . . . . . . . 7.5 1 1 392 1 . . . . . . . 3.9 1 1 393 1 . . . . . . . 5.5 1 1 394 1 . . . . . . . 3.9 1 1 395 1 . . . . . . . 5.9 1 1 396 1 . . . . . . . 6.9 1 1 397 1 . . . . . . . 5.3 1 1 398 1 . . . . . . . 5.4 1 1 399 1 . . . . . . . 6.4 1 1 400 1 . . . . . . . 7.5 1 1 401 1 . . . . . . . 3.9 1 1 402 1 . . . . . . . 3.6 1 1 403 1 . . . . . . . 4.6 1 1 404 1 . . . . . . . 3.6 1 1 405 1 . . . . . . . 4.0 1 1 406 1 . . . . . . . 6.5 1 1 407 1 . . . . . . . 5.2 1 1 408 1 . . . . . . . 4.4 1 1 409 1 . . . . . . . 4.2 1 1 410 1 . . . . . . . 3.7 1 1 411 1 . . . . . . . 4.8 1 1 412 1 . . . . . . . 5.1 1 1 413 1 . . . . . . . 3.7 1 1 414 1 . . . . . . . 3.6 1 1 415 1 . . . . . . . 3.3 1 1 416 1 . . . . . . . 3.4 1 1 417 1 . . . . . . . 3.6 1 1 418 1 . . . . . . . 3.7 1 1 419 1 . . . . . . . 7.3 1 1 420 1 . . . . . . . 4.1 1 1 421 1 . . . . . . . 3.8 1 1 422 1 . . . . . . . 5.5 1 1 423 1 . . . . . . . 7.5 1 1 424 1 . . . . . . . 7.5 1 1 425 1 . . . . . . . 5.2 1 1 426 1 . . . . . . . 3.5 1 1 427 1 . . . . . . . 3.3 1 1 428 1 . . . . . . . 4.2 1 1 429 1 . . . . . . . 3.7 1 1 430 1 . . . . . . . 2.9 1 1 431 1 . . . . . . . 4.7 1 1 432 1 . . . . . . . 4.4 1 1 433 1 . . . . . . . 5.1 1 1 434 1 . . . . . . . 3.7 1 1 435 1 . . . . . . . 3.5 1 1 436 1 . . . . . . . 5.0 1 1 437 1 . . . . . . . 6.5 1 1 438 1 . . . . . . . 4.5 1 1 439 1 . . . . . . . 4.0 1 1 440 1 . . . . . . . 4.4 1 1 441 1 . . . . . . . 5.2 1 1 442 1 . . . . . . . 5.5 1 1 443 1 . . . . . . . 6.6 1 1 444 1 . . . . . . . 7.5 1 1 445 1 . . . . . . . 5.8 1 1 446 1 . . . . . . . 7.4 1 1 447 1 . . . . . . . 5.4 1 1 448 1 . . . . . . . 5.7 1 1 449 1 . . . . . . . 5.1 1 1 450 1 . . . . . . . 5.4 1 1 451 1 . . . . . . . 4.9 1 1 452 1 . . . . . . . 5.8 1 1 453 1 . . . . . . . 3.4 1 1 454 1 . . . . . . . 4.9 1 1 455 1 . . . . . . . 5.2 1 1 456 1 . . . . . . . 3.6 1 1 457 1 . . . . . . . 5.5 1 1 458 1 . . . . . . . 4.8 1 1 459 1 . . . . . . . 4.5 1 1 460 1 . . . . . . . 5.1 1 1 461 1 . . . . . . . 6.1 1 1 462 1 . . . . . . . 5.9 1 1 463 1 . . . . . . . 6.5 1 1 464 1 . . . . . . . 6.5 1 1 465 1 . . . . . . . 5.3 1 1 466 1 . . . . . . . 3.5 1 1 467 1 . . . . . . . 3.6 1 1 468 1 . . . . . . . 5.2 1 1 469 1 . . . . . . . 4.9 1 1 470 1 . . . . . . . 5.6 1 1 471 1 . . . . . . . 4.8 1 1 472 1 . . . . . . . 5.2 1 1 473 1 . . . . . . . 4.5 1 1 474 1 . . . . . . . 5.6 1 1 475 1 . . . . . . . 3.5 1 1 476 1 . . . . . . . 4.7 1 1 477 1 . . . . . . . 6.5 1 1 478 1 . . . . . . . 3.9 1 1 479 1 . . . . . . . 3.5 1 1 480 1 . . . . . . . 4.1 1 1 481 1 . . . . . . . 4.3 1 1 482 1 . . . . . . . 4.9 1 1 483 1 . . . . . . . 5.9 1 1 484 1 . . . . . . . 4.4 1 1 485 1 . . . . . . . 6.5 1 1 486 1 . . . . . . . 5.6 1 1 487 1 . . . . . . . 4.3 1 1 488 1 . . . . . . . 3.8 1 1 489 1 . . . . . . . 6.3 1 1 490 1 . . . . . . . 6.5 1 1 491 1 . . . . . . . 7.5 1 1 492 1 . . . . . . . 5.0 1 1 493 1 . . . . . . . 7.5 1 1 494 1 . . . . . . . 4.5 1 1 495 1 . . . . . . . 6.6 1 1 496 1 . . . . . . . 4.8 1 1 497 1 . . . . . . . 6.3 1 1 498 1 . . . . . . . 4.4 1 1 499 1 . . . . . . . 6.5 1 1 500 1 . . . . . . . 5.2 1 1 501 1 . . . . . . . 6.5 1 1 502 1 . . . . . . . 7.5 1 1 503 1 . . . . . . . 3.7 1 1 504 1 . . . . . . . 3.1 1 1 505 1 . . . . . . . 4.6 1 1 506 1 . . . . . . . 5.8 1 1 507 1 . . . . . . . 5.9 1 1 508 1 . . . . . . . 5.8 1 1 509 1 . . . . . . . 5.5 1 1 510 1 . . . . . . . 6.3 1 1 511 1 . . . . . . . 5.8 1 1 512 1 . . . . . . . 4.6 1 1 513 1 . . . . . . . 4.7 1 1 514 1 . . . . . . . 3.6 1 1 515 1 . . . . . . . 5.4 1 1 516 1 . . . . . . . 6.5 1 1 517 1 . . . . . . . 6.5 1 1 518 1 . . . . . . . 4.7 1 1 519 1 . . . . . . . 7.5 1 1 520 1 . . . . . . . 4.9 1 1 521 1 . . . . . . . 4.0 1 1 522 1 . . . . . . . 4.3 1 1 523 1 . . . . . . . 3.9 1 1 524 1 . . . . . . . 4.6 1 1 525 1 . . . . . . . 5.9 1 1 526 1 . . . . . . . 5.9 1 1 527 1 . . . . . . . 4.3 1 1 528 1 . . . . . . . 6.9 1 1 529 1 . . . . . . . 3.7 1 1 530 1 . . . . . . . 4.7 1 1 531 1 . . . . . . . 6.5 1 1 532 1 . . . . . . . 6.5 1 1 533 1 . . . . . . . 7.5 1 1 534 1 . . . . . . . 3.6 1 1 535 1 . . . . . . . 3.6 1 1 536 1 . . . . . . . 4.8 1 1 537 1 . . . . . . . 4.7 1 1 538 1 . . . . . . . 4.1 1 1 539 1 . . . . . . . 4.0 1 1 540 1 . . . . . . . 3.6 1 1 541 1 . . . . . . . 3.5 1 1 542 1 . . . . . . . 3.9 1 1 543 1 . . . . . . . 5.8 1 1 544 1 . . . . . . . 4.5 1 1 545 1 . . . . . . . 6.5 1 1 546 1 . . . . . . . 7.5 1 1 547 1 . . . . . . . 6.4 1 1 548 1 . . . . . . . 3.2 1 1 549 1 . . . . . . . 6.0 1 1 550 1 . . . . . . . 6.7 1 1 551 1 . . . . . . . 6.5 1 1 552 1 . . . . . . . 3.9 1 1 553 1 . . . . . . . 6.5 1 1 554 1 . . . . . . . 5.9 1 1 555 1 . . . . . . . 4.4 1 1 556 1 . . . . . . . 3.6 1 1 557 1 . . . . . . . 5.5 1 1 558 1 . . . . . . . 7.5 1 1 559 1 . . . . . . . 6.5 1 1 560 1 . . . . . . . 5.6 1 1 561 1 . . . . . . . 4.5 1 1 562 1 . . . . . . . 4.1 1 1 563 1 . . . . . . . 4.8 1 1 564 1 . . . . . . . 3.1 1 1 565 1 . . . . . . . 5.1 1 1 566 1 . . . . . . . 2.8 1 1 567 1 . . . . . . . 5.0 1 1 568 1 . . . . . . . 7.0 1 1 569 1 . . . . . . . 7.5 1 1 570 1 . . . . . . . 5.2 1 1 571 1 . . . . . . . 5.3 1 1 572 1 . . . . . . . 4.9 1 1 573 1 . . . . . . . 5.0 1 1 574 1 . . . . . . . 3.8 1 1 575 1 . . . . . . . 4.4 1 1 576 1 . . . . . . . 5.7 1 1 577 1 . . . . . . . 3.9 1 1 578 1 . . . . . . . 3.4 1 1 579 1 . . . . . . . 5.5 1 1 580 1 . . . . . . . 5.2 1 1 581 1 . . . . . . . 7.4 1 1 582 1 . . . . . . . 7.5 1 1 583 1 . . . . . . . 6.7 1 1 584 1 . . . . . . . 3.2 1 1 585 1 . . . . . . . 4.3 1 1 586 1 . . . . . . . 6.7 1 1 587 1 . . . . . . . 7.5 1 1 588 1 . . . . . . . 8.5 1 1 589 1 . . . . . . . 3.5 1 1 590 1 . . . . . . . 4.4 1 1 591 1 . . . . . . . 6.1 1 1 592 1 . . . . . . . 7.5 1 1 593 1 . . . . . . . 7.5 1 1 594 1 . . . . . . . 5.7 1 1 595 1 . . . . . . . 3.1 1 1 596 1 . . . . . . . 3.4 1 1 597 1 . . . . . . . 4.0 1 1 598 1 . . . . . . . 5.1 1 1 599 1 . . . . . . . 4.6 1 1 600 1 . . . . . . . 3.3 1 1 601 1 . . . . . . . 4.9 1 1 602 1 . . . . . . . 4.7 1 1 603 1 . . . . . . . 7.5 1 1 604 1 . . . . . . . 5.1 1 1 605 1 . . . . . . . 6.0 1 1 606 1 . . . . . . . 7.1 1 1 607 1 . . . . . . . 7.5 1 1 608 1 . . . . . . . 4.5 1 1 609 1 . . . . . . . 5.1 1 1 610 1 . . . . . . . 6.0 1 1 611 1 . . . . . . . 7.5 1 1 612 1 . . . . . . . 6.4 1 1 613 1 . . . . . . . 6.3 1 1 614 1 . . . . . . . 6.3 1 1 615 1 . . . . . . . 7.5 1 1 616 1 . . . . . . . 4.9 1 1 617 1 . . . . . . . 5.7 1 1 618 1 . . . . . . . 5.6 1 1 619 1 . . . . . . . 4.2 1 1 620 1 . . . . . . . 4.7 1 1 621 1 . . . . . . . 3.4 1 1 622 1 . . . . . . . 6.5 1 1 623 1 . . . . . . . 3.5 1 1 624 1 . . . . . . . 5.8 1 1 625 1 . . . . . . . 3.4 1 1 626 1 . . . . . . . 3.4 1 1 627 1 . . . . . . . 6.2 1 1 628 1 . . . . . . . 6.1 1 1 629 1 . . . . . . . 7.4 1 1 630 1 . . . . . . . 4.1 1 1 631 1 . . . . . . . 5.3 1 1 632 1 . . . . . . . 4.8 1 1 633 1 . . . . . . . 5.4 1 1 634 1 . . . . . . . 5.6 1 1 635 1 . . . . . . . 3.6 1 1 636 1 . . . . . . . 6.2 1 1 637 1 . . . . . . . 3.8 1 1 638 1 . . . . . . . 3.7 1 1 639 1 . . . . . . . 4.9 1 1 640 1 . . . . . . . 6.4 1 1 641 1 . . . . . . . 6.5 1 1 642 1 . . . . . . . 3.8 1 1 643 1 . . . . . . . 4.4 1 1 644 1 . . . . . . . 4.6 1 1 645 1 . . . . . . . 2.5 1 1 646 1 . . . . . . . 4.6 1 1 647 1 . . . . . . . 4.7 1 1 648 1 . . . . . . . 6.5 1 1 649 1 . . . . . . . 3.1 1 1 650 1 . . . . . . . 3.4 1 1 651 1 . . . . . . . 3.6 1 1 652 1 . . . . . . . 3.5 1 1 653 1 . . . . . . . 5.9 1 1 654 1 . . . . . . . 5.8 1 1 655 1 . . . . . . . 5.6 1 1 656 1 . . . . . . . 3.1 1 1 657 1 . . . . . . . 3.8 1 1 658 1 . . . . . . . 6.5 1 1 659 1 . . . . . . . 4.3 1 1 660 1 . . . . . . . 4.1 1 1 661 1 . . . . . . . 6.1 1 1 662 1 . . . . . . . 5.3 1 1 663 1 . . . . . . . 5.6 1 1 664 1 . . . . . . . 4.7 1 1 665 1 . . . . . . . 7.5 1 1 666 1 . . . . . . . 5.9 1 1 667 1 . . . . . . . 3.6 1 1 668 1 . . . . . . . 4.3 1 1 669 1 . . . . . . . 6.5 1 1 670 1 . . . . . . . 5.6 1 1 671 1 . . . . . . . 4.2 1 1 672 1 . . . . . . . 4.9 1 1 673 1 . . . . . . . 4.1 1 1 674 1 . . . . . . . 3.6 1 1 675 1 . . . . . . . 4.2 1 1 676 1 . . . . . . . 4.4 1 1 677 1 . . . . . . . 5.4 1 1 678 1 . . . . . . . 4.1 1 1 679 1 . . . . . . . 5.2 1 1 680 1 . . . . . . . 5.0 1 1 681 1 . . . . . . . 7.5 1 1 682 1 . . . . . . . 7.5 1 1 683 1 . . . . . . . 7.5 1 1 684 1 . . . . . . . 4.2 1 1 685 1 . . . . . . . 5.0 1 1 686 1 . . . . . . . 5.8 1 1 687 1 . . . . . . . 6.1 1 1 688 1 . . . . . . . 4.6 1 1 689 1 . . . . . . . 5.6 1 1 690 1 . . . . . . . 5.5 1 1 691 1 . . . . . . . 4.6 1 1 692 1 . . . . . . . 6.5 1 1 693 1 . . . . . . . 4.5 1 1 694 1 . . . . . . . 6.5 1 1 695 1 . . . . . . . 5.4 1 1 696 1 . . . . . . . 4.2 1 1 697 1 . . . . . . . 4.0 1 1 698 1 . . . . . . . 4.5 1 1 699 1 . . . . . . . 5.9 1 1 700 1 . . . . . . . 4.6 1 1 701 1 . . . . . . . 4.3 1 1 702 1 . . . . . . . 5.7 1 1 703 1 . . . . . . . 4.3 1 1 704 1 . . . . . . . 7.1 1 1 705 1 . . . . . . . 3.7 1 1 706 1 . . . . . . . 3.7 1 1 707 1 . . . . . . . 5.0 1 1 708 1 . . . . . . . 5.1 1 1 709 1 . . . . . . . 4.3 1 1 710 1 . . . . . . . 5.9 1 1 711 1 . . . . . . . 5.4 1 1 712 1 . . . . . . . 4.6 1 1 713 1 . . . . . . . 6.7 1 1 714 1 . . . . . . . 3.5 1 1 715 1 . . . . . . . 3.6 1 1 716 1 . . . . . . . 6.5 1 1 717 1 . . . . . . . 5.3 1 1 718 1 . . . . . . . 4.5 1 1 719 1 . . . . . . . 4.3 1 1 720 1 . . . . . . . 7.5 1 1 721 1 . . . . . . . 7.3 1 1 722 1 . . . . . . . 4.1 1 1 723 1 . . . . . . . 4.7 1 1 724 1 . . . . . . . 5.6 1 1 725 1 . . . . . . . 6.5 1 1 726 1 . . . . . . . 6.5 1 1 727 1 . . . . . . . 3.9 1 1 728 1 . . . . . . . 3.8 1 1 729 1 . . . . . . . 4.5 1 1 730 1 . . . . . . . 5.1 1 1 731 1 . . . . . . . 5.9 1 1 732 1 . . . . . . . 6.3 1 1 733 1 . . . . . . . 5.2 1 1 734 1 . . . . . . . 5.0 1 1 735 1 . . . . . . . 3.7 1 1 736 1 . . . . . . . 4.3 1 1 737 1 . . . . . . . 6.1 1 1 738 1 . . . . . . . 5.6 1 1 739 1 . . . . . . . 5.7 1 1 740 1 . . . . . . . 5.7 1 1 741 1 . . . . . . . 4.9 1 1 742 1 . . . . . . . 4.1 1 1 743 1 . . . . . . . 6.5 1 1 744 1 . . . . . . . 4.8 1 1 745 1 . . . . . . . 6.5 1 1 746 1 . . . . . . . 6.3 1 1 747 1 . . . . . . . 6.4 1 1 748 1 . . . . . . . 6.6 1 1 749 1 . . . . . . . 7.3 1 1 750 1 . . . . . . . 7.5 1 1 751 1 . . . . . . . 3.7 1 1 752 1 . . . . . . . 3.8 1 1 753 1 . . . . . . . 4.3 1 1 754 1 . . . . . . . 5.6 1 1 755 1 . . . . . . . 4.5 1 1 756 1 . . . . . . . 6.5 1 1 757 1 . . . . . . . 5.6 1 1 758 1 . . . . . . . 6.3 1 1 759 1 . . . . . . . 4.9 1 1 760 1 . . . . . . . 6.2 1 1 761 1 . . . . . . . 5.1 1 1 762 1 . . . . . . . 4.8 1 1 763 1 . . . . . . . 3.8 1 1 764 1 . . . . . . . 6.7 1 1 765 1 . . . . . . . 4.0 1 1 766 1 . . . . . . . 4.1 1 1 767 1 . . . . . . . 4.3 1 1 768 1 . . . . . . . 3.3 1 1 769 1 . . . . . . . 4.6 1 1 770 1 . . . . . . . 5.1 1 1 771 1 . . . . . . . 2.8 1 1 772 1 . . . . . . . 4.7 1 1 773 1 . . . . . . . 3.6 1 1 774 1 . . . . . . . 4.7 1 1 775 1 . . . . . . . 5.6 1 1 776 1 . . . . . . . 6.0 1 1 777 1 . . . . . . . 6.1 1 1 778 1 . . . . . . . 5.2 1 1 779 1 . . . . . . . 4.0 1 1 780 1 . . . . . . . 5.1 1 1 781 1 . . . . . . . 4.7 1 1 782 1 . . . . . . . 3.7 1 1 783 1 . . . . . . . 4.0 1 1 784 1 . . . . . . . 4.0 1 1 785 1 . . . . . . . 4.5 1 1 786 1 . . . . . . . 4.4 1 1 787 1 . . . . . . . 3.3 1 1 788 1 . . . . . . . 5.3 1 1 789 1 . . . . . . . 4.6 1 1 790 1 . . . . . . . 4.2 1 1 791 1 . . . . . . . 7.5 1 1 792 1 . . . . . . . 5.0 1 1 793 1 . . . . . . . 3.7 1 1 794 1 . . . . . . . 5.5 1 1 795 1 . . . . . . . 5.5 1 1 796 1 . . . . . . . 6.7 1 1 797 1 . . . . . . . 4.0 1 1 798 1 . . . . . . . 4.4 1 1 799 1 . . . . . . . 4.6 1 1 800 1 . . . . . . . 4.9 1 1 801 1 . . . . . . . 6.0 1 1 802 1 . . . . . . . 6.5 1 1 803 1 . . . . . . . 4.0 1 1 804 1 . . . . . . . 4.4 1 1 805 1 . . . . . . . 5.6 1 1 806 1 . . . . . . . 3.7 1 1 807 1 . . . . . . . 5.9 1 1 808 1 . . . . . . . 5.4 1 1 809 1 . . . . . . . 6.5 1 1 810 1 . . . . . . . 5.8 1 1 811 1 . . . . . . . 4.6 1 1 812 1 . . . . . . . 4.9 1 1 813 1 . . . . . . . 4.1 1 1 814 1 . . . . . . . 6.5 1 1 815 1 . . . . . . . 4.8 1 1 816 1 . . . . . . . 4.3 1 1 817 1 . . . . . . . 4.8 1 1 818 1 . . . . . . . 4.1 1 1 819 1 . . . . . . . 4.1 1 1 820 1 . . . . . . . 4.1 1 1 821 1 . . . . . . . 6.5 1 1 822 1 . . . . . . . 5.8 1 1 823 1 . . . . . . . 7.0 1 1 824 1 . . . . . . . 5.8 1 1 825 1 . . . . . . . 4.9 1 1 826 1 . . . . . . . 3.5 1 1 827 1 . . . . . . . 6.5 1 1 828 1 . . . . . . . 4.8 1 1 829 1 . . . . . . . 4.4 1 1 830 1 . . . . . . . 3.5 1 1 831 1 . . . . . . . 6.5 1 1 832 1 . . . . . . . 6.2 1 1 833 1 . . . . . . . 6.5 1 1 834 1 . . . . . . . 3.8 1 1 835 1 . . . . . . . 5.8 1 1 836 1 . . . . . . . 5.1 1 1 837 1 . . . . . . . 3.0 1 1 838 1 . . . . . . . 4.6 1 1 839 1 . . . . . . . 6.1 1 1 840 1 . . . . . . . 5.6 1 1 841 1 . . . . . . . 4.9 1 1 842 1 . . . . . . . 2.9 1 1 843 1 . . . . . . . 5.6 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 ALA C C 8.966 4.198 -8.285 1.00 . A A . 1 ALA C 1 1 1 2 1 1 1 ALA CA C 9.865 4.774 -7.194 1.00 . A A . 1 ALA CA 1 1 1 3 1 1 1 ALA CB C 11.204 4.039 -7.064 1.00 . A A . 1 ALA CB 1 1 1 4 1 1 1 ALA H1 H 8.998 3.884 -5.533 1.00 . A A . 1 ALA H1 1 1 1 5 1 1 1 ALA H2 H 9.730 5.350 -5.268 1.00 . A A . 1 ALA H2 1 1 1 6 1 1 1 ALA H3 H 8.268 5.300 -5.998 1.00 . A A . 1 ALA H3 1 1 1 7 1 1 1 ALA HA H 10.082 5.808 -7.469 1.00 . A A . 1 ALA HA 1 1 1 8 1 1 1 ALA HB1 H 11.704 4.011 -8.034 1.00 . A A . 1 ALA HB1 1 1 1 9 1 1 1 ALA HB2 H 11.844 4.570 -6.358 1.00 . A A . 1 ALA HB2 1 1 1 10 1 1 1 ALA HB3 H 11.057 3.020 -6.704 1.00 . A A . 1 ALA HB3 1 1 1 11 1 1 1 ALA N N 9.145 4.807 -5.907 1.00 . A A . 1 ALA N 1 1 1 12 1 1 1 ALA O O 8.144 4.927 -8.837 1.00 . A A . 1 ALA O 1 1 1 13 1 1 2 ASP C C 7.695 0.880 -8.729 1.00 . A A . 2 ASP C 1 1 1 14 1 1 2 ASP CA C 8.212 2.134 -9.441 1.00 . A A . 2 ASP CA 1 1 1 15 1 1 2 ASP CB C 8.983 1.778 -10.720 1.00 . A A . 2 ASP CB 1 1 1 16 1 1 2 ASP CG C 10.330 1.102 -10.476 1.00 . A A . 2 ASP CG 1 1 1 17 1 1 2 ASP H H 9.906 2.374 -8.346 1.00 . A A . 2 ASP H 1 1 1 18 1 1 2 ASP HA H 7.361 2.769 -9.653 1.00 . A A . 2 ASP HA 1 1 1 19 1 1 2 ASP HB2 H 8.384 1.084 -11.308 1.00 . A A . 2 ASP HB2 1 1 1 20 1 1 2 ASP HB3 H 9.162 2.685 -11.297 1.00 . A A . 2 ASP HB3 1 1 1 21 1 1 2 ASP N N 9.068 2.900 -8.565 1.00 . A A . 2 ASP N 1 1 1 22 1 1 2 ASP O O 6.493 0.607 -8.749 1.00 . A A . 2 ASP O 1 1 1 23 1 1 2 ASP OD1 O 10.753 1.058 -9.296 1.00 . A A . 2 ASP OD1 1 1 1 24 1 1 2 ASP OD2 O 10.913 0.662 -11.487 1.00 . A A . 2 ASP OD2 1 1 1 25 1 1 3 VAL C C 9.217 -0.677 -5.880 1.00 . A A . 3 VAL C 1 1 1 26 1 1 3 VAL CA C 8.239 -0.832 -7.043 1.00 . A A . 3 VAL CA 1 1 1 27 1 1 3 VAL CB C 8.271 -2.254 -7.638 1.00 . A A . 3 VAL CB 1 1 1 28 1 1 3 VAL CG1 C 7.051 -2.507 -8.532 1.00 . A A . 3 VAL CG1 1 1 1 29 1 1 3 VAL CG2 C 9.551 -2.537 -8.437 1.00 . A A . 3 VAL CG2 1 1 1 30 1 1 3 VAL H H 9.571 0.389 -8.175 1.00 . A A . 3 VAL H 1 1 1 31 1 1 3 VAL HA H 7.238 -0.635 -6.656 1.00 . A A . 3 VAL HA 1 1 1 32 1 1 3 VAL HB H 8.220 -2.964 -6.810 1.00 . A A . 3 VAL HB 1 1 1 33 1 1 3 VAL HG11 H 6.136 -2.296 -7.979 1.00 . A A . 3 VAL HG11 1 1 1 34 1 1 3 VAL HG12 H 7.089 -1.877 -9.420 1.00 . A A . 3 VAL HG12 1 1 1 35 1 1 3 VAL HG13 H 7.037 -3.552 -8.843 1.00 . A A . 3 VAL HG13 1 1 1 36 1 1 3 VAL HG21 H 9.611 -1.889 -9.313 1.00 . A A . 3 VAL HG21 1 1 1 37 1 1 3 VAL HG22 H 10.432 -2.376 -7.816 1.00 . A A . 3 VAL HG22 1 1 1 38 1 1 3 VAL HG23 H 9.547 -3.574 -8.774 1.00 . A A . 3 VAL HG23 1 1 1 39 1 1 3 VAL N N 8.580 0.164 -8.043 1.00 . A A . 3 VAL N 1 1 1 40 1 1 3 VAL O O 10.383 -0.350 -6.091 1.00 . A A . 3 VAL O 1 1 1 41 1 1 4 VAL C C 9.033 -2.203 -2.692 1.00 . A A . 4 VAL C 1 1 1 42 1 1 4 VAL CA C 9.575 -1.008 -3.462 1.00 . A A . 4 VAL CA 1 1 1 43 1 1 4 VAL CB C 9.529 0.288 -2.634 1.00 . A A . 4 VAL CB 1 1 1 44 1 1 4 VAL CG1 C 10.162 0.137 -1.238 1.00 . A A . 4 VAL CG1 1 1 1 45 1 1 4 VAL CG2 C 10.258 1.421 -3.358 1.00 . A A . 4 VAL CG2 1 1 1 46 1 1 4 VAL H H 7.773 -1.167 -4.526 1.00 . A A . 4 VAL H 1 1 1 47 1 1 4 VAL HA H 10.613 -1.215 -3.711 1.00 . A A . 4 VAL HA 1 1 1 48 1 1 4 VAL HB H 8.490 0.582 -2.532 1.00 . A A . 4 VAL HB 1 1 1 49 1 1 4 VAL HG11 H 10.193 1.104 -0.735 1.00 . A A . 4 VAL HG11 1 1 1 50 1 1 4 VAL HG12 H 9.584 -0.542 -0.609 1.00 . A A . 4 VAL HG12 1 1 1 51 1 1 4 VAL HG13 H 11.179 -0.244 -1.324 1.00 . A A . 4 VAL HG13 1 1 1 52 1 1 4 VAL HG21 H 10.223 2.320 -2.744 1.00 . A A . 4 VAL HG21 1 1 1 53 1 1 4 VAL HG22 H 11.297 1.137 -3.524 1.00 . A A . 4 VAL HG22 1 1 1 54 1 1 4 VAL HG23 H 9.776 1.629 -4.311 1.00 . A A . 4 VAL HG23 1 1 1 55 1 1 4 VAL N N 8.744 -0.892 -4.652 1.00 . A A . 4 VAL N 1 1 1 56 1 1 4 VAL O O 7.908 -2.647 -2.946 1.00 . A A . 4 VAL O 1 1 1 57 1 1 5 THR C C 9.642 -2.987 0.684 1.00 . A A . 5 THR C 1 1 1 58 1 1 5 THR CA C 9.292 -3.540 -0.693 1.00 . A A . 5 THR CA 1 1 1 59 1 1 5 THR CB C 9.727 -5.003 -0.874 1.00 . A A . 5 THR CB 1 1 1 60 1 1 5 THR CG2 C 11.244 -5.208 -0.842 1.00 . A A . 5 THR CG2 1 1 1 61 1 1 5 THR H H 10.733 -2.304 -1.575 1.00 . A A . 5 THR H 1 1 1 62 1 1 5 THR HA H 8.214 -3.447 -0.765 1.00 . A A . 5 THR HA 1 1 1 63 1 1 5 THR HB H 9.352 -5.367 -1.831 1.00 . A A . 5 THR HB 1 1 1 64 1 1 5 THR HG1 H 8.385 -5.250 0.461 1.00 . A A . 5 THR HG1 1 1 1 65 1 1 5 THR HG21 H 11.464 -6.264 -1.001 1.00 . A A . 5 THR HG21 1 1 1 66 1 1 5 THR HG22 H 11.722 -4.626 -1.629 1.00 . A A . 5 THR HG22 1 1 1 67 1 1 5 THR HG23 H 11.650 -4.910 0.125 1.00 . A A . 5 THR HG23 1 1 1 68 1 1 5 THR N N 9.824 -2.712 -1.745 1.00 . A A . 5 THR N 1 1 1 69 1 1 5 THR O O 10.772 -2.568 0.922 1.00 . A A . 5 THR O 1 1 1 70 1 1 5 THR OG1 O 9.146 -5.761 0.158 1.00 . A A . 5 THR OG1 1 1 1 71 1 1 6 TYR C C 9.245 -4.333 3.499 1.00 . A A . 6 TYR C 1 1 1 72 1 1 6 TYR CA C 8.898 -2.935 3.014 1.00 . A A . 6 TYR CA 1 1 1 73 1 1 6 TYR CB C 7.682 -2.377 3.759 1.00 . A A . 6 TYR CB 1 1 1 74 1 1 6 TYR CD1 C 8.375 0.050 3.557 1.00 . A A . 6 TYR CD1 1 1 1 75 1 1 6 TYR CD2 C 6.082 -0.560 3.014 1.00 . A A . 6 TYR CD2 1 1 1 76 1 1 6 TYR CE1 C 8.117 1.371 3.162 1.00 . A A . 6 TYR CE1 1 1 1 77 1 1 6 TYR CE2 C 5.821 0.770 2.644 1.00 . A A . 6 TYR CE2 1 1 1 78 1 1 6 TYR CG C 7.365 -0.926 3.459 1.00 . A A . 6 TYR CG 1 1 1 79 1 1 6 TYR CZ C 6.823 1.745 2.771 1.00 . A A . 6 TYR CZ 1 1 1 80 1 1 6 TYR H H 7.760 -3.388 1.293 1.00 . A A . 6 TYR H 1 1 1 81 1 1 6 TYR HA H 9.742 -2.286 3.210 1.00 . A A . 6 TYR HA 1 1 1 82 1 1 6 TYR HB2 H 6.816 -2.998 3.536 1.00 . A A . 6 TYR HB2 1 1 1 83 1 1 6 TYR HB3 H 7.884 -2.453 4.829 1.00 . A A . 6 TYR HB3 1 1 1 84 1 1 6 TYR HD1 H 9.363 -0.206 3.906 1.00 . A A . 6 TYR HD1 1 1 1 85 1 1 6 TYR HD2 H 5.320 -1.310 2.873 1.00 . A A . 6 TYR HD2 1 1 1 86 1 1 6 TYR HE1 H 8.934 2.077 3.112 1.00 . A A . 6 TYR HE1 1 1 1 87 1 1 6 TYR HE2 H 4.896 1.008 2.144 1.00 . A A . 6 TYR HE2 1 1 1 88 1 1 6 TYR HH H 7.353 3.586 2.470 1.00 . A A . 6 TYR HH 1 1 1 89 1 1 6 TYR N N 8.658 -3.023 1.588 1.00 . A A . 6 TYR N 1 1 1 90 1 1 6 TYR O O 8.363 -5.183 3.631 1.00 . A A . 6 TYR O 1 1 1 91 1 1 6 TYR OH O 6.538 3.053 2.515 1.00 . A A . 6 TYR OH 1 1 1 92 1 1 7 GLU C C 10.549 -5.830 5.819 1.00 . A A . 7 GLU C 1 1 1 93 1 1 7 GLU CA C 10.974 -5.808 4.348 1.00 . A A . 7 GLU CA 1 1 1 94 1 1 7 GLU CB C 12.482 -6.024 4.143 1.00 . A A . 7 GLU CB 1 1 1 95 1 1 7 GLU CD C 14.851 -5.159 4.427 1.00 . A A . 7 GLU CD 1 1 1 96 1 1 7 GLU CG C 13.365 -4.837 4.562 1.00 . A A . 7 GLU CG 1 1 1 97 1 1 7 GLU H H 11.215 -3.851 3.572 1.00 . A A . 7 GLU H 1 1 1 98 1 1 7 GLU HA H 10.456 -6.610 3.833 1.00 . A A . 7 GLU HA 1 1 1 99 1 1 7 GLU HB2 H 12.788 -6.896 4.722 1.00 . A A . 7 GLU HB2 1 1 1 100 1 1 7 GLU HB3 H 12.679 -6.226 3.089 1.00 . A A . 7 GLU HB3 1 1 1 101 1 1 7 GLU HG2 H 13.165 -3.967 3.938 1.00 . A A . 7 GLU HG2 1 1 1 102 1 1 7 GLU HG3 H 13.176 -4.577 5.603 1.00 . A A . 7 GLU HG3 1 1 1 103 1 1 7 GLU N N 10.535 -4.579 3.727 1.00 . A A . 7 GLU N 1 1 1 104 1 1 7 GLU O O 10.682 -4.837 6.528 1.00 . A A . 7 GLU O 1 1 1 105 1 1 7 GLU OE1 O 15.174 -6.366 4.358 1.00 . A A . 7 GLU OE1 1 1 1 106 1 1 7 GLU OE2 O 15.638 -4.190 4.394 1.00 . A A . 7 GLU OE2 1 1 1 107 1 1 8 ASN C C 9.657 -8.658 7.972 1.00 . A A . 8 ASN C 1 1 1 108 1 1 8 ASN CA C 9.589 -7.173 7.648 1.00 . A A . 8 ASN CA 1 1 1 109 1 1 8 ASN CB C 8.180 -6.611 7.888 1.00 . A A . 8 ASN CB 1 1 1 110 1 1 8 ASN CG C 7.169 -7.010 6.824 1.00 . A A . 8 ASN CG 1 1 1 111 1 1 8 ASN H H 9.905 -7.756 5.649 1.00 . A A . 8 ASN H 1 1 1 112 1 1 8 ASN HA H 10.282 -6.654 8.313 1.00 . A A . 8 ASN HA 1 1 1 113 1 1 8 ASN HB2 H 7.787 -6.953 8.843 1.00 . A A . 8 ASN HB2 1 1 1 114 1 1 8 ASN HB3 H 8.267 -5.529 7.915 1.00 . A A . 8 ASN HB3 1 1 1 115 1 1 8 ASN HD21 H 6.694 -5.087 6.546 1.00 . A A . 8 ASN HD21 1 1 1 116 1 1 8 ASN HD22 H 5.918 -6.209 5.422 1.00 . A A . 8 ASN HD22 1 1 1 117 1 1 8 ASN N N 10.017 -6.968 6.272 1.00 . A A . 8 ASN N 1 1 1 118 1 1 8 ASN ND2 N 6.554 -6.036 6.175 1.00 . A A . 8 ASN ND2 1 1 1 119 1 1 8 ASN O O 9.561 -9.493 7.074 1.00 . A A . 8 ASN O 1 1 1 120 1 1 8 ASN OD1 O 6.930 -8.190 6.598 1.00 . A A . 8 ASN OD1 1 1 1 121 1 1 9 LYS C C 8.810 -11.202 9.358 1.00 . A A . 9 LYS C 1 1 1 122 1 1 9 LYS CA C 10.012 -10.343 9.739 1.00 . A A . 9 LYS CA 1 1 1 123 1 1 9 LYS CB C 10.216 -10.335 11.261 1.00 . A A . 9 LYS CB 1 1 1 124 1 1 9 LYS CD C 9.654 -12.312 12.821 1.00 . A A . 9 LYS CD 1 1 1 125 1 1 9 LYS CE C 8.317 -12.734 12.190 1.00 . A A . 9 LYS CE 1 1 1 126 1 1 9 LYS CG C 10.626 -11.723 11.786 1.00 . A A . 9 LYS CG 1 1 1 127 1 1 9 LYS H H 9.921 -8.226 9.929 1.00 . A A . 9 LYS H 1 1 1 128 1 1 9 LYS HA H 10.905 -10.754 9.263 1.00 . A A . 9 LYS HA 1 1 1 129 1 1 9 LYS HB2 H 11.019 -9.634 11.495 1.00 . A A . 9 LYS HB2 1 1 1 130 1 1 9 LYS HB3 H 9.309 -9.985 11.756 1.00 . A A . 9 LYS HB3 1 1 1 131 1 1 9 LYS HD2 H 10.141 -13.188 13.255 1.00 . A A . 9 LYS HD2 1 1 1 132 1 1 9 LYS HD3 H 9.490 -11.579 13.614 1.00 . A A . 9 LYS HD3 1 1 1 133 1 1 9 LYS HE2 H 7.779 -11.849 11.848 1.00 . A A . 9 LYS HE2 1 1 1 134 1 1 9 LYS HE3 H 8.509 -13.387 11.335 1.00 . A A . 9 LYS HE3 1 1 1 135 1 1 9 LYS HG2 H 10.746 -12.424 10.958 1.00 . A A . 9 LYS HG2 1 1 1 136 1 1 9 LYS HG3 H 11.601 -11.616 12.265 1.00 . A A . 9 LYS HG3 1 1 1 137 1 1 9 LYS HZ1 H 7.224 -12.866 13.928 1.00 . A A . 9 LYS HZ1 1 1 1 138 1 1 9 LYS HZ2 H 6.591 -13.722 12.676 1.00 . A A . 9 LYS HZ2 1 1 1 139 1 1 9 LYS HZ3 H 7.910 -14.296 13.468 1.00 . A A . 9 LYS HZ3 1 1 1 140 1 1 9 LYS N N 9.842 -8.977 9.259 1.00 . A A . 9 LYS N 1 1 1 141 1 1 9 LYS NZ N 7.449 -13.458 13.140 1.00 . A A . 9 LYS NZ 1 1 1 142 1 1 9 LYS O O 8.964 -12.370 9.013 1.00 . A A . 9 LYS O 1 1 1 143 1 1 10 LYS C C 6.647 -11.766 7.531 1.00 . A A . 10 LYS C 1 1 1 144 1 1 10 LYS CA C 6.380 -11.152 8.915 1.00 . A A . 10 LYS CA 1 1 1 145 1 1 10 LYS CB C 5.339 -10.020 8.919 1.00 . A A . 10 LYS CB 1 1 1 146 1 1 10 LYS CD C 3.769 -11.593 7.654 1.00 . A A . 10 LYS CD 1 1 1 147 1 1 10 LYS CE C 2.307 -11.766 7.976 1.00 . A A . 10 LYS CE 1 1 1 148 1 1 10 LYS CG C 4.274 -10.149 7.834 1.00 . A A . 10 LYS CG 1 1 1 149 1 1 10 LYS H H 7.595 -9.659 9.779 1.00 . A A . 10 LYS H 1 1 1 150 1 1 10 LYS HA H 5.912 -11.925 9.537 1.00 . A A . 10 LYS HA 1 1 1 151 1 1 10 LYS HB2 H 4.852 -10.003 9.896 1.00 . A A . 10 LYS HB2 1 1 1 152 1 1 10 LYS HB3 H 5.826 -9.055 8.777 1.00 . A A . 10 LYS HB3 1 1 1 153 1 1 10 LYS HD2 H 3.971 -11.949 6.642 1.00 . A A . 10 LYS HD2 1 1 1 154 1 1 10 LYS HD3 H 4.243 -12.286 8.342 1.00 . A A . 10 LYS HD3 1 1 1 155 1 1 10 LYS HE2 H 2.201 -12.820 8.230 1.00 . A A . 10 LYS HE2 1 1 1 156 1 1 10 LYS HE3 H 2.113 -11.178 8.871 1.00 . A A . 10 LYS HE3 1 1 1 157 1 1 10 LYS HG2 H 3.477 -9.436 8.058 1.00 . A A . 10 LYS HG2 1 1 1 158 1 1 10 LYS HG3 H 4.755 -9.823 6.916 1.00 . A A . 10 LYS HG3 1 1 1 159 1 1 10 LYS HZ1 H 1.559 -10.433 6.593 1.00 . A A . 10 LYS HZ1 1 1 1 160 1 1 10 LYS HZ2 H 1.782 -11.968 6.003 1.00 . A A . 10 LYS HZ2 1 1 1 161 1 1 10 LYS HZ3 H 0.500 -11.639 6.987 1.00 . A A . 10 LYS HZ3 1 1 1 162 1 1 10 LYS N N 7.613 -10.618 9.467 1.00 . A A . 10 LYS N 1 1 1 163 1 1 10 LYS NZ N 1.468 -11.418 6.810 1.00 . A A . 10 LYS NZ 1 1 1 164 1 1 10 LYS O O 6.425 -12.960 7.331 1.00 . A A . 10 LYS O 1 1 1 165 1 1 11 GLY C C 6.751 -10.000 4.338 1.00 . A A . 11 GLY C 1 1 1 166 1 1 11 GLY CA C 6.719 -11.259 5.177 1.00 . A A . 11 GLY CA 1 1 1 167 1 1 11 GLY H H 7.251 -9.978 6.765 1.00 . A A . 11 GLY H 1 1 1 168 1 1 11 GLY HA2 H 7.399 -12.021 4.793 1.00 . A A . 11 GLY HA2 1 1 1 169 1 1 11 GLY HA3 H 5.691 -11.604 5.144 1.00 . A A . 11 GLY HA3 1 1 1 170 1 1 11 GLY N N 7.017 -10.944 6.554 1.00 . A A . 11 GLY N 1 1 1 171 1 1 11 GLY O O 5.740 -9.309 4.229 1.00 . A A . 11 GLY O 1 1 1 172 1 1 12 ASN C C 7.044 -8.110 2.125 1.00 . A A . 12 ASN C 1 1 1 173 1 1 12 ASN CA C 8.230 -8.513 3.007 1.00 . A A . 12 ASN CA 1 1 1 174 1 1 12 ASN CB C 9.480 -8.754 2.129 1.00 . A A . 12 ASN CB 1 1 1 175 1 1 12 ASN CG C 10.465 -9.753 2.738 1.00 . A A . 12 ASN CG 1 1 1 176 1 1 12 ASN H H 8.666 -10.367 3.972 1.00 . A A . 12 ASN H 1 1 1 177 1 1 12 ASN HA H 8.409 -7.721 3.745 1.00 . A A . 12 ASN HA 1 1 1 178 1 1 12 ASN HB2 H 9.162 -9.180 1.176 1.00 . A A . 12 ASN HB2 1 1 1 179 1 1 12 ASN HB3 H 9.975 -7.807 1.911 1.00 . A A . 12 ASN HB3 1 1 1 180 1 1 12 ASN HD21 H 11.386 -8.349 3.893 1.00 . A A . 12 ASN HD21 1 1 1 181 1 1 12 ASN HD22 H 11.913 -9.996 4.114 1.00 . A A . 12 ASN HD22 1 1 1 182 1 1 12 ASN N N 7.922 -9.712 3.781 1.00 . A A . 12 ASN N 1 1 1 183 1 1 12 ASN ND2 N 11.315 -9.323 3.662 1.00 . A A . 12 ASN ND2 1 1 1 184 1 1 12 ASN O O 6.572 -8.907 1.311 1.00 . A A . 12 ASN O 1 1 1 185 1 1 12 ASN OD1 O 10.401 -10.944 2.446 1.00 . A A . 12 ASN OD1 1 1 1 186 1 1 13 VAL C C 6.050 -5.714 0.289 1.00 . A A . 13 VAL C 1 1 1 187 1 1 13 VAL CA C 5.441 -6.370 1.507 1.00 . A A . 13 VAL CA 1 1 1 188 1 1 13 VAL CB C 4.628 -5.339 2.298 1.00 . A A . 13 VAL CB 1 1 1 189 1 1 13 VAL CG1 C 3.575 -4.685 1.396 1.00 . A A . 13 VAL CG1 1 1 1 190 1 1 13 VAL CG2 C 3.943 -6.027 3.469 1.00 . A A . 13 VAL CG2 1 1 1 191 1 1 13 VAL H H 7.021 -6.249 2.933 1.00 . A A . 13 VAL H 1 1 1 192 1 1 13 VAL HA H 4.770 -7.174 1.200 1.00 . A A . 13 VAL HA 1 1 1 193 1 1 13 VAL HB H 5.286 -4.566 2.696 1.00 . A A . 13 VAL HB 1 1 1 194 1 1 13 VAL HG11 H 3.099 -5.435 0.763 1.00 . A A . 13 VAL HG11 1 1 1 195 1 1 13 VAL HG12 H 2.811 -4.212 2.003 1.00 . A A . 13 VAL HG12 1 1 1 196 1 1 13 VAL HG13 H 4.047 -3.927 0.770 1.00 . A A . 13 VAL HG13 1 1 1 197 1 1 13 VAL HG21 H 3.155 -6.687 3.109 1.00 . A A . 13 VAL HG21 1 1 1 198 1 1 13 VAL HG22 H 4.687 -6.597 4.015 1.00 . A A . 13 VAL HG22 1 1 1 199 1 1 13 VAL HG23 H 3.523 -5.283 4.136 1.00 . A A . 13 VAL HG23 1 1 1 200 1 1 13 VAL N N 6.542 -6.887 2.303 1.00 . A A . 13 VAL N 1 1 1 201 1 1 13 VAL O O 6.656 -4.653 0.429 1.00 . A A . 13 VAL O 1 1 1 202 1 1 14 THR C C 4.968 -4.788 -2.435 1.00 . A A . 14 THR C 1 1 1 203 1 1 14 THR CA C 6.186 -5.647 -2.133 1.00 . A A . 14 THR CA 1 1 1 204 1 1 14 THR CB C 6.470 -6.676 -3.231 1.00 . A A . 14 THR CB 1 1 1 205 1 1 14 THR CG2 C 6.841 -5.996 -4.552 1.00 . A A . 14 THR CG2 1 1 1 206 1 1 14 THR H H 5.298 -7.138 -0.922 1.00 . A A . 14 THR H 1 1 1 207 1 1 14 THR HA H 7.064 -5.013 -2.027 1.00 . A A . 14 THR HA 1 1 1 208 1 1 14 THR HB H 5.590 -7.304 -3.384 1.00 . A A . 14 THR HB 1 1 1 209 1 1 14 THR HG1 H 7.430 -7.729 -1.902 1.00 . A A . 14 THR HG1 1 1 1 210 1 1 14 THR HG21 H 7.697 -5.336 -4.406 1.00 . A A . 14 THR HG21 1 1 1 211 1 1 14 THR HG22 H 7.101 -6.756 -5.289 1.00 . A A . 14 THR HG22 1 1 1 212 1 1 14 THR HG23 H 6.000 -5.415 -4.931 1.00 . A A . 14 THR HG23 1 1 1 213 1 1 14 THR N N 5.898 -6.325 -0.883 1.00 . A A . 14 THR N 1 1 1 214 1 1 14 THR O O 3.852 -5.305 -2.421 1.00 . A A . 14 THR O 1 1 1 215 1 1 14 THR OG1 O 7.558 -7.481 -2.822 1.00 . A A . 14 THR OG1 1 1 1 216 1 1 15 PHE C C 4.360 -1.936 -4.335 1.00 . A A . 15 PHE C 1 1 1 217 1 1 15 PHE CA C 4.081 -2.585 -2.987 1.00 . A A . 15 PHE CA 1 1 1 218 1 1 15 PHE CB C 3.842 -1.558 -1.876 1.00 . A A . 15 PHE CB 1 1 1 219 1 1 15 PHE CD1 C 5.937 -1.219 -0.527 1.00 . A A . 15 PHE CD1 1 1 1 220 1 1 15 PHE CD2 C 5.170 0.587 -1.974 1.00 . A A . 15 PHE CD2 1 1 1 221 1 1 15 PHE CE1 C 6.958 -0.393 -0.044 1.00 . A A . 15 PHE CE1 1 1 1 222 1 1 15 PHE CE2 C 6.178 1.420 -1.466 1.00 . A A . 15 PHE CE2 1 1 1 223 1 1 15 PHE CG C 5.031 -0.722 -1.478 1.00 . A A . 15 PHE CG 1 1 1 224 1 1 15 PHE CZ C 7.038 0.941 -0.463 1.00 . A A . 15 PHE CZ 1 1 1 225 1 1 15 PHE H H 6.111 -3.108 -2.680 1.00 . A A . 15 PHE H 1 1 1 226 1 1 15 PHE HA H 3.142 -3.134 -3.075 1.00 . A A . 15 PHE HA 1 1 1 227 1 1 15 PHE HB2 H 3.031 -0.896 -2.183 1.00 . A A . 15 PHE HB2 1 1 1 228 1 1 15 PHE HB3 H 3.520 -2.086 -0.982 1.00 . A A . 15 PHE HB3 1 1 1 229 1 1 15 PHE HD1 H 5.838 -2.225 -0.146 1.00 . A A . 15 PHE HD1 1 1 1 230 1 1 15 PHE HD2 H 4.514 0.948 -2.755 1.00 . A A . 15 PHE HD2 1 1 1 231 1 1 15 PHE HE1 H 7.647 -0.753 0.703 1.00 . A A . 15 PHE HE1 1 1 1 232 1 1 15 PHE HE2 H 6.309 2.415 -1.866 1.00 . A A . 15 PHE HE2 1 1 1 233 1 1 15 PHE HZ H 7.828 1.556 -0.069 1.00 . A A . 15 PHE HZ 1 1 1 234 1 1 15 PHE N N 5.166 -3.488 -2.654 1.00 . A A . 15 PHE N 1 1 1 235 1 1 15 PHE O O 5.371 -1.258 -4.532 1.00 . A A . 15 PHE O 1 1 1 236 1 1 16 ASP C C 3.372 0.140 -6.086 1.00 . A A . 16 ASP C 1 1 1 237 1 1 16 ASP CA C 3.183 -1.337 -6.417 1.00 . A A . 16 ASP CA 1 1 1 238 1 1 16 ASP CB C 1.718 -1.539 -6.800 1.00 . A A . 16 ASP CB 1 1 1 239 1 1 16 ASP CG C 1.392 -2.966 -7.198 1.00 . A A . 16 ASP CG 1 1 1 240 1 1 16 ASP H H 2.719 -2.877 -5.113 1.00 . A A . 16 ASP H 1 1 1 241 1 1 16 ASP HA H 3.831 -1.649 -7.237 1.00 . A A . 16 ASP HA 1 1 1 242 1 1 16 ASP HB2 H 1.103 -1.294 -5.934 1.00 . A A . 16 ASP HB2 1 1 1 243 1 1 16 ASP HB3 H 1.468 -0.859 -7.605 1.00 . A A . 16 ASP HB3 1 1 1 244 1 1 16 ASP N N 3.428 -2.159 -5.257 1.00 . A A . 16 ASP N 1 1 1 245 1 1 16 ASP O O 2.793 0.638 -5.119 1.00 . A A . 16 ASP O 1 1 1 246 1 1 16 ASP OD1 O 1.575 -3.840 -6.320 1.00 . A A . 16 ASP OD1 1 1 1 247 1 1 16 ASP OD2 O 0.968 -3.137 -8.360 1.00 . A A . 16 ASP OD2 1 1 1 248 1 1 17 HIS C C 3.740 2.799 -8.273 1.00 . A A . 17 HIS C 1 1 1 249 1 1 17 HIS CA C 4.183 2.298 -6.896 1.00 . A A . 17 HIS CA 1 1 1 250 1 1 17 HIS CB C 5.587 2.735 -6.458 1.00 . A A . 17 HIS CB 1 1 1 251 1 1 17 HIS CD2 C 5.320 4.911 -5.172 1.00 . A A . 17 HIS CD2 1 1 1 252 1 1 17 HIS CE1 C 5.918 6.345 -6.719 1.00 . A A . 17 HIS CE1 1 1 1 253 1 1 17 HIS CG C 5.719 4.213 -6.273 1.00 . A A . 17 HIS CG 1 1 1 254 1 1 17 HIS H H 4.656 0.372 -7.646 1.00 . A A . 17 HIS H 1 1 1 255 1 1 17 HIS HA H 3.475 2.699 -6.168 1.00 . A A . 17 HIS HA 1 1 1 256 1 1 17 HIS HB2 H 5.817 2.251 -5.507 1.00 . A A . 17 HIS HB2 1 1 1 257 1 1 17 HIS HB3 H 6.336 2.433 -7.177 1.00 . A A . 17 HIS HB3 1 1 1 258 1 1 17 HIS HD1 H 6.414 4.923 -8.176 1.00 . A A . 17 HIS HD1 1 1 1 259 1 1 17 HIS HD2 H 4.892 4.488 -4.279 1.00 . A A . 17 HIS HD2 1 1 1 260 1 1 17 HIS HE1 H 6.068 7.266 -7.257 1.00 . A A . 17 HIS HE1 1 1 1 261 1 1 17 HIS N N 4.133 0.849 -6.920 1.00 . A A . 17 HIS N 1 1 1 262 1 1 17 HIS ND1 N 6.077 5.121 -7.239 1.00 . A A . 17 HIS ND1 1 1 1 263 1 1 17 HIS NE2 N 5.441 6.267 -5.471 1.00 . A A . 17 HIS NE2 1 1 1 264 1 1 17 HIS O O 2.681 3.403 -8.404 1.00 . A A . 17 HIS O 1 1 1 265 1 1 18 LYS C C 2.836 2.392 -11.113 1.00 . A A . 18 LYS C 1 1 1 266 1 1 18 LYS CA C 4.258 2.774 -10.715 1.00 . A A . 18 LYS CA 1 1 1 267 1 1 18 LYS CB C 5.279 2.004 -11.571 1.00 . A A . 18 LYS CB 1 1 1 268 1 1 18 LYS CD C 6.522 1.908 -13.731 1.00 . A A . 18 LYS CD 1 1 1 269 1 1 18 LYS CE C 6.793 2.592 -15.077 1.00 . A A . 18 LYS CE 1 1 1 270 1 1 18 LYS CG C 5.315 2.512 -13.000 1.00 . A A . 18 LYS CG 1 1 1 271 1 1 18 LYS H H 5.332 1.931 -9.104 1.00 . A A . 18 LYS H 1 1 1 272 1 1 18 LYS HA H 4.396 3.846 -10.857 1.00 . A A . 18 LYS HA 1 1 1 273 1 1 18 LYS HB2 H 6.263 2.207 -11.200 1.00 . A A . 18 LYS HB2 1 1 1 274 1 1 18 LYS HB3 H 5.152 0.925 -11.535 1.00 . A A . 18 LYS HB3 1 1 1 275 1 1 18 LYS HD2 H 7.415 1.979 -13.105 1.00 . A A . 18 LYS HD2 1 1 1 276 1 1 18 LYS HD3 H 6.318 0.848 -13.900 1.00 . A A . 18 LYS HD3 1 1 1 277 1 1 18 LYS HE2 H 7.504 1.980 -15.637 1.00 . A A . 18 LYS HE2 1 1 1 278 1 1 18 LYS HE3 H 5.865 2.652 -15.650 1.00 . A A . 18 LYS HE3 1 1 1 279 1 1 18 LYS HG2 H 4.384 2.281 -13.518 1.00 . A A . 18 LYS HG2 1 1 1 280 1 1 18 LYS HG3 H 5.421 3.581 -12.877 1.00 . A A . 18 LYS HG3 1 1 1 281 1 1 18 LYS HZ1 H 8.238 3.879 -14.383 1.00 . A A . 18 LYS HZ1 1 1 1 282 1 1 18 LYS HZ2 H 7.563 4.351 -15.806 1.00 . A A . 18 LYS HZ2 1 1 1 283 1 1 18 LYS HZ3 H 6.729 4.536 -14.402 1.00 . A A . 18 LYS HZ3 1 1 1 284 1 1 18 LYS N N 4.512 2.475 -9.312 1.00 . A A . 18 LYS N 1 1 1 285 1 1 18 LYS NZ N 7.372 3.940 -14.902 1.00 . A A . 18 LYS NZ 1 1 1 286 1 1 18 LYS O O 2.019 3.232 -11.464 1.00 . A A . 18 LYS O 1 1 1 287 1 1 19 ALA C C 0.154 1.292 -10.607 1.00 . A A . 19 ALA C 1 1 1 288 1 1 19 ALA CA C 1.262 0.500 -11.299 1.00 . A A . 19 ALA CA 1 1 1 289 1 1 19 ALA CB C 1.286 -0.920 -10.759 1.00 . A A . 19 ALA CB 1 1 1 290 1 1 19 ALA H H 3.348 0.499 -10.847 1.00 . A A . 19 ALA H 1 1 1 291 1 1 19 ALA HA H 1.067 0.455 -12.370 1.00 . A A . 19 ALA HA 1 1 1 292 1 1 19 ALA HB1 H 1.981 -1.531 -11.333 1.00 . A A . 19 ALA HB1 1 1 1 293 1 1 19 ALA HB2 H 1.618 -0.864 -9.727 1.00 . A A . 19 ALA HB2 1 1 1 294 1 1 19 ALA HB3 H 0.286 -1.351 -10.801 1.00 . A A . 19 ALA HB3 1 1 1 295 1 1 19 ALA N N 2.566 1.094 -11.059 1.00 . A A . 19 ALA N 1 1 1 296 1 1 19 ALA O O -0.738 1.824 -11.258 1.00 . A A . 19 ALA O 1 1 1 297 1 1 20 HIS C C -0.892 3.554 -9.036 1.00 . A A . 20 HIS C 1 1 1 298 1 1 20 HIS CA C -0.804 2.115 -8.524 1.00 . A A . 20 HIS CA 1 1 1 299 1 1 20 HIS CB C -0.508 2.009 -7.019 1.00 . A A . 20 HIS CB 1 1 1 300 1 1 20 HIS CD2 C -1.590 0.501 -5.207 1.00 . A A . 20 HIS CD2 1 1 1 301 1 1 20 HIS CE1 C -1.707 -1.364 -6.331 1.00 . A A . 20 HIS CE1 1 1 1 302 1 1 20 HIS CG C -1.003 0.706 -6.433 1.00 . A A . 20 HIS CG 1 1 1 303 1 1 20 HIS H H 1.024 1.057 -8.788 1.00 . A A . 20 HIS H 1 1 1 304 1 1 20 HIS HA H -1.776 1.658 -8.717 1.00 . A A . 20 HIS HA 1 1 1 305 1 1 20 HIS HB2 H 0.563 2.110 -6.835 1.00 . A A . 20 HIS HB2 1 1 1 306 1 1 20 HIS HB3 H -1.007 2.824 -6.506 1.00 . A A . 20 HIS HB3 1 1 1 307 1 1 20 HIS HD1 H -0.755 -0.645 -8.063 1.00 . A A . 20 HIS HD1 1 1 1 308 1 1 20 HIS HD2 H -1.740 1.235 -4.437 1.00 . A A . 20 HIS HD2 1 1 1 309 1 1 20 HIS HE1 H -1.911 -2.374 -6.633 1.00 . A A . 20 HIS HE1 1 1 1 310 1 1 20 HIS N N 0.208 1.390 -9.277 1.00 . A A . 20 HIS N 1 1 1 311 1 1 20 HIS ND1 N -1.100 -0.473 -7.129 1.00 . A A . 20 HIS ND1 1 1 1 312 1 1 20 HIS NE2 N -2.042 -0.822 -5.147 1.00 . A A . 20 HIS NE2 1 1 1 313 1 1 20 HIS O O -1.974 4.117 -9.166 1.00 . A A . 20 HIS O 1 1 1 314 1 1 21 ALA C C -0.570 5.545 -11.245 1.00 . A A . 21 ALA C 1 1 1 315 1 1 21 ALA CA C 0.249 5.487 -9.947 1.00 . A A . 21 ALA CA 1 1 1 316 1 1 21 ALA CB C 1.686 5.992 -10.103 1.00 . A A . 21 ALA CB 1 1 1 317 1 1 21 ALA H H 1.100 3.588 -9.373 1.00 . A A . 21 ALA H 1 1 1 318 1 1 21 ALA HA H -0.236 6.142 -9.222 1.00 . A A . 21 ALA HA 1 1 1 319 1 1 21 ALA HB1 H 2.244 5.789 -9.188 1.00 . A A . 21 ALA HB1 1 1 1 320 1 1 21 ALA HB2 H 2.197 5.503 -10.927 1.00 . A A . 21 ALA HB2 1 1 1 321 1 1 21 ALA HB3 H 1.668 7.064 -10.292 1.00 . A A . 21 ALA HB3 1 1 1 322 1 1 21 ALA N N 0.243 4.141 -9.400 1.00 . A A . 21 ALA N 1 1 1 323 1 1 21 ALA O O -1.490 6.343 -11.357 1.00 . A A . 21 ALA O 1 1 1 324 1 1 22 GLU C C -2.444 4.333 -13.389 1.00 . A A . 22 GLU C 1 1 1 325 1 1 22 GLU CA C -0.967 4.708 -13.512 1.00 . A A . 22 GLU CA 1 1 1 326 1 1 22 GLU CB C -0.254 3.865 -14.585 1.00 . A A . 22 GLU CB 1 1 1 327 1 1 22 GLU CD C 0.406 1.577 -15.432 1.00 . A A . 22 GLU CD 1 1 1 328 1 1 22 GLU CG C 0.030 2.406 -14.214 1.00 . A A . 22 GLU CG 1 1 1 329 1 1 22 GLU H H 0.361 3.946 -11.988 1.00 . A A . 22 GLU H 1 1 1 330 1 1 22 GLU HA H -0.939 5.739 -13.870 1.00 . A A . 22 GLU HA 1 1 1 331 1 1 22 GLU HB2 H -0.890 3.858 -15.471 1.00 . A A . 22 GLU HB2 1 1 1 332 1 1 22 GLU HB3 H 0.694 4.335 -14.848 1.00 . A A . 22 GLU HB3 1 1 1 333 1 1 22 GLU HG2 H 0.856 2.378 -13.510 1.00 . A A . 22 GLU HG2 1 1 1 334 1 1 22 GLU HG3 H -0.846 1.945 -13.770 1.00 . A A . 22 GLU HG3 1 1 1 335 1 1 22 GLU N N -0.292 4.677 -12.216 1.00 . A A . 22 GLU N 1 1 1 336 1 1 22 GLU O O -3.295 4.980 -13.997 1.00 . A A . 22 GLU O 1 1 1 337 1 1 22 GLU OE1 O 1.573 1.690 -15.862 1.00 . A A . 22 GLU OE1 1 1 1 338 1 1 22 GLU OE2 O -0.489 0.838 -15.906 1.00 . A A . 22 GLU OE2 1 1 1 339 1 1 23 LYS C C -4.963 3.810 -11.739 1.00 . A A . 23 LYS C 1 1 1 340 1 1 23 LYS CA C -4.125 2.801 -12.519 1.00 . A A . 23 LYS CA 1 1 1 341 1 1 23 LYS CB C -4.177 1.430 -11.832 1.00 . A A . 23 LYS CB 1 1 1 342 1 1 23 LYS CD C -3.582 0.178 -14.007 1.00 . A A . 23 LYS CD 1 1 1 343 1 1 23 LYS CE C -2.837 -1.079 -14.481 1.00 . A A . 23 LYS CE 1 1 1 344 1 1 23 LYS CG C -3.353 0.324 -12.503 1.00 . A A . 23 LYS CG 1 1 1 345 1 1 23 LYS H H -2.018 2.778 -12.151 1.00 . A A . 23 LYS H 1 1 1 346 1 1 23 LYS HA H -4.561 2.708 -13.515 1.00 . A A . 23 LYS HA 1 1 1 347 1 1 23 LYS HB2 H -3.827 1.528 -10.804 1.00 . A A . 23 LYS HB2 1 1 1 348 1 1 23 LYS HB3 H -5.217 1.111 -11.805 1.00 . A A . 23 LYS HB3 1 1 1 349 1 1 23 LYS HD2 H -4.650 0.087 -14.215 1.00 . A A . 23 LYS HD2 1 1 1 350 1 1 23 LYS HD3 H -3.184 1.067 -14.502 1.00 . A A . 23 LYS HD3 1 1 1 351 1 1 23 LYS HE2 H -1.933 -1.218 -13.884 1.00 . A A . 23 LYS HE2 1 1 1 352 1 1 23 LYS HE3 H -3.476 -1.953 -14.333 1.00 . A A . 23 LYS HE3 1 1 1 353 1 1 23 LYS HG2 H -2.296 0.520 -12.360 1.00 . A A . 23 LYS HG2 1 1 1 354 1 1 23 LYS HG3 H -3.593 -0.616 -12.003 1.00 . A A . 23 LYS HG3 1 1 1 355 1 1 23 LYS HZ1 H -1.937 -1.809 -16.177 1.00 . A A . 23 LYS HZ1 1 1 1 356 1 1 23 LYS HZ2 H -3.189 -0.777 -16.495 1.00 . A A . 23 LYS HZ2 1 1 1 357 1 1 23 LYS HZ3 H -1.734 -0.203 -15.965 1.00 . A A . 23 LYS HZ3 1 1 1 358 1 1 23 LYS N N -2.757 3.273 -12.640 1.00 . A A . 23 LYS N 1 1 1 359 1 1 23 LYS NZ N -2.408 -0.966 -15.887 1.00 . A A . 23 LYS NZ 1 1 1 360 1 1 23 LYS O O -6.105 4.076 -12.107 1.00 . A A . 23 LYS O 1 1 1 361 1 1 24 LEU C C -5.021 6.590 -9.978 1.00 . A A . 24 LEU C 1 1 1 362 1 1 24 LEU CA C -5.176 5.099 -9.670 1.00 . A A . 24 LEU CA 1 1 1 363 1 1 24 LEU CB C -4.758 4.737 -8.236 1.00 . A A . 24 LEU CB 1 1 1 364 1 1 24 LEU CD1 C -3.899 2.952 -6.666 1.00 . A A . 24 LEU CD1 1 1 1 365 1 1 24 LEU CD2 C -5.897 2.454 -8.116 1.00 . A A . 24 LEU CD2 1 1 1 366 1 1 24 LEU CG C -4.580 3.220 -8.009 1.00 . A A . 24 LEU CG 1 1 1 367 1 1 24 LEU H H -3.456 4.094 -10.392 1.00 . A A . 24 LEU H 1 1 1 368 1 1 24 LEU HA H -6.235 4.852 -9.758 1.00 . A A . 24 LEU HA 1 1 1 369 1 1 24 LEU HB2 H -3.823 5.246 -8.007 1.00 . A A . 24 LEU HB2 1 1 1 370 1 1 24 LEU HB3 H -5.519 5.112 -7.552 1.00 . A A . 24 LEU HB3 1 1 1 371 1 1 24 LEU HD11 H -4.551 3.183 -5.836 1.00 . A A . 24 LEU HD11 1 1 1 372 1 1 24 LEU HD12 H -3.615 1.902 -6.605 1.00 . A A . 24 LEU HD12 1 1 1 373 1 1 24 LEU HD13 H -3.015 3.579 -6.580 1.00 . A A . 24 LEU HD13 1 1 1 374 1 1 24 LEU HD21 H -6.642 2.878 -7.448 1.00 . A A . 24 LEU HD21 1 1 1 375 1 1 24 LEU HD22 H -6.266 2.500 -9.140 1.00 . A A . 24 LEU HD22 1 1 1 376 1 1 24 LEU HD23 H -5.715 1.415 -7.850 1.00 . A A . 24 LEU HD23 1 1 1 377 1 1 24 LEU HG H -3.923 2.786 -8.756 1.00 . A A . 24 LEU HG 1 1 1 378 1 1 24 LEU N N -4.417 4.321 -10.633 1.00 . A A . 24 LEU N 1 1 1 379 1 1 24 LEU O O -6.024 7.286 -10.108 1.00 . A A . 24 LEU O 1 1 1 380 1 1 25 GLY C C -2.241 8.899 -9.798 1.00 . A A . 25 GLY C 1 1 1 381 1 1 25 GLY CA C -3.501 8.445 -10.519 1.00 . A A . 25 GLY CA 1 1 1 382 1 1 25 GLY H H -2.956 6.477 -10.108 1.00 . A A . 25 GLY H 1 1 1 383 1 1 25 GLY HA2 H -3.331 8.479 -11.595 1.00 . A A . 25 GLY HA2 1 1 1 384 1 1 25 GLY HA3 H -4.323 9.116 -10.267 1.00 . A A . 25 GLY HA3 1 1 1 385 1 1 25 GLY N N -3.782 7.075 -10.133 1.00 . A A . 25 GLY N 1 1 1 386 1 1 25 GLY O O -1.153 8.898 -10.370 1.00 . A A . 25 GLY O 1 1 1 387 1 1 26 CYS C C -1.932 10.204 -6.336 1.00 . A A . 26 CYS C 1 1 1 388 1 1 26 CYS CA C -1.327 9.819 -7.681 1.00 . A A . 26 CYS CA 1 1 1 389 1 1 26 CYS CB C -0.658 11.033 -8.312 1.00 . A A . 26 CYS CB 1 1 1 390 1 1 26 CYS H H -3.348 9.203 -8.153 1.00 . A A . 26 CYS H 1 1 1 391 1 1 26 CYS HA H -0.606 9.023 -7.511 1.00 . A A . 26 CYS HA 1 1 1 392 1 1 26 CYS HB2 H -0.669 11.019 -9.398 1.00 . A A . 26 CYS HB2 1 1 1 393 1 1 26 CYS HB3 H -1.168 11.949 -8.008 1.00 . A A . 26 CYS HB3 1 1 1 394 1 1 26 CYS N N -2.397 9.284 -8.532 1.00 . A A . 26 CYS N 1 1 1 395 1 1 26 CYS O O -1.493 9.756 -5.274 1.00 . A A . 26 CYS O 1 1 1 396 1 1 26 CYS SG S 1.071 11.158 -7.794 1.00 . A A . 26 CYS SG 1 1 1 397 1 1 27 ASP C C -4.240 10.215 -4.468 1.00 . A A . 27 ASP C 1 1 1 398 1 1 27 ASP CA C -4.028 11.329 -5.484 1.00 . A A . 27 ASP CA 1 1 1 399 1 1 27 ASP CB C -5.331 11.597 -6.258 1.00 . A A . 27 ASP CB 1 1 1 400 1 1 27 ASP CG C -5.809 10.418 -7.118 1.00 . A A . 27 ASP CG 1 1 1 401 1 1 27 ASP H H -3.364 10.983 -7.409 1.00 . A A . 27 ASP H 1 1 1 402 1 1 27 ASP HA H -3.728 12.238 -4.962 1.00 . A A . 27 ASP HA 1 1 1 403 1 1 27 ASP HB2 H -6.106 11.842 -5.530 1.00 . A A . 27 ASP HB2 1 1 1 404 1 1 27 ASP HB3 H -5.191 12.461 -6.906 1.00 . A A . 27 ASP HB3 1 1 1 405 1 1 27 ASP N N -3.010 10.978 -6.461 1.00 . A A . 27 ASP N 1 1 1 406 1 1 27 ASP O O -4.294 10.464 -3.266 1.00 . A A . 27 ASP O 1 1 1 407 1 1 27 ASP OD1 O -4.935 9.628 -7.563 1.00 . A A . 27 ASP OD1 1 1 1 408 1 1 27 ASP OD2 O -7.038 10.324 -7.305 1.00 . A A . 27 ASP OD2 1 1 1 409 1 1 28 ALA C C -3.589 7.774 -2.955 1.00 . A A . 28 ALA C 1 1 1 410 1 1 28 ALA CA C -4.383 7.734 -4.262 1.00 . A A . 28 ALA CA 1 1 1 411 1 1 28 ALA CB C -3.830 6.644 -5.181 1.00 . A A . 28 ALA CB 1 1 1 412 1 1 28 ALA H H -4.364 8.961 -6.003 1.00 . A A . 28 ALA H 1 1 1 413 1 1 28 ALA HA H -5.427 7.523 -4.045 1.00 . A A . 28 ALA HA 1 1 1 414 1 1 28 ALA HB1 H -3.731 5.704 -4.641 1.00 . A A . 28 ALA HB1 1 1 1 415 1 1 28 ALA HB2 H -4.506 6.516 -6.025 1.00 . A A . 28 ALA HB2 1 1 1 416 1 1 28 ALA HB3 H -2.850 6.939 -5.554 1.00 . A A . 28 ALA HB3 1 1 1 417 1 1 28 ALA N N -4.336 8.990 -4.985 1.00 . A A . 28 ALA N 1 1 1 418 1 1 28 ALA O O -4.079 7.317 -1.924 1.00 . A A . 28 ALA O 1 1 1 419 1 1 29 CYS C C -0.748 9.626 -1.677 1.00 . A A . 29 CYS C 1 1 1 420 1 1 29 CYS CA C -1.401 8.259 -1.921 1.00 . A A . 29 CYS CA 1 1 1 421 1 1 29 CYS CB C -0.355 7.215 -2.199 1.00 . A A . 29 CYS CB 1 1 1 422 1 1 29 CYS H H -2.050 8.623 -3.931 1.00 . A A . 29 CYS H 1 1 1 423 1 1 29 CYS HA H -1.910 7.980 -0.997 1.00 . A A . 29 CYS HA 1 1 1 424 1 1 29 CYS HB2 H 0.251 7.578 -3.028 1.00 . A A . 29 CYS HB2 1 1 1 425 1 1 29 CYS HB3 H 0.283 7.085 -1.323 1.00 . A A . 29 CYS HB3 1 1 1 426 1 1 29 CYS N N -2.354 8.279 -3.026 1.00 . A A . 29 CYS N 1 1 1 427 1 1 29 CYS O O -0.352 9.909 -0.548 1.00 . A A . 29 CYS O 1 1 1 428 1 1 29 CYS SG S -1.129 5.619 -2.634 1.00 . A A . 29 CYS SG 1 1 1 429 1 1 30 HIS C C -0.884 12.815 -3.221 1.00 . A A . 30 HIS C 1 1 1 430 1 1 30 HIS CA C 0.045 11.768 -2.616 1.00 . A A . 30 HIS CA 1 1 1 431 1 1 30 HIS CB C 1.357 11.780 -3.404 1.00 . A A . 30 HIS CB 1 1 1 432 1 1 30 HIS CD2 C 2.624 9.646 -3.836 1.00 . A A . 30 HIS CD2 1 1 1 433 1 1 30 HIS CE1 C 4.244 9.814 -2.386 1.00 . A A . 30 HIS CE1 1 1 1 434 1 1 30 HIS CG C 2.338 10.705 -3.036 1.00 . A A . 30 HIS CG 1 1 1 435 1 1 30 HIS H H -0.980 10.228 -3.619 1.00 . A A . 30 HIS H 1 1 1 436 1 1 30 HIS HA H 0.263 12.024 -1.578 1.00 . A A . 30 HIS HA 1 1 1 437 1 1 30 HIS HB2 H 1.114 11.664 -4.463 1.00 . A A . 30 HIS HB2 1 1 1 438 1 1 30 HIS HB3 H 1.826 12.759 -3.295 1.00 . A A . 30 HIS HB3 1 1 1 439 1 1 30 HIS HD1 H 3.454 11.564 -1.463 1.00 . A A . 30 HIS HD1 1 1 1 440 1 1 30 HIS HD2 H 2.088 9.345 -4.714 1.00 . A A . 30 HIS HD2 1 1 1 441 1 1 30 HIS HE1 H 5.194 9.635 -1.908 1.00 . A A . 30 HIS HE1 1 1 1 442 1 1 30 HIS N N -0.596 10.465 -2.710 1.00 . A A . 30 HIS N 1 1 1 443 1 1 30 HIS ND1 N 3.360 10.807 -2.121 1.00 . A A . 30 HIS ND1 1 1 1 444 1 1 30 HIS NE2 N 3.836 9.100 -3.442 1.00 . A A . 30 HIS NE2 1 1 1 445 1 1 30 HIS O O -1.175 12.756 -4.412 1.00 . A A . 30 HIS O 1 1 1 446 1 1 31 GLU C C -1.337 15.874 -3.683 1.00 . A A . 31 GLU C 1 1 1 447 1 1 31 GLU CA C -2.166 14.867 -2.901 1.00 . A A . 31 GLU CA 1 1 1 448 1 1 31 GLU CB C -2.854 15.568 -1.719 1.00 . A A . 31 GLU CB 1 1 1 449 1 1 31 GLU CD C -4.542 15.231 0.093 1.00 . A A . 31 GLU CD 1 1 1 450 1 1 31 GLU CG C -3.555 14.544 -0.841 1.00 . A A . 31 GLU CG 1 1 1 451 1 1 31 GLU H H -1.007 13.777 -1.456 1.00 . A A . 31 GLU H 1 1 1 452 1 1 31 GLU HA H -2.934 14.455 -3.558 1.00 . A A . 31 GLU HA 1 1 1 453 1 1 31 GLU HB2 H -2.175 16.132 -1.080 1.00 . A A . 31 GLU HB2 1 1 1 454 1 1 31 GLU HB3 H -3.600 16.257 -2.120 1.00 . A A . 31 GLU HB3 1 1 1 455 1 1 31 GLU HG2 H -4.062 13.874 -1.524 1.00 . A A . 31 GLU HG2 1 1 1 456 1 1 31 GLU HG3 H -2.841 13.974 -0.248 1.00 . A A . 31 GLU HG3 1 1 1 457 1 1 31 GLU N N -1.303 13.793 -2.421 1.00 . A A . 31 GLU N 1 1 1 458 1 1 31 GLU O O -1.520 16.096 -4.878 1.00 . A A . 31 GLU O 1 1 1 459 1 1 31 GLU OE1 O -5.643 15.567 -0.393 1.00 . A A . 31 GLU OE1 1 1 1 460 1 1 31 GLU OE2 O -4.153 15.451 1.260 1.00 . A A . 31 GLU OE2 1 1 1 461 1 1 32 GLY C C 1.811 16.926 -3.762 1.00 . A A . 32 GLY C 1 1 1 462 1 1 32 GLY CA C 0.458 17.535 -3.417 1.00 . A A . 32 GLY CA 1 1 1 463 1 1 32 GLY H H -0.398 16.210 -1.975 1.00 . A A . 32 GLY H 1 1 1 464 1 1 32 GLY HA2 H 0.053 18.029 -4.301 1.00 . A A . 32 GLY HA2 1 1 1 465 1 1 32 GLY HA3 H 0.575 18.278 -2.627 1.00 . A A . 32 GLY HA3 1 1 1 466 1 1 32 GLY N N -0.440 16.508 -2.936 1.00 . A A . 32 GLY N 1 1 1 467 1 1 32 GLY O O 1.903 15.789 -4.221 1.00 . A A . 32 GLY O 1 1 1 468 1 1 33 THR C C 4.636 16.050 -3.095 1.00 . A A . 33 THR C 1 1 1 469 1 1 33 THR CA C 4.222 17.297 -3.894 1.00 . A A . 33 THR CA 1 1 1 470 1 1 33 THR CB C 5.193 18.481 -3.731 1.00 . A A . 33 THR CB 1 1 1 471 1 1 33 THR CG2 C 5.426 18.913 -2.278 1.00 . A A . 33 THR CG2 1 1 1 472 1 1 33 THR H H 2.721 18.573 -3.057 1.00 . A A . 33 THR H 1 1 1 473 1 1 33 THR HA H 4.189 17.079 -4.960 1.00 . A A . 33 THR HA 1 1 1 474 1 1 33 THR HB H 4.780 19.332 -4.274 1.00 . A A . 33 THR HB 1 1 1 475 1 1 33 THR HG1 H 7.062 18.857 -4.148 1.00 . A A . 33 THR HG1 1 1 1 476 1 1 33 THR HG21 H 5.997 18.155 -1.741 1.00 . A A . 33 THR HG21 1 1 1 477 1 1 33 THR HG22 H 5.991 19.846 -2.259 1.00 . A A . 33 THR HG22 1 1 1 478 1 1 33 THR HG23 H 4.476 19.070 -1.768 1.00 . A A . 33 THR HG23 1 1 1 479 1 1 33 THR N N 2.872 17.696 -3.527 1.00 . A A . 33 THR N 1 1 1 480 1 1 33 THR O O 4.569 16.072 -1.864 1.00 . A A . 33 THR O 1 1 1 481 1 1 33 THR OG1 O 6.430 18.157 -4.327 1.00 . A A . 33 THR OG1 1 1 1 482 1 1 34 PRO C C 7.012 14.021 -2.671 1.00 . A A . 34 PRO C 1 1 1 483 1 1 34 PRO CA C 5.553 13.783 -3.069 1.00 . A A . 34 PRO CA 1 1 1 484 1 1 34 PRO CB C 5.408 12.636 -4.055 1.00 . A A . 34 PRO CB 1 1 1 485 1 1 34 PRO CD C 4.986 14.725 -5.187 1.00 . A A . 34 PRO CD 1 1 1 486 1 1 34 PRO CG C 5.555 13.323 -5.407 1.00 . A A . 34 PRO CG 1 1 1 487 1 1 34 PRO HA H 4.969 13.533 -2.188 1.00 . A A . 34 PRO HA 1 1 1 488 1 1 34 PRO HB2 H 6.129 11.842 -3.857 1.00 . A A . 34 PRO HB2 1 1 1 489 1 1 34 PRO HB3 H 4.397 12.240 -4.003 1.00 . A A . 34 PRO HB3 1 1 1 490 1 1 34 PRO HD2 H 5.592 15.458 -5.722 1.00 . A A . 34 PRO HD2 1 1 1 491 1 1 34 PRO HD3 H 3.953 14.757 -5.538 1.00 . A A . 34 PRO HD3 1 1 1 492 1 1 34 PRO HG2 H 6.609 13.397 -5.664 1.00 . A A . 34 PRO HG2 1 1 1 493 1 1 34 PRO HG3 H 4.991 12.786 -6.167 1.00 . A A . 34 PRO HG3 1 1 1 494 1 1 34 PRO N N 5.023 14.946 -3.752 1.00 . A A . 34 PRO N 1 1 1 495 1 1 34 PRO O O 7.597 15.055 -2.984 1.00 . A A . 34 PRO O 1 1 1 496 1 1 35 ALA C C 9.393 11.787 -0.844 1.00 . A A . 35 ALA C 1 1 1 497 1 1 35 ALA CA C 8.944 13.133 -1.416 1.00 . A A . 35 ALA CA 1 1 1 498 1 1 35 ALA CB C 8.985 14.195 -0.310 1.00 . A A . 35 ALA CB 1 1 1 499 1 1 35 ALA H H 7.078 12.191 -1.852 1.00 . A A . 35 ALA H 1 1 1 500 1 1 35 ALA HA H 9.641 13.420 -2.205 1.00 . A A . 35 ALA HA 1 1 1 501 1 1 35 ALA HB1 H 8.259 13.954 0.467 1.00 . A A . 35 ALA HB1 1 1 1 502 1 1 35 ALA HB2 H 9.982 14.222 0.130 1.00 . A A . 35 ALA HB2 1 1 1 503 1 1 35 ALA HB3 H 8.760 15.182 -0.714 1.00 . A A . 35 ALA HB3 1 1 1 504 1 1 35 ALA N N 7.598 13.044 -1.977 1.00 . A A . 35 ALA N 1 1 1 505 1 1 35 ALA O O 10.579 11.478 -0.864 1.00 . A A . 35 ALA O 1 1 1 506 1 1 36 LYS C C 7.215 9.628 1.175 1.00 . A A . 36 LYS C 1 1 1 507 1 1 36 LYS CA C 8.535 9.768 0.424 1.00 . A A . 36 LYS CA 1 1 1 508 1 1 36 LYS CB C 9.738 9.714 1.386 1.00 . A A . 36 LYS CB 1 1 1 509 1 1 36 LYS CD C 9.139 10.583 3.769 1.00 . A A . 36 LYS CD 1 1 1 510 1 1 36 LYS CE C 9.882 9.518 4.596 1.00 . A A . 36 LYS CE 1 1 1 511 1 1 36 LYS CG C 9.803 10.866 2.408 1.00 . A A . 36 LYS CG 1 1 1 512 1 1 36 LYS H H 7.490 11.386 -0.305 1.00 . A A . 36 LYS H 1 1 1 513 1 1 36 LYS HA H 8.620 8.955 -0.287 1.00 . A A . 36 LYS HA 1 1 1 514 1 1 36 LYS HB2 H 9.732 8.751 1.893 1.00 . A A . 36 LYS HB2 1 1 1 515 1 1 36 LYS HB3 H 10.653 9.728 0.794 1.00 . A A . 36 LYS HB3 1 1 1 516 1 1 36 LYS HD2 H 9.139 11.521 4.328 1.00 . A A . 36 LYS HD2 1 1 1 517 1 1 36 LYS HD3 H 8.100 10.294 3.618 1.00 . A A . 36 LYS HD3 1 1 1 518 1 1 36 LYS HE2 H 9.949 8.582 4.041 1.00 . A A . 36 LYS HE2 1 1 1 519 1 1 36 LYS HE3 H 10.896 9.867 4.800 1.00 . A A . 36 LYS HE3 1 1 1 520 1 1 36 LYS HG2 H 10.853 11.104 2.571 1.00 . A A . 36 LYS HG2 1 1 1 521 1 1 36 LYS HG3 H 9.346 11.760 1.983 1.00 . A A . 36 LYS HG3 1 1 1 522 1 1 36 LYS HZ1 H 9.141 10.061 6.449 1.00 . A A . 36 LYS HZ1 1 1 1 523 1 1 36 LYS HZ2 H 8.253 8.894 5.700 1.00 . A A . 36 LYS HZ2 1 1 1 524 1 1 36 LYS HZ3 H 9.696 8.514 6.381 1.00 . A A . 36 LYS HZ3 1 1 1 525 1 1 36 LYS N N 8.434 11.026 -0.305 1.00 . A A . 36 LYS N 1 1 1 526 1 1 36 LYS NZ N 9.197 9.233 5.876 1.00 . A A . 36 LYS NZ 1 1 1 527 1 1 36 LYS O O 6.428 10.576 1.171 1.00 . A A . 36 LYS O 1 1 1 528 1 1 37 ILE C C 6.576 7.725 4.111 1.00 . A A . 37 ILE C 1 1 1 529 1 1 37 ILE CA C 5.972 8.423 2.901 1.00 . A A . 37 ILE CA 1 1 1 530 1 1 37 ILE CB C 4.665 7.751 2.427 1.00 . A A . 37 ILE CB 1 1 1 531 1 1 37 ILE CD1 C 2.896 7.741 0.550 1.00 . A A . 37 ILE CD1 1 1 1 532 1 1 37 ILE CG1 C 4.254 8.257 1.037 1.00 . A A . 37 ILE CG1 1 1 1 533 1 1 37 ILE CG2 C 3.563 8.040 3.455 1.00 . A A . 37 ILE CG2 1 1 1 534 1 1 37 ILE H H 7.646 7.734 1.766 1.00 . A A . 37 ILE H 1 1 1 535 1 1 37 ILE HA H 5.724 9.425 3.230 1.00 . A A . 37 ILE HA 1 1 1 536 1 1 37 ILE HB H 4.810 6.674 2.359 1.00 . A A . 37 ILE HB 1 1 1 537 1 1 37 ILE HD11 H 2.781 7.976 -0.509 1.00 . A A . 37 ILE HD11 1 1 1 538 1 1 37 ILE HD12 H 2.826 6.664 0.686 1.00 . A A . 37 ILE HD12 1 1 1 539 1 1 37 ILE HD13 H 2.086 8.227 1.095 1.00 . A A . 37 ILE HD13 1 1 1 540 1 1 37 ILE HG12 H 4.218 9.344 1.037 1.00 . A A . 37 ILE HG12 1 1 1 541 1 1 37 ILE HG13 H 5.022 7.918 0.346 1.00 . A A . 37 ILE HG13 1 1 1 542 1 1 37 ILE HG21 H 3.872 7.710 4.446 1.00 . A A . 37 ILE HG21 1 1 1 543 1 1 37 ILE HG22 H 3.350 9.109 3.487 1.00 . A A . 37 ILE HG22 1 1 1 544 1 1 37 ILE HG23 H 2.652 7.509 3.189 1.00 . A A . 37 ILE HG23 1 1 1 545 1 1 37 ILE N N 6.991 8.501 1.857 1.00 . A A . 37 ILE N 1 1 1 546 1 1 37 ILE O O 6.748 8.335 5.167 1.00 . A A . 37 ILE O 1 1 1 547 1 1 38 ALA C C 6.005 4.996 5.571 1.00 . A A . 38 ALA C 1 1 1 548 1 1 38 ALA CA C 7.289 5.472 4.907 1.00 . A A . 38 ALA CA 1 1 1 549 1 1 38 ALA CB C 8.343 5.961 5.892 1.00 . A A . 38 ALA CB 1 1 1 550 1 1 38 ALA H H 6.897 6.151 2.952 1.00 . A A . 38 ALA H 1 1 1 551 1 1 38 ALA HA H 7.736 4.617 4.403 1.00 . A A . 38 ALA HA 1 1 1 552 1 1 38 ALA HB1 H 9.162 6.372 5.305 1.00 . A A . 38 ALA HB1 1 1 1 553 1 1 38 ALA HB2 H 7.930 6.705 6.568 1.00 . A A . 38 ALA HB2 1 1 1 554 1 1 38 ALA HB3 H 8.692 5.111 6.478 1.00 . A A . 38 ALA HB3 1 1 1 555 1 1 38 ALA N N 6.966 6.472 3.901 1.00 . A A . 38 ALA N 1 1 1 556 1 1 38 ALA O O 5.606 5.488 6.623 1.00 . A A . 38 ALA O 1 1 1 557 1 1 39 ILE C C 4.581 2.217 6.263 1.00 . A A . 39 ILE C 1 1 1 558 1 1 39 ILE CA C 4.149 3.402 5.399 1.00 . A A . 39 ILE CA 1 1 1 559 1 1 39 ILE CB C 3.261 3.031 4.203 1.00 . A A . 39 ILE CB 1 1 1 560 1 1 39 ILE CD1 C 1.837 5.161 4.517 1.00 . A A . 39 ILE CD1 1 1 1 561 1 1 39 ILE CG1 C 2.659 4.290 3.561 1.00 . A A . 39 ILE CG1 1 1 1 562 1 1 39 ILE CG2 C 2.168 2.025 4.564 1.00 . A A . 39 ILE CG2 1 1 1 563 1 1 39 ILE H H 5.721 3.715 4.028 1.00 . A A . 39 ILE H 1 1 1 564 1 1 39 ILE HA H 3.592 4.084 6.039 1.00 . A A . 39 ILE HA 1 1 1 565 1 1 39 ILE HB H 3.876 2.556 3.443 1.00 . A A . 39 ILE HB 1 1 1 566 1 1 39 ILE HD11 H 2.491 5.768 5.141 1.00 . A A . 39 ILE HD11 1 1 1 567 1 1 39 ILE HD12 H 1.196 5.825 3.937 1.00 . A A . 39 ILE HD12 1 1 1 568 1 1 39 ILE HD13 H 1.214 4.539 5.154 1.00 . A A . 39 ILE HD13 1 1 1 569 1 1 39 ILE HG12 H 3.458 4.896 3.139 1.00 . A A . 39 ILE HG12 1 1 1 570 1 1 39 ILE HG13 H 2.014 3.967 2.750 1.00 . A A . 39 ILE HG13 1 1 1 571 1 1 39 ILE HG21 H 1.437 1.950 3.761 1.00 . A A . 39 ILE HG21 1 1 1 572 1 1 39 ILE HG22 H 2.634 1.049 4.688 1.00 . A A . 39 ILE HG22 1 1 1 573 1 1 39 ILE HG23 H 1.671 2.318 5.487 1.00 . A A . 39 ILE HG23 1 1 1 574 1 1 39 ILE N N 5.336 4.061 4.900 1.00 . A A . 39 ILE N 1 1 1 575 1 1 39 ILE O O 5.081 1.216 5.758 1.00 . A A . 39 ILE O 1 1 1 576 1 1 40 ASP C C 3.346 0.564 8.786 1.00 . A A . 40 ASP C 1 1 1 577 1 1 40 ASP CA C 4.632 1.348 8.583 1.00 . A A . 40 ASP CA 1 1 1 578 1 1 40 ASP CB C 4.925 1.957 9.965 1.00 . A A . 40 ASP CB 1 1 1 579 1 1 40 ASP CG C 6.146 2.849 10.127 1.00 . A A . 40 ASP CG 1 1 1 580 1 1 40 ASP H H 3.828 3.169 7.832 1.00 . A A . 40 ASP H 1 1 1 581 1 1 40 ASP HA H 5.450 0.693 8.277 1.00 . A A . 40 ASP HA 1 1 1 582 1 1 40 ASP HB2 H 4.040 2.511 10.258 1.00 . A A . 40 ASP HB2 1 1 1 583 1 1 40 ASP HB3 H 5.070 1.135 10.666 1.00 . A A . 40 ASP HB3 1 1 1 584 1 1 40 ASP N N 4.362 2.361 7.569 1.00 . A A . 40 ASP N 1 1 1 585 1 1 40 ASP O O 2.266 1.046 8.441 1.00 . A A . 40 ASP O 1 1 1 586 1 1 40 ASP OD1 O 6.877 3.070 9.143 1.00 . A A . 40 ASP OD1 1 1 1 587 1 1 40 ASP OD2 O 6.312 3.294 11.288 1.00 . A A . 40 ASP OD2 1 1 1 588 1 1 41 LYS C C 1.112 -0.710 10.272 1.00 . A A . 41 LYS C 1 1 1 589 1 1 41 LYS CA C 2.350 -1.465 9.799 1.00 . A A . 41 LYS CA 1 1 1 590 1 1 41 LYS CB C 2.840 -2.486 10.823 1.00 . A A . 41 LYS CB 1 1 1 591 1 1 41 LYS CD C 3.994 -3.049 12.909 1.00 . A A . 41 LYS CD 1 1 1 592 1 1 41 LYS CE C 4.108 -2.940 14.435 1.00 . A A . 41 LYS CE 1 1 1 593 1 1 41 LYS CG C 3.186 -1.947 12.219 1.00 . A A . 41 LYS CG 1 1 1 594 1 1 41 LYS H H 4.398 -0.976 9.515 1.00 . A A . 41 LYS H 1 1 1 595 1 1 41 LYS HA H 2.073 -2.020 8.903 1.00 . A A . 41 LYS HA 1 1 1 596 1 1 41 LYS HB2 H 2.090 -3.267 10.906 1.00 . A A . 41 LYS HB2 1 1 1 597 1 1 41 LYS HB3 H 3.742 -2.928 10.412 1.00 . A A . 41 LYS HB3 1 1 1 598 1 1 41 LYS HD2 H 3.515 -3.997 12.655 1.00 . A A . 41 LYS HD2 1 1 1 599 1 1 41 LYS HD3 H 5.003 -3.060 12.486 1.00 . A A . 41 LYS HD3 1 1 1 600 1 1 41 LYS HE2 H 5.133 -2.654 14.685 1.00 . A A . 41 LYS HE2 1 1 1 601 1 1 41 LYS HE3 H 3.424 -2.187 14.830 1.00 . A A . 41 LYS HE3 1 1 1 602 1 1 41 LYS HG2 H 3.795 -1.045 12.148 1.00 . A A . 41 LYS HG2 1 1 1 603 1 1 41 LYS HG3 H 2.264 -1.745 12.766 1.00 . A A . 41 LYS HG3 1 1 1 604 1 1 41 LYS HZ1 H 4.411 -4.951 14.583 1.00 . A A . 41 LYS HZ1 1 1 1 605 1 1 41 LYS HZ2 H 4.036 -4.261 16.038 1.00 . A A . 41 LYS HZ2 1 1 1 606 1 1 41 LYS HZ3 H 2.866 -4.517 14.897 1.00 . A A . 41 LYS HZ3 1 1 1 607 1 1 41 LYS N N 3.455 -0.583 9.458 1.00 . A A . 41 LYS N 1 1 1 608 1 1 41 LYS NZ N 3.827 -4.253 15.052 1.00 . A A . 41 LYS NZ 1 1 1 609 1 1 41 LYS O O 0.003 -0.993 9.828 1.00 . A A . 41 LYS O 1 1 1 610 1 1 42 LYS C C -0.471 1.770 10.468 1.00 . A A . 42 LYS C 1 1 1 611 1 1 42 LYS CA C 0.348 1.214 11.643 1.00 . A A . 42 LYS CA 1 1 1 612 1 1 42 LYS CB C 1.064 2.331 12.423 1.00 . A A . 42 LYS CB 1 1 1 613 1 1 42 LYS CD C 2.795 2.767 14.235 1.00 . A A . 42 LYS CD 1 1 1 614 1 1 42 LYS CE C 4.104 2.421 13.503 1.00 . A A . 42 LYS CE 1 1 1 615 1 1 42 LYS CG C 1.657 1.846 13.758 1.00 . A A . 42 LYS CG 1 1 1 616 1 1 42 LYS H H 2.306 0.387 11.404 1.00 . A A . 42 LYS H 1 1 1 617 1 1 42 LYS HA H -0.339 0.697 12.315 1.00 . A A . 42 LYS HA 1 1 1 618 1 1 42 LYS HB2 H 1.851 2.745 11.793 1.00 . A A . 42 LYS HB2 1 1 1 619 1 1 42 LYS HB3 H 0.353 3.132 12.638 1.00 . A A . 42 LYS HB3 1 1 1 620 1 1 42 LYS HD2 H 2.499 3.803 14.052 1.00 . A A . 42 LYS HD2 1 1 1 621 1 1 42 LYS HD3 H 2.937 2.633 15.310 1.00 . A A . 42 LYS HD3 1 1 1 622 1 1 42 LYS HE2 H 4.523 1.496 13.903 1.00 . A A . 42 LYS HE2 1 1 1 623 1 1 42 LYS HE3 H 3.891 2.259 12.451 1.00 . A A . 42 LYS HE3 1 1 1 624 1 1 42 LYS HG2 H 0.855 1.849 14.499 1.00 . A A . 42 LYS HG2 1 1 1 625 1 1 42 LYS HG3 H 2.030 0.825 13.674 1.00 . A A . 42 LYS HG3 1 1 1 626 1 1 42 LYS HZ1 H 5.560 3.554 14.474 1.00 . A A . 42 LYS HZ1 1 1 1 627 1 1 42 LYS HZ2 H 5.836 3.290 12.860 1.00 . A A . 42 LYS HZ2 1 1 1 628 1 1 42 LYS HZ3 H 4.733 4.379 13.295 1.00 . A A . 42 LYS HZ3 1 1 1 629 1 1 42 LYS N N 1.338 0.261 11.160 1.00 . A A . 42 LYS N 1 1 1 630 1 1 42 LYS NZ N 5.122 3.490 13.567 1.00 . A A . 42 LYS NZ 1 1 1 631 1 1 42 LYS O O -1.564 1.285 10.189 1.00 . A A . 42 LYS O 1 1 1 632 1 1 43 SER C C -1.112 2.414 7.641 1.00 . A A . 43 SER C 1 1 1 633 1 1 43 SER CA C -0.612 3.437 8.659 1.00 . A A . 43 SER CA 1 1 1 634 1 1 43 SER CB C 0.388 4.399 8.020 1.00 . A A . 43 SER CB 1 1 1 635 1 1 43 SER H H 0.958 3.160 10.017 1.00 . A A . 43 SER H 1 1 1 636 1 1 43 SER HA H -1.457 4.015 9.037 1.00 . A A . 43 SER HA 1 1 1 637 1 1 43 SER HB2 H 1.155 3.840 7.483 1.00 . A A . 43 SER HB2 1 1 1 638 1 1 43 SER HB3 H -0.140 5.047 7.319 1.00 . A A . 43 SER HB3 1 1 1 639 1 1 43 SER HG H 0.390 5.789 9.384 1.00 . A A . 43 SER HG 1 1 1 640 1 1 43 SER N N 0.051 2.787 9.777 1.00 . A A . 43 SER N 1 1 1 641 1 1 43 SER O O -2.275 2.440 7.244 1.00 . A A . 43 SER O 1 1 1 642 1 1 43 SER OG O 1.021 5.150 9.040 1.00 . A A . 43 SER OG 1 1 1 643 1 1 44 ALA C C -1.805 -0.255 6.531 1.00 . A A . 44 ALA C 1 1 1 644 1 1 44 ALA CA C -0.470 0.439 6.286 1.00 . A A . 44 ALA CA 1 1 1 645 1 1 44 ALA CB C 0.671 -0.567 6.384 1.00 . A A . 44 ALA CB 1 1 1 646 1 1 44 ALA H H 0.687 1.509 7.691 1.00 . A A . 44 ALA H 1 1 1 647 1 1 44 ALA HA H -0.464 0.845 5.277 1.00 . A A . 44 ALA HA 1 1 1 648 1 1 44 ALA HB1 H 1.632 -0.065 6.257 1.00 . A A . 44 ALA HB1 1 1 1 649 1 1 44 ALA HB2 H 0.674 -1.059 7.352 1.00 . A A . 44 ALA HB2 1 1 1 650 1 1 44 ALA HB3 H 0.512 -1.311 5.611 1.00 . A A . 44 ALA HB3 1 1 1 651 1 1 44 ALA N N -0.226 1.498 7.249 1.00 . A A . 44 ALA N 1 1 1 652 1 1 44 ALA O O -2.671 -0.295 5.654 1.00 . A A . 44 ALA O 1 1 1 653 1 1 45 HIS C C -4.307 -0.627 8.468 1.00 . A A . 45 HIS C 1 1 1 654 1 1 45 HIS CA C -3.133 -1.550 8.131 1.00 . A A . 45 HIS CA 1 1 1 655 1 1 45 HIS CB C -2.817 -2.422 9.350 1.00 . A A . 45 HIS CB 1 1 1 656 1 1 45 HIS CD2 C -1.265 -4.047 8.013 1.00 . A A . 45 HIS CD2 1 1 1 657 1 1 45 HIS CE1 C -1.165 -5.656 9.498 1.00 . A A . 45 HIS CE1 1 1 1 658 1 1 45 HIS CG C -2.023 -3.683 9.106 1.00 . A A . 45 HIS CG 1 1 1 659 1 1 45 HIS H H -1.215 -0.678 8.429 1.00 . A A . 45 HIS H 1 1 1 660 1 1 45 HIS HA H -3.430 -2.203 7.311 1.00 . A A . 45 HIS HA 1 1 1 661 1 1 45 HIS HB2 H -2.314 -1.819 10.106 1.00 . A A . 45 HIS HB2 1 1 1 662 1 1 45 HIS HB3 H -3.759 -2.745 9.793 1.00 . A A . 45 HIS HB3 1 1 1 663 1 1 45 HIS HD1 H -2.357 -4.718 10.944 1.00 . A A . 45 HIS HD1 1 1 1 664 1 1 45 HIS HD2 H -1.088 -3.473 7.117 1.00 . A A . 45 HIS HD2 1 1 1 665 1 1 45 HIS HE1 H -0.902 -6.571 9.999 1.00 . A A . 45 HIS HE1 1 1 1 666 1 1 45 HIS N N -1.954 -0.805 7.738 1.00 . A A . 45 HIS N 1 1 1 667 1 1 45 HIS ND1 N -1.941 -4.702 10.024 1.00 . A A . 45 HIS ND1 1 1 1 668 1 1 45 HIS NE2 N -0.733 -5.317 8.276 1.00 . A A . 45 HIS NE2 1 1 1 669 1 1 45 HIS O O -5.429 -1.131 8.559 1.00 . A A . 45 HIS O 1 1 1 670 1 1 46 LYS C C -5.627 2.466 8.145 1.00 . A A . 46 LYS C 1 1 1 671 1 1 46 LYS CA C -5.007 1.612 9.259 1.00 . A A . 46 LYS CA 1 1 1 672 1 1 46 LYS CB C -4.277 2.404 10.359 1.00 . A A . 46 LYS CB 1 1 1 673 1 1 46 LYS CD C -5.346 4.689 10.553 1.00 . A A . 46 LYS CD 1 1 1 674 1 1 46 LYS CE C -5.774 5.804 11.517 1.00 . A A . 46 LYS CE 1 1 1 675 1 1 46 LYS CG C -5.113 3.344 11.235 1.00 . A A . 46 LYS CG 1 1 1 676 1 1 46 LYS H H -3.095 0.990 8.622 1.00 . A A . 46 LYS H 1 1 1 677 1 1 46 LYS HA H -5.815 1.064 9.746 1.00 . A A . 46 LYS HA 1 1 1 678 1 1 46 LYS HB2 H -3.868 1.662 11.046 1.00 . A A . 46 LYS HB2 1 1 1 679 1 1 46 LYS HB3 H -3.444 2.958 9.926 1.00 . A A . 46 LYS HB3 1 1 1 680 1 1 46 LYS HD2 H -4.404 4.988 10.093 1.00 . A A . 46 LYS HD2 1 1 1 681 1 1 46 LYS HD3 H -6.109 4.547 9.792 1.00 . A A . 46 LYS HD3 1 1 1 682 1 1 46 LYS HE2 H -6.680 5.509 12.048 1.00 . A A . 46 LYS HE2 1 1 1 683 1 1 46 LYS HE3 H -4.975 5.966 12.244 1.00 . A A . 46 LYS HE3 1 1 1 684 1 1 46 LYS HG2 H -6.057 2.870 11.496 1.00 . A A . 46 LYS HG2 1 1 1 685 1 1 46 LYS HG3 H -4.532 3.520 12.140 1.00 . A A . 46 LYS HG3 1 1 1 686 1 1 46 LYS HZ1 H -6.153 7.843 11.419 1.00 . A A . 46 LYS HZ1 1 1 1 687 1 1 46 LYS HZ2 H -5.216 7.279 10.182 1.00 . A A . 46 LYS HZ2 1 1 1 688 1 1 46 LYS HZ3 H -6.804 6.983 10.170 1.00 . A A . 46 LYS HZ3 1 1 1 689 1 1 46 LYS N N -4.052 0.663 8.708 1.00 . A A . 46 LYS N 1 1 1 690 1 1 46 LYS NZ N -6.012 7.069 10.789 1.00 . A A . 46 LYS NZ 1 1 1 691 1 1 46 LYS O O -6.816 2.316 7.868 1.00 . A A . 46 LYS O 1 1 1 692 1 1 47 ASP C C -4.521 4.547 5.306 1.00 . A A . 47 ASP C 1 1 1 693 1 1 47 ASP CA C -5.355 4.374 6.580 1.00 . A A . 47 ASP CA 1 1 1 694 1 1 47 ASP CB C -5.561 5.738 7.255 1.00 . A A . 47 ASP CB 1 1 1 695 1 1 47 ASP CG C -4.307 6.293 7.915 1.00 . A A . 47 ASP CG 1 1 1 696 1 1 47 ASP H H -3.874 3.429 7.788 1.00 . A A . 47 ASP H 1 1 1 697 1 1 47 ASP HA H -6.334 4.061 6.235 1.00 . A A . 47 ASP HA 1 1 1 698 1 1 47 ASP HB2 H -5.889 6.464 6.510 1.00 . A A . 47 ASP HB2 1 1 1 699 1 1 47 ASP HB3 H -6.363 5.654 7.980 1.00 . A A . 47 ASP HB3 1 1 1 700 1 1 47 ASP N N -4.856 3.372 7.531 1.00 . A A . 47 ASP N 1 1 1 701 1 1 47 ASP O O -4.859 5.410 4.500 1.00 . A A . 47 ASP O 1 1 1 702 1 1 47 ASP OD1 O -3.225 5.695 7.738 1.00 . A A . 47 ASP OD1 1 1 1 703 1 1 47 ASP OD2 O -4.490 7.242 8.711 1.00 . A A . 47 ASP OD2 1 1 1 704 1 1 48 ALA C C -3.216 2.696 2.861 1.00 . A A . 48 ALA C 1 1 1 705 1 1 48 ALA CA C -2.737 3.788 3.820 1.00 . A A . 48 ALA CA 1 1 1 706 1 1 48 ALA CB C -1.238 3.751 4.108 1.00 . A A . 48 ALA CB 1 1 1 707 1 1 48 ALA H H -3.214 3.081 5.796 1.00 . A A . 48 ALA H 1 1 1 708 1 1 48 ALA HA H -2.906 4.738 3.311 1.00 . A A . 48 ALA HA 1 1 1 709 1 1 48 ALA HB1 H -0.676 3.745 3.174 1.00 . A A . 48 ALA HB1 1 1 1 710 1 1 48 ALA HB2 H -0.987 4.649 4.672 1.00 . A A . 48 ALA HB2 1 1 1 711 1 1 48 ALA HB3 H -0.975 2.881 4.700 1.00 . A A . 48 ALA HB3 1 1 1 712 1 1 48 ALA N N -3.491 3.732 5.070 1.00 . A A . 48 ALA N 1 1 1 713 1 1 48 ALA O O -4.132 2.923 2.075 1.00 . A A . 48 ALA O 1 1 1 714 1 1 49 CYS C C -4.456 0.003 2.318 1.00 . A A . 49 CYS C 1 1 1 715 1 1 49 CYS CA C -3.011 0.410 2.033 1.00 . A A . 49 CYS CA 1 1 1 716 1 1 49 CYS CB C -2.061 -0.758 2.183 1.00 . A A . 49 CYS CB 1 1 1 717 1 1 49 CYS H H -1.868 1.346 3.561 1.00 . A A . 49 CYS H 1 1 1 718 1 1 49 CYS HA H -2.978 0.760 1.008 1.00 . A A . 49 CYS HA 1 1 1 719 1 1 49 CYS HB2 H -2.259 -1.258 3.127 1.00 . A A . 49 CYS HB2 1 1 1 720 1 1 49 CYS HB3 H -2.240 -1.476 1.381 1.00 . A A . 49 CYS HB3 1 1 1 721 1 1 49 CYS N N -2.624 1.502 2.916 1.00 . A A . 49 CYS N 1 1 1 722 1 1 49 CYS O O -5.307 -0.057 1.426 1.00 . A A . 49 CYS O 1 1 1 723 1 1 49 CYS SG S -0.302 -0.273 2.208 1.00 . A A . 49 CYS SG 1 1 1 724 1 1 50 LYS C C -7.210 -0.106 3.563 1.00 . A A . 50 LYS C 1 1 1 725 1 1 50 LYS CA C -5.979 -0.902 4.000 1.00 . A A . 50 LYS CA 1 1 1 726 1 1 50 LYS CB C -5.991 -1.068 5.522 1.00 . A A . 50 LYS CB 1 1 1 727 1 1 50 LYS CD C -6.640 -3.508 5.805 1.00 . A A . 50 LYS CD 1 1 1 728 1 1 50 LYS CE C -6.741 -4.287 7.123 1.00 . A A . 50 LYS CE 1 1 1 729 1 1 50 LYS CG C -7.080 -2.045 5.989 1.00 . A A . 50 LYS CG 1 1 1 730 1 1 50 LYS H H -3.990 -0.194 4.282 1.00 . A A . 50 LYS H 1 1 1 731 1 1 50 LYS HA H -6.006 -1.891 3.526 1.00 . A A . 50 LYS HA 1 1 1 732 1 1 50 LYS HB2 H -5.020 -1.429 5.854 1.00 . A A . 50 LYS HB2 1 1 1 733 1 1 50 LYS HB3 H -6.165 -0.092 5.979 1.00 . A A . 50 LYS HB3 1 1 1 734 1 1 50 LYS HD2 H -7.294 -3.975 5.062 1.00 . A A . 50 LYS HD2 1 1 1 735 1 1 50 LYS HD3 H -5.620 -3.568 5.420 1.00 . A A . 50 LYS HD3 1 1 1 736 1 1 50 LYS HE2 H -7.766 -4.219 7.495 1.00 . A A . 50 LYS HE2 1 1 1 737 1 1 50 LYS HE3 H -6.518 -5.339 6.930 1.00 . A A . 50 LYS HE3 1 1 1 738 1 1 50 LYS HG2 H -7.311 -1.825 7.030 1.00 . A A . 50 LYS HG2 1 1 1 739 1 1 50 LYS HG3 H -8.006 -1.880 5.436 1.00 . A A . 50 LYS HG3 1 1 1 740 1 1 50 LYS HZ1 H -5.905 -2.768 8.271 1.00 . A A . 50 LYS HZ1 1 1 1 741 1 1 50 LYS HZ2 H -5.982 -4.224 9.033 1.00 . A A . 50 LYS HZ2 1 1 1 742 1 1 50 LYS HZ3 H -4.851 -3.961 7.872 1.00 . A A . 50 LYS HZ3 1 1 1 743 1 1 50 LYS N N -4.734 -0.281 3.593 1.00 . A A . 50 LYS N 1 1 1 744 1 1 50 LYS NZ N -5.805 -3.775 8.147 1.00 . A A . 50 LYS NZ 1 1 1 745 1 1 50 LYS O O -8.209 -0.720 3.220 1.00 . A A . 50 LYS O 1 1 1 746 1 1 51 THR C C -8.951 1.834 2.012 1.00 . A A . 51 THR C 1 1 1 747 1 1 51 THR CA C -8.409 2.018 3.429 1.00 . A A . 51 THR CA 1 1 1 748 1 1 51 THR CB C -8.219 3.491 3.817 1.00 . A A . 51 THR CB 1 1 1 749 1 1 51 THR CG2 C -7.228 4.240 2.925 1.00 . A A . 51 THR CG2 1 1 1 750 1 1 51 THR H H -6.329 1.691 3.857 1.00 . A A . 51 THR H 1 1 1 751 1 1 51 THR HA H -9.157 1.622 4.116 1.00 . A A . 51 THR HA 1 1 1 752 1 1 51 THR HB H -7.865 3.517 4.844 1.00 . A A . 51 THR HB 1 1 1 753 1 1 51 THR HG1 H -9.308 5.097 3.961 1.00 . A A . 51 THR HG1 1 1 1 754 1 1 51 THR HG21 H -6.259 3.750 2.962 1.00 . A A . 51 THR HG21 1 1 1 755 1 1 51 THR HG22 H -7.573 4.279 1.893 1.00 . A A . 51 THR HG22 1 1 1 756 1 1 51 THR HG23 H -7.111 5.262 3.286 1.00 . A A . 51 THR HG23 1 1 1 757 1 1 51 THR N N -7.193 1.229 3.633 1.00 . A A . 51 THR N 1 1 1 758 1 1 51 THR O O -10.157 1.695 1.821 1.00 . A A . 51 THR O 1 1 1 759 1 1 51 THR OG1 O -9.462 4.163 3.794 1.00 . A A . 51 THR OG1 1 1 1 760 1 1 52 CYS C C -8.792 -0.171 -0.213 1.00 . A A . 52 CYS C 1 1 1 761 1 1 52 CYS CA C -8.454 1.304 -0.297 1.00 . A A . 52 CYS CA 1 1 1 762 1 1 52 CYS CB C -7.329 1.471 -1.264 1.00 . A A . 52 CYS CB 1 1 1 763 1 1 52 CYS H H -7.075 1.858 1.228 1.00 . A A . 52 CYS H 1 1 1 764 1 1 52 CYS HA H -9.332 1.846 -0.655 1.00 . A A . 52 CYS HA 1 1 1 765 1 1 52 CYS HB2 H -6.378 1.190 -0.811 1.00 . A A . 52 CYS HB2 1 1 1 766 1 1 52 CYS HB3 H -7.523 0.811 -2.110 1.00 . A A . 52 CYS HB3 1 1 1 767 1 1 52 CYS N N -8.061 1.768 1.021 1.00 . A A . 52 CYS N 1 1 1 768 1 1 52 CYS O O -9.883 -0.595 -0.585 1.00 . A A . 52 CYS O 1 1 1 769 1 1 52 CYS SG S -7.250 3.165 -1.871 1.00 . A A . 52 CYS SG 1 1 1 770 1 1 53 HIS C C -8.934 -2.864 1.464 1.00 . A A . 53 HIS C 1 1 1 771 1 1 53 HIS CA C -7.953 -2.402 0.360 1.00 . A A . 53 HIS CA 1 1 1 772 1 1 53 HIS CB C -6.542 -2.968 0.569 1.00 . A A . 53 HIS CB 1 1 1 773 1 1 53 HIS CD2 C -5.198 -2.057 -1.489 1.00 . A A . 53 HIS CD2 1 1 1 774 1 1 53 HIS CE1 C -4.098 -3.888 -1.939 1.00 . A A . 53 HIS CE1 1 1 1 775 1 1 53 HIS CG C -5.635 -3.045 -0.636 1.00 . A A . 53 HIS CG 1 1 1 776 1 1 53 HIS H H -6.982 -0.532 0.626 1.00 . A A . 53 HIS H 1 1 1 777 1 1 53 HIS HA H -8.333 -2.775 -0.592 1.00 . A A . 53 HIS HA 1 1 1 778 1 1 53 HIS HB2 H -6.036 -2.416 1.353 1.00 . A A . 53 HIS HB2 1 1 1 779 1 1 53 HIS HB3 H -6.658 -3.993 0.917 1.00 . A A . 53 HIS HB3 1 1 1 780 1 1 53 HIS HD1 H -4.885 -5.007 -0.354 1.00 . A A . 53 HIS HD1 1 1 1 781 1 1 53 HIS HD2 H -5.462 -1.014 -1.502 1.00 . A A . 53 HIS HD2 1 1 1 782 1 1 53 HIS HE1 H -3.388 -4.584 -2.346 1.00 . A A . 53 HIS HE1 1 1 1 783 1 1 53 HIS N N -7.843 -0.959 0.293 1.00 . A A . 53 HIS N 1 1 1 784 1 1 53 HIS ND1 N -4.916 -4.172 -0.916 1.00 . A A . 53 HIS ND1 1 1 1 785 1 1 53 HIS NE2 N -4.221 -2.609 -2.330 1.00 . A A . 53 HIS NE2 1 1 1 786 1 1 53 HIS O O -8.641 -3.814 2.190 1.00 . A A . 53 HIS O 1 1 1 787 1 1 54 LYS C C -11.931 -3.803 1.827 1.00 . A A . 54 LYS C 1 1 1 788 1 1 54 LYS CA C -11.182 -2.643 2.474 1.00 . A A . 54 LYS CA 1 1 1 789 1 1 54 LYS CB C -12.141 -1.481 2.753 1.00 . A A . 54 LYS CB 1 1 1 790 1 1 54 LYS CD C -12.235 0.795 3.874 1.00 . A A . 54 LYS CD 1 1 1 791 1 1 54 LYS CE C -13.570 0.659 4.614 1.00 . A A . 54 LYS CE 1 1 1 792 1 1 54 LYS CG C -11.484 -0.526 3.748 1.00 . A A . 54 LYS CG 1 1 1 793 1 1 54 LYS H H -10.251 -1.413 1.001 1.00 . A A . 54 LYS H 1 1 1 794 1 1 54 LYS HA H -10.777 -2.942 3.438 1.00 . A A . 54 LYS HA 1 1 1 795 1 1 54 LYS HB2 H -12.378 -0.962 1.822 1.00 . A A . 54 LYS HB2 1 1 1 796 1 1 54 LYS HB3 H -13.062 -1.870 3.188 1.00 . A A . 54 LYS HB3 1 1 1 797 1 1 54 LYS HD2 H -11.573 1.476 4.407 1.00 . A A . 54 LYS HD2 1 1 1 798 1 1 54 LYS HD3 H -12.389 1.173 2.863 1.00 . A A . 54 LYS HD3 1 1 1 799 1 1 54 LYS HE2 H -14.242 0.022 4.036 1.00 . A A . 54 LYS HE2 1 1 1 800 1 1 54 LYS HE3 H -13.397 0.192 5.586 1.00 . A A . 54 LYS HE3 1 1 1 801 1 1 54 LYS HG2 H -11.362 -1.003 4.722 1.00 . A A . 54 LYS HG2 1 1 1 802 1 1 54 LYS HG3 H -10.500 -0.287 3.361 1.00 . A A . 54 LYS HG3 1 1 1 803 1 1 54 LYS HZ1 H -14.381 2.417 3.923 1.00 . A A . 54 LYS HZ1 1 1 1 804 1 1 54 LYS HZ2 H -15.084 1.864 5.304 1.00 . A A . 54 LYS HZ2 1 1 1 805 1 1 54 LYS HZ3 H -13.601 2.573 5.363 1.00 . A A . 54 LYS HZ3 1 1 1 806 1 1 54 LYS N N -10.102 -2.221 1.591 1.00 . A A . 54 LYS N 1 1 1 807 1 1 54 LYS NZ N -14.206 1.977 4.816 1.00 . A A . 54 LYS NZ 1 1 1 808 1 1 54 LYS O O -11.992 -4.898 2.379 1.00 . A A . 54 LYS O 1 1 1 809 1 1 55 SER C C -12.863 -4.783 -1.418 1.00 . A A . 55 SER C 1 1 1 810 1 1 55 SER CA C -13.422 -4.431 -0.040 1.00 . A A . 55 SER CA 1 1 1 811 1 1 55 SER CB C -14.794 -3.753 -0.155 1.00 . A A . 55 SER CB 1 1 1 812 1 1 55 SER H H -12.375 -2.613 0.261 1.00 . A A . 55 SER H 1 1 1 813 1 1 55 SER HA H -13.550 -5.359 0.518 1.00 . A A . 55 SER HA 1 1 1 814 1 1 55 SER HB2 H -14.733 -2.923 -0.863 1.00 . A A . 55 SER HB2 1 1 1 815 1 1 55 SER HB3 H -15.517 -4.478 -0.533 1.00 . A A . 55 SER HB3 1 1 1 816 1 1 55 SER HG H -16.103 -2.921 1.033 1.00 . A A . 55 SER HG 1 1 1 817 1 1 55 SER N N -12.510 -3.532 0.655 1.00 . A A . 55 SER N 1 1 1 818 1 1 55 SER O O -13.615 -4.863 -2.386 1.00 . A A . 55 SER O 1 1 1 819 1 1 55 SER OG O -15.209 -3.264 1.110 1.00 . A A . 55 SER OG 1 1 1 820 1 1 56 ASN C C -10.514 -6.844 -2.609 1.00 . A A . 56 ASN C 1 1 1 821 1 1 56 ASN CA C -10.854 -5.365 -2.720 1.00 . A A . 56 ASN CA 1 1 1 822 1 1 56 ASN CB C -9.566 -4.554 -2.914 1.00 . A A . 56 ASN CB 1 1 1 823 1 1 56 ASN CG C -9.809 -3.089 -3.266 1.00 . A A . 56 ASN CG 1 1 1 824 1 1 56 ASN H H -11.011 -4.981 -0.640 1.00 . A A . 56 ASN H 1 1 1 825 1 1 56 ASN HA H -11.493 -5.208 -3.591 1.00 . A A . 56 ASN HA 1 1 1 826 1 1 56 ASN HB2 H -8.956 -4.617 -2.013 1.00 . A A . 56 ASN HB2 1 1 1 827 1 1 56 ASN HB3 H -9.006 -4.999 -3.738 1.00 . A A . 56 ASN HB3 1 1 1 828 1 1 56 ASN HD21 H -7.834 -2.812 -3.687 1.00 . A A . 56 ASN HD21 1 1 1 829 1 1 56 ASN HD22 H -8.878 -1.407 -3.859 1.00 . A A . 56 ASN HD22 1 1 1 830 1 1 56 ASN N N -11.544 -4.977 -1.497 1.00 . A A . 56 ASN N 1 1 1 831 1 1 56 ASN ND2 N -8.747 -2.381 -3.637 1.00 . A A . 56 ASN ND2 1 1 1 832 1 1 56 ASN O O -10.139 -7.305 -1.531 1.00 . A A . 56 ASN O 1 1 1 833 1 1 56 ASN OD1 O -10.929 -2.593 -3.217 1.00 . A A . 56 ASN OD1 1 1 1 834 1 1 57 ASN C C -11.323 -9.783 -2.881 1.00 . A A . 57 ASN C 1 1 1 835 1 1 57 ASN CA C -10.380 -9.005 -3.813 1.00 . A A . 57 ASN CA 1 1 1 836 1 1 57 ASN CB C -8.897 -9.332 -3.532 1.00 . A A . 57 ASN CB 1 1 1 837 1 1 57 ASN CG C -7.920 -8.671 -4.506 1.00 . A A . 57 ASN CG 1 1 1 838 1 1 57 ASN H H -10.883 -7.079 -4.571 1.00 . A A . 57 ASN H 1 1 1 839 1 1 57 ASN HA H -10.603 -9.314 -4.835 1.00 . A A . 57 ASN HA 1 1 1 840 1 1 57 ASN HB2 H -8.627 -9.033 -2.519 1.00 . A A . 57 ASN HB2 1 1 1 841 1 1 57 ASN HB3 H -8.753 -10.409 -3.600 1.00 . A A . 57 ASN HB3 1 1 1 842 1 1 57 ASN HD21 H -7.004 -10.454 -4.911 1.00 . A A . 57 ASN HD21 1 1 1 843 1 1 57 ASN HD22 H -6.304 -9.074 -5.711 1.00 . A A . 57 ASN HD22 1 1 1 844 1 1 57 ASN N N -10.633 -7.568 -3.725 1.00 . A A . 57 ASN N 1 1 1 845 1 1 57 ASN ND2 N -7.038 -9.468 -5.099 1.00 . A A . 57 ASN ND2 1 1 1 846 1 1 57 ASN O O -12.211 -9.215 -2.248 1.00 . A A . 57 ASN O 1 1 1 847 1 1 57 ASN OD1 O -7.955 -7.460 -4.708 1.00 . A A . 57 ASN OD1 1 1 1 848 1 1 58 GLY C C -10.949 -11.786 -0.487 1.00 . A A . 58 GLY C 1 1 1 849 1 1 58 GLY CA C -11.781 -11.905 -1.767 1.00 . A A . 58 GLY CA 1 1 1 850 1 1 58 GLY H H -10.406 -11.540 -3.328 1.00 . A A . 58 GLY H 1 1 1 851 1 1 58 GLY HA2 H -12.816 -11.593 -1.637 1.00 . A A . 58 GLY HA2 1 1 1 852 1 1 58 GLY HA3 H -11.777 -12.948 -2.084 1.00 . A A . 58 GLY HA3 1 1 1 853 1 1 58 GLY N N -11.142 -11.103 -2.796 1.00 . A A . 58 GLY N 1 1 1 854 1 1 58 GLY O O -9.755 -12.080 -0.537 1.00 . A A . 58 GLY O 1 1 1 855 1 1 59 PRO C C -10.332 -12.662 2.334 1.00 . A A . 59 PRO C 1 1 1 856 1 1 59 PRO CA C -10.762 -11.259 1.890 1.00 . A A . 59 PRO CA 1 1 1 857 1 1 59 PRO CB C -11.692 -10.569 2.891 1.00 . A A . 59 PRO CB 1 1 1 858 1 1 59 PRO CD C -12.903 -10.970 0.855 1.00 . A A . 59 PRO CD 1 1 1 859 1 1 59 PRO CG C -13.089 -10.911 2.373 1.00 . A A . 59 PRO CG 1 1 1 860 1 1 59 PRO HA H -9.876 -10.640 1.735 1.00 . A A . 59 PRO HA 1 1 1 861 1 1 59 PRO HB2 H -11.535 -10.904 3.917 1.00 . A A . 59 PRO HB2 1 1 1 862 1 1 59 PRO HB3 H -11.547 -9.489 2.824 1.00 . A A . 59 PRO HB3 1 1 1 863 1 1 59 PRO HD2 H -13.601 -11.695 0.436 1.00 . A A . 59 PRO HD2 1 1 1 864 1 1 59 PRO HD3 H -13.072 -9.984 0.417 1.00 . A A . 59 PRO HD3 1 1 1 865 1 1 59 PRO HG2 H -13.374 -11.899 2.739 1.00 . A A . 59 PRO HG2 1 1 1 866 1 1 59 PRO HG3 H -13.834 -10.171 2.669 1.00 . A A . 59 PRO HG3 1 1 1 867 1 1 59 PRO N N -11.515 -11.350 0.650 1.00 . A A . 59 PRO N 1 1 1 868 1 1 59 PRO O O -11.021 -13.646 2.069 1.00 . A A . 59 PRO O 1 1 1 869 1 1 60 THR C C -7.516 -13.817 4.406 1.00 . A A . 60 THR C 1 1 1 870 1 1 60 THR CA C -8.479 -14.039 3.228 1.00 . A A . 60 THR CA 1 1 1 871 1 1 60 THR CB C -7.853 -14.524 1.895 1.00 . A A . 60 THR CB 1 1 1 872 1 1 60 THR CG2 C -6.714 -15.547 1.966 1.00 . A A . 60 THR CG2 1 1 1 873 1 1 60 THR H H -8.628 -11.925 3.123 1.00 . A A . 60 THR H 1 1 1 874 1 1 60 THR HA H -9.203 -14.783 3.564 1.00 . A A . 60 THR HA 1 1 1 875 1 1 60 THR HB H -7.472 -13.660 1.346 1.00 . A A . 60 THR HB 1 1 1 876 1 1 60 THR HG1 H -9.694 -14.623 1.234 1.00 . A A . 60 THR HG1 1 1 1 877 1 1 60 THR HG21 H -5.783 -15.059 2.255 1.00 . A A . 60 THR HG21 1 1 1 878 1 1 60 THR HG22 H -6.957 -16.342 2.671 1.00 . A A . 60 THR HG22 1 1 1 879 1 1 60 THR HG23 H -6.562 -15.980 0.977 1.00 . A A . 60 THR HG23 1 1 1 880 1 1 60 THR N N -9.157 -12.770 2.957 1.00 . A A . 60 THR N 1 1 1 881 1 1 60 THR O O -6.399 -14.324 4.454 1.00 . A A . 60 THR O 1 1 1 882 1 1 60 THR OG1 O -8.876 -15.124 1.123 1.00 . A A . 60 THR OG1 1 1 1 883 1 1 61 LYS C C -6.000 -11.643 5.947 1.00 . A A . 61 LYS C 1 1 1 884 1 1 61 LYS CA C -7.179 -12.473 6.471 1.00 . A A . 61 LYS CA 1 1 1 885 1 1 61 LYS CB C -6.759 -13.550 7.477 1.00 . A A . 61 LYS CB 1 1 1 886 1 1 61 LYS CD C -7.578 -15.160 9.176 1.00 . A A . 61 LYS CD 1 1 1 887 1 1 61 LYS CE C -8.649 -16.181 9.588 1.00 . A A . 61 LYS CE 1 1 1 888 1 1 61 LYS CG C -7.956 -14.413 7.899 1.00 . A A . 61 LYS CG 1 1 1 889 1 1 61 LYS H H -8.950 -12.796 5.394 1.00 . A A . 61 LYS H 1 1 1 890 1 1 61 LYS HA H -7.834 -11.782 7.005 1.00 . A A . 61 LYS HA 1 1 1 891 1 1 61 LYS HB2 H -5.989 -14.199 7.058 1.00 . A A . 61 LYS HB2 1 1 1 892 1 1 61 LYS HB3 H -6.341 -13.043 8.348 1.00 . A A . 61 LYS HB3 1 1 1 893 1 1 61 LYS HD2 H -6.628 -15.661 8.989 1.00 . A A . 61 LYS HD2 1 1 1 894 1 1 61 LYS HD3 H -7.447 -14.406 9.952 1.00 . A A . 61 LYS HD3 1 1 1 895 1 1 61 LYS HE2 H -9.612 -15.675 9.689 1.00 . A A . 61 LYS HE2 1 1 1 896 1 1 61 LYS HE3 H -8.737 -16.940 8.807 1.00 . A A . 61 LYS HE3 1 1 1 897 1 1 61 LYS HG2 H -8.826 -13.781 8.089 1.00 . A A . 61 LYS HG2 1 1 1 898 1 1 61 LYS HG3 H -8.191 -15.120 7.101 1.00 . A A . 61 LYS HG3 1 1 1 899 1 1 61 LYS HZ1 H -8.272 -16.164 11.614 1.00 . A A . 61 LYS HZ1 1 1 1 900 1 1 61 LYS HZ2 H -9.031 -17.525 11.096 1.00 . A A . 61 LYS HZ2 1 1 1 901 1 1 61 LYS HZ3 H -7.429 -17.320 10.798 1.00 . A A . 61 LYS HZ3 1 1 1 902 1 1 61 LYS N N -7.974 -13.040 5.395 1.00 . A A . 61 LYS N 1 1 1 903 1 1 61 LYS NZ N -8.318 -16.844 10.868 1.00 . A A . 61 LYS NZ 1 1 1 904 1 1 61 LYS O O -6.036 -10.416 6.026 1.00 . A A . 61 LYS O 1 1 1 905 1 1 62 CYS C C -3.444 -11.996 3.538 1.00 . A A . 62 CYS C 1 1 1 906 1 1 62 CYS CA C -3.706 -11.708 5.017 1.00 . A A . 62 CYS CA 1 1 1 907 1 1 62 CYS CB C -2.580 -12.188 5.910 1.00 . A A . 62 CYS CB 1 1 1 908 1 1 62 CYS H H -5.087 -13.300 5.269 1.00 . A A . 62 CYS H 1 1 1 909 1 1 62 CYS HA H -3.793 -10.634 5.087 1.00 . A A . 62 CYS HA 1 1 1 910 1 1 62 CYS HB2 H -2.276 -13.187 5.595 1.00 . A A . 62 CYS HB2 1 1 1 911 1 1 62 CYS HB3 H -1.735 -11.507 5.807 1.00 . A A . 62 CYS HB3 1 1 1 912 1 1 62 CYS N N -4.963 -12.308 5.433 1.00 . A A . 62 CYS N 1 1 1 913 1 1 62 CYS O O -4.378 -12.126 2.751 1.00 . A A . 62 CYS O 1 1 1 914 1 1 62 CYS SG S -3.039 -12.310 7.664 1.00 . A A . 62 CYS SG 1 1 1 915 1 1 63 GLY C C -1.858 -11.474 0.745 1.00 . A A . 63 GLY C 1 1 1 916 1 1 63 GLY CA C -1.766 -12.551 1.823 1.00 . A A . 63 GLY CA 1 1 1 917 1 1 63 GLY H H -1.454 -11.793 3.793 1.00 . A A . 63 GLY H 1 1 1 918 1 1 63 GLY HA2 H -0.735 -12.902 1.889 1.00 . A A . 63 GLY HA2 1 1 1 919 1 1 63 GLY HA3 H -2.396 -13.394 1.536 1.00 . A A . 63 GLY HA3 1 1 1 920 1 1 63 GLY N N -2.172 -12.048 3.133 1.00 . A A . 63 GLY N 1 1 1 921 1 1 63 GLY O O -0.987 -11.372 -0.112 1.00 . A A . 63 GLY O 1 1 1 922 1 1 64 GLY C C -1.974 -8.705 -0.498 1.00 . A A . 64 GLY C 1 1 1 923 1 1 64 GLY CA C -3.190 -9.547 -0.093 1.00 . A A . 64 GLY CA 1 1 1 924 1 1 64 GLY H H -3.617 -10.890 1.497 1.00 . A A . 64 GLY H 1 1 1 925 1 1 64 GLY HA2 H -3.675 -9.938 -0.988 1.00 . A A . 64 GLY HA2 1 1 1 926 1 1 64 GLY HA3 H -3.886 -8.888 0.429 1.00 . A A . 64 GLY HA3 1 1 1 927 1 1 64 GLY N N -2.905 -10.649 0.816 1.00 . A A . 64 GLY N 1 1 1 928 1 1 64 GLY O O -1.930 -8.185 -1.609 1.00 . A A . 64 GLY O 1 1 1 929 1 1 65 CYS C C 1.383 -8.175 0.679 1.00 . A A . 65 CYS C 1 1 1 930 1 1 65 CYS CA C 0.046 -7.530 0.306 1.00 . A A . 65 CYS CA 1 1 1 931 1 1 65 CYS CB C -0.267 -6.354 1.198 1.00 . A A . 65 CYS CB 1 1 1 932 1 1 65 CYS H H -1.114 -9.023 1.287 1.00 . A A . 65 CYS H 1 1 1 933 1 1 65 CYS HA H 0.122 -7.171 -0.722 1.00 . A A . 65 CYS HA 1 1 1 934 1 1 65 CYS HB2 H -0.116 -6.677 2.224 1.00 . A A . 65 CYS HB2 1 1 1 935 1 1 65 CYS HB3 H 0.419 -5.534 0.988 1.00 . A A . 65 CYS HB3 1 1 1 936 1 1 65 CYS N N -1.029 -8.510 0.428 1.00 . A A . 65 CYS N 1 1 1 937 1 1 65 CYS O O 2.350 -8.115 -0.076 1.00 . A A . 65 CYS O 1 1 1 938 1 1 65 CYS SG S -1.995 -5.802 0.974 1.00 . A A . 65 CYS SG 1 1 1 939 1 1 66 HIS C C 2.664 -10.838 1.394 1.00 . A A . 66 HIS C 1 1 1 940 1 1 66 HIS CA C 2.606 -9.585 2.247 1.00 . A A . 66 HIS CA 1 1 1 941 1 1 66 HIS CB C 2.488 -10.066 3.691 1.00 . A A . 66 HIS CB 1 1 1 942 1 1 66 HIS CD2 C 1.264 -8.477 5.246 1.00 . A A . 66 HIS CD2 1 1 1 943 1 1 66 HIS CE1 C 2.972 -7.469 6.169 1.00 . A A . 66 HIS CE1 1 1 1 944 1 1 66 HIS CG C 2.411 -8.982 4.706 1.00 . A A . 66 HIS CG 1 1 1 945 1 1 66 HIS H H 0.630 -8.820 2.447 1.00 . A A . 66 HIS H 1 1 1 946 1 1 66 HIS HA H 3.517 -8.995 2.134 1.00 . A A . 66 HIS HA 1 1 1 947 1 1 66 HIS HB2 H 1.618 -10.718 3.772 1.00 . A A . 66 HIS HB2 1 1 1 948 1 1 66 HIS HB3 H 3.368 -10.675 3.907 1.00 . A A . 66 HIS HB3 1 1 1 949 1 1 66 HIS HD1 H 4.471 -8.512 5.129 1.00 . A A . 66 HIS HD1 1 1 1 950 1 1 66 HIS HD2 H 0.240 -8.690 5.004 1.00 . A A . 66 HIS HD2 1 1 1 951 1 1 66 HIS HE1 H 3.556 -6.796 6.770 1.00 . A A . 66 HIS HE1 1 1 1 952 1 1 66 HIS N N 1.443 -8.806 1.856 1.00 . A A . 66 HIS N 1 1 1 953 1 1 66 HIS ND1 N 3.475 -8.380 5.327 1.00 . A A . 66 HIS ND1 1 1 1 954 1 1 66 HIS NE2 N 1.634 -7.504 6.157 1.00 . A A . 66 HIS NE2 1 1 1 955 1 1 66 HIS O O 1.714 -11.619 1.411 1.00 . A A . 66 HIS O 1 1 1 956 1 1 67 ILE C C 4.438 -13.410 1.189 1.00 . A A . 67 ILE C 1 1 1 957 1 1 67 ILE CA C 4.007 -12.399 0.114 1.00 . A A . 67 ILE CA 1 1 1 958 1 1 67 ILE CB C 4.996 -12.226 -1.058 1.00 . A A . 67 ILE CB 1 1 1 959 1 1 67 ILE CD1 C 3.223 -11.007 -2.503 1.00 . A A . 67 ILE CD1 1 1 1 960 1 1 67 ILE CG1 C 4.649 -11.004 -1.937 1.00 . A A . 67 ILE CG1 1 1 1 961 1 1 67 ILE CG2 C 5.051 -13.490 -1.930 1.00 . A A . 67 ILE CG2 1 1 1 962 1 1 67 ILE H H 4.583 -10.471 0.838 1.00 . A A . 67 ILE H 1 1 1 963 1 1 67 ILE HA H 3.065 -12.755 -0.308 1.00 . A A . 67 ILE HA 1 1 1 964 1 1 67 ILE HB H 5.994 -12.049 -0.652 1.00 . A A . 67 ILE HB 1 1 1 965 1 1 67 ILE HD11 H 2.486 -10.976 -1.701 1.00 . A A . 67 ILE HD11 1 1 1 966 1 1 67 ILE HD12 H 3.087 -10.121 -3.123 1.00 . A A . 67 ILE HD12 1 1 1 967 1 1 67 ILE HD13 H 3.053 -11.889 -3.119 1.00 . A A . 67 ILE HD13 1 1 1 968 1 1 67 ILE HG12 H 4.781 -10.085 -1.363 1.00 . A A . 67 ILE HG12 1 1 1 969 1 1 67 ILE HG13 H 5.347 -10.963 -2.774 1.00 . A A . 67 ILE HG13 1 1 1 970 1 1 67 ILE HG21 H 5.469 -14.325 -1.370 1.00 . A A . 67 ILE HG21 1 1 1 971 1 1 67 ILE HG22 H 4.053 -13.766 -2.267 1.00 . A A . 67 ILE HG22 1 1 1 972 1 1 67 ILE HG23 H 5.685 -13.312 -2.799 1.00 . A A . 67 ILE HG23 1 1 1 973 1 1 67 ILE N N 3.806 -11.116 0.771 1.00 . A A . 67 ILE N 1 1 1 974 1 1 67 ILE O O 5.509 -14.001 1.091 1.00 . A A . 67 ILE O 1 1 1 975 1 1 68 LYS C C 2.663 -14.002 4.420 1.00 . A A . 68 LYS C 1 1 1 976 1 1 68 LYS CA C 3.830 -14.325 3.464 1.00 . A A . 68 LYS CA 1 1 1 977 1 1 68 LYS CB C 5.167 -13.957 4.140 1.00 . A A . 68 LYS CB 1 1 1 978 1 1 68 LYS CD C 7.201 -15.113 3.094 1.00 . A A . 68 LYS CD 1 1 1 979 1 1 68 LYS CE C 8.550 -15.748 3.454 1.00 . A A . 68 LYS CE 1 1 1 980 1 1 68 LYS CG C 6.240 -15.051 4.291 1.00 . A A . 68 LYS CG 1 1 1 981 1 1 68 LYS H H 2.735 -13.050 2.201 1.00 . A A . 68 LYS H 1 1 1 982 1 1 68 LYS HA H 3.814 -15.389 3.225 1.00 . A A . 68 LYS HA 1 1 1 983 1 1 68 LYS HB2 H 5.597 -13.098 3.631 1.00 . A A . 68 LYS HB2 1 1 1 984 1 1 68 LYS HB3 H 4.933 -13.665 5.164 1.00 . A A . 68 LYS HB3 1 1 1 985 1 1 68 LYS HD2 H 6.723 -15.685 2.297 1.00 . A A . 68 LYS HD2 1 1 1 986 1 1 68 LYS HD3 H 7.385 -14.096 2.744 1.00 . A A . 68 LYS HD3 1 1 1 987 1 1 68 LYS HE2 H 8.974 -15.233 4.320 1.00 . A A . 68 LYS HE2 1 1 1 988 1 1 68 LYS HE3 H 8.398 -16.798 3.712 1.00 . A A . 68 LYS HE3 1 1 1 989 1 1 68 LYS HG2 H 6.819 -14.785 5.179 1.00 . A A . 68 LYS HG2 1 1 1 990 1 1 68 LYS HG3 H 5.772 -16.020 4.473 1.00 . A A . 68 LYS HG3 1 1 1 991 1 1 68 LYS HZ1 H 9.141 -16.102 1.514 1.00 . A A . 68 LYS HZ1 1 1 1 992 1 1 68 LYS HZ2 H 9.677 -14.667 2.114 1.00 . A A . 68 LYS HZ2 1 1 1 993 1 1 68 LYS HZ3 H 10.388 -16.071 2.588 1.00 . A A . 68 LYS HZ3 1 1 1 994 1 1 68 LYS N N 3.614 -13.557 2.238 1.00 . A A . 68 LYS N 1 1 1 995 1 1 68 LYS NZ N 9.509 -15.640 2.334 1.00 . A A . 68 LYS NZ 1 1 1 996 1 1 68 LYS O O 2.475 -12.805 4.751 1.00 . A A . 68 LYS O 1 1 1 997 1 1 68 LYS OXT O 1.974 -14.952 4.838 1.00 . A A . 68 LYS OXT 1 1 1 998 2 2 1 HEC C1A C 7.556 8.474 -3.561 1.00 . B A . 69 HEC C1A 1 1 1 999 2 2 1 HEC C1B C 4.939 9.731 -6.682 1.00 . B A . 69 HEC C1B 1 1 1 1000 2 2 1 HEC C1C C 2.115 6.749 -5.493 1.00 . B A . 69 HEC C1C 1 1 1 1001 2 2 1 HEC C1D C 4.480 5.954 -2.040 1.00 . B A . 69 HEC C1D 1 1 1 1002 2 2 1 HEC C2A C 8.648 9.363 -3.896 1.00 . B A . 69 HEC C2A 1 1 1 1003 2 2 1 HEC C2B C 4.212 10.204 -7.836 1.00 . B A . 69 HEC C2B 1 1 1 1004 2 2 1 HEC C2C C 1.010 5.887 -5.144 1.00 . B A . 69 HEC C2C 1 1 1 1005 2 2 1 HEC C2D C 5.227 5.471 -0.903 1.00 . B A . 69 HEC C2D 1 1 1 1006 2 2 1 HEC C3A C 8.223 10.126 -4.951 1.00 . B A . 69 HEC C3A 1 1 1 1007 2 2 1 HEC C3B C 3.078 9.432 -7.945 1.00 . B A . 69 HEC C3B 1 1 1 1008 2 2 1 HEC C3C C 1.277 5.371 -3.894 1.00 . B A . 69 HEC C3C 1 1 1 1009 2 2 1 HEC C3D C 6.482 6.020 -0.996 1.00 . B A . 69 HEC C3D 1 1 1 1010 2 2 1 HEC C4A C 6.882 9.698 -5.270 1.00 . B A . 69 HEC C4A 1 1 1 1011 2 2 1 HEC C4B C 3.138 8.440 -6.890 1.00 . B A . 69 HEC C4B 1 1 1 1012 2 2 1 HEC C4C C 2.574 5.884 -3.503 1.00 . B A . 69 HEC C4C 1 1 1 1013 2 2 1 HEC C4D C 6.495 6.862 -2.161 1.00 . B A . 69 HEC C4D 1 1 1 1014 2 2 1 HEC CAA C 9.995 9.481 -3.210 1.00 . B A . 69 HEC CAA 1 1 1 1015 2 2 1 HEC CAB C 1.837 9.801 -8.733 1.00 . B A . 69 HEC CAB 1 1 1 1016 2 2 1 HEC CAC C 0.321 4.598 -2.998 1.00 . B A . 69 HEC CAC 1 1 1 1017 2 2 1 HEC CAD C 7.605 5.834 -0.012 1.00 . B A . 69 HEC CAD 1 1 1 1018 2 2 1 HEC CBA C 11.109 8.679 -3.888 1.00 . B A . 69 HEC CBA 1 1 1 1019 2 2 1 HEC CBB C 2.048 10.200 -10.199 1.00 . B A . 69 HEC CBB 1 1 1 1020 2 2 1 HEC CBC C -0.119 3.233 -3.533 1.00 . B A . 69 HEC CBC 1 1 1 1021 2 2 1 HEC CBD C 8.374 4.527 -0.212 1.00 . B A . 69 HEC CBD 1 1 1 1022 2 2 1 HEC CGA C 10.811 7.182 -3.860 1.00 . B A . 69 HEC CGA 1 1 1 1023 2 2 1 HEC CGD C 9.135 4.118 1.049 1.00 . B A . 69 HEC CGD 1 1 1 1024 2 2 1 HEC CHA C 7.580 7.601 -2.517 1.00 . B A . 69 HEC CHA 1 1 1 1025 2 2 1 HEC CHB C 6.156 10.242 -6.289 1.00 . B A . 69 HEC CHB 1 1 1 1026 2 2 1 HEC CHC C 2.147 7.505 -6.643 1.00 . B A . 69 HEC CHC 1 1 1 1027 2 2 1 HEC CHD C 3.211 5.537 -2.330 1.00 . B A . 69 HEC CHD 1 1 1 1028 2 2 1 HEC CMA C 9.041 11.148 -5.708 1.00 . B A . 69 HEC CMA 1 1 1 1029 2 2 1 HEC CMB C 4.606 11.330 -8.769 1.00 . B A . 69 HEC CMB 1 1 1 1030 2 2 1 HEC CMC C -0.237 5.683 -5.979 1.00 . B A . 69 HEC CMC 1 1 1 1031 2 2 1 HEC CMD C 4.754 4.492 0.152 1.00 . B A . 69 HEC CMD 1 1 1 1032 2 2 1 HEC FE FE 4.746 7.735 -4.461 1.00 . B A . 69 HEC FE 1 1 1 1033 2 2 1 HEC HAA1 H 10.304 10.522 -3.189 1.00 . B A . 69 HEC HAA1 1 1 1 1034 2 2 1 HEC HAA2 H 9.933 9.141 -2.179 1.00 . B A . 69 HEC HAA2 1 1 1 1035 2 2 1 HEC HAB H 1.170 8.947 -8.766 1.00 . B A . 69 HEC HAB 1 1 1 1036 2 2 1 HEC HAC H 0.775 4.405 -2.033 1.00 . B A . 69 HEC HAC 1 1 1 1037 2 2 1 HEC HAD1 H 8.330 6.641 -0.022 1.00 . B A . 69 HEC HAD1 1 1 1 1038 2 2 1 HEC HAD2 H 7.142 5.847 0.958 1.00 . B A . 69 HEC HAD2 1 1 1 1039 2 2 1 HEC HBA1 H 11.217 9.021 -4.919 1.00 . B A . 69 HEC HBA1 1 1 1 1040 2 2 1 HEC HBA2 H 12.047 8.866 -3.363 1.00 . B A . 69 HEC HBA2 1 1 1 1041 2 2 1 HEC HBB1 H 2.738 9.506 -10.680 1.00 . B A . 69 HEC HBB1 1 1 1 1042 2 2 1 HEC HBB2 H 1.094 10.153 -10.726 1.00 . B A . 69 HEC HBB2 1 1 1 1043 2 2 1 HEC HBB3 H 2.423 11.218 -10.284 1.00 . B A . 69 HEC HBB3 1 1 1 1044 2 2 1 HEC HBC1 H -0.585 2.665 -2.729 1.00 . B A . 69 HEC HBC1 1 1 1 1045 2 2 1 HEC HBC2 H -0.853 3.355 -4.324 1.00 . B A . 69 HEC HBC2 1 1 1 1046 2 2 1 HEC HBC3 H 0.739 2.672 -3.909 1.00 . B A . 69 HEC HBC3 1 1 1 1047 2 2 1 HEC HBD1 H 7.653 3.747 -0.444 1.00 . B A . 69 HEC HBD1 1 1 1 1048 2 2 1 HEC HBD2 H 9.054 4.633 -1.058 1.00 . B A . 69 HEC HBD2 1 1 1 1049 2 2 1 HEC HHA H 8.480 7.483 -1.942 1.00 . B A . 69 HEC HHA 1 1 1 1050 2 2 1 HEC HHB H 6.588 11.074 -6.803 1.00 . B A . 69 HEC HHB 1 1 1 1051 2 2 1 HEC HHC H 1.327 7.404 -7.326 1.00 . B A . 69 HEC HHC 1 1 1 1052 2 2 1 HEC HHD H 2.750 4.838 -1.662 1.00 . B A . 69 HEC HHD 1 1 1 1053 2 2 1 HEC HMA1 H 9.269 10.752 -6.698 1.00 . B A . 69 HEC HMA1 1 1 1 1054 2 2 1 HEC HMA2 H 8.487 12.080 -5.802 1.00 . B A . 69 HEC HMA2 1 1 1 1055 2 2 1 HEC HMA3 H 9.978 11.357 -5.197 1.00 . B A . 69 HEC HMA3 1 1 1 1056 2 2 1 HEC HMB1 H 3.842 12.106 -8.715 1.00 . B A . 69 HEC HMB1 1 1 1 1057 2 2 1 HEC HMB2 H 5.562 11.777 -8.516 1.00 . B A . 69 HEC HMB2 1 1 1 1058 2 2 1 HEC HMB3 H 4.675 10.943 -9.784 1.00 . B A . 69 HEC HMB3 1 1 1 1059 2 2 1 HEC HMC1 H -0.605 6.645 -6.330 1.00 . B A . 69 HEC HMC1 1 1 1 1060 2 2 1 HEC HMC2 H 0.008 5.054 -6.830 1.00 . B A . 69 HEC HMC2 1 1 1 1061 2 2 1 HEC HMC3 H -1.035 5.217 -5.407 1.00 . B A . 69 HEC HMC3 1 1 1 1062 2 2 1 HEC HMD1 H 3.684 4.570 0.322 1.00 . B A . 69 HEC HMD1 1 1 1 1063 2 2 1 HEC HMD2 H 4.990 3.475 -0.154 1.00 . B A . 69 HEC HMD2 1 1 1 1064 2 2 1 HEC HMD3 H 5.252 4.687 1.097 1.00 . B A . 69 HEC HMD3 1 1 1 1065 2 2 1 HEC NA N 6.525 8.712 -4.422 1.00 . B A . 69 HEC NA 1 1 1 1066 2 2 1 HEC NB N 4.252 8.690 -6.142 1.00 . B A . 69 HEC NB 1 1 1 1067 2 2 1 HEC NC N 3.022 6.717 -4.488 1.00 . B A . 69 HEC NC 1 1 1 1068 2 2 1 HEC ND N 5.278 6.795 -2.752 1.00 . B A . 69 HEC ND 1 1 1 1069 2 2 1 HEC O1A O 10.720 6.587 -4.956 1.00 . B A . 69 HEC O1A 1 1 1 1070 2 2 1 HEC O1D O 8.665 4.524 2.141 1.00 . B A . 69 HEC O1D 1 1 1 1071 2 2 1 HEC O2A O 10.596 6.650 -2.752 1.00 . B A . 69 HEC O2A 1 1 1 1072 2 2 1 HEC O2D O 10.110 3.350 0.928 1.00 . B A . 69 HEC O2D 1 1 1 1073 3 2 1 HEC C1A C -2.655 -4.357 -5.133 1.00 . C A . 70 HEC C1A 1 1 1 1074 3 2 1 HEC C1B C -0.750 -2.307 -1.901 1.00 . C A . 70 HEC C1B 1 1 1 1075 3 2 1 HEC C1C C -3.458 0.980 -2.371 1.00 . C A . 70 HEC C1C 1 1 1 1076 3 2 1 HEC C1D C -5.478 -1.147 -5.457 1.00 . C A . 70 HEC C1D 1 1 1 1077 3 2 1 HEC C2A C -1.813 -5.529 -5.107 1.00 . C A . 70 HEC C2A 1 1 1 1078 3 2 1 HEC C2B C -0.047 -1.767 -0.762 1.00 . C A . 70 HEC C2B 1 1 1 1079 3 2 1 HEC C2C C -4.274 2.170 -2.426 1.00 . C A . 70 HEC C2C 1 1 1 1080 3 2 1 HEC C2D C -6.220 -1.693 -6.567 1.00 . C A . 70 HEC C2D 1 1 1 1081 3 2 1 HEC C3A C -0.855 -5.325 -4.144 1.00 . C A . 70 HEC C3A 1 1 1 1082 3 2 1 HEC C3B C -0.534 -0.499 -0.539 1.00 . C A . 70 HEC C3B 1 1 1 1083 3 2 1 HEC C3C C -5.282 1.932 -3.333 1.00 . C A . 70 HEC C3C 1 1 1 1084 3 2 1 HEC C3D C -5.594 -2.857 -6.938 1.00 . C A . 70 HEC C3D 1 1 1 1085 3 2 1 HEC C4A C -1.142 -4.051 -3.521 1.00 . C A . 70 HEC C4A 1 1 1 1086 3 2 1 HEC C4B C -1.608 -0.294 -1.493 1.00 . C A . 70 HEC C4B 1 1 1 1087 3 2 1 HEC C4C C -5.002 0.635 -3.916 1.00 . C A . 70 HEC C4C 1 1 1 1088 3 2 1 HEC C4D C -4.555 -3.108 -5.962 1.00 . C A . 70 HEC C4D 1 1 1 1089 3 2 1 HEC CAA C -2.058 -6.811 -5.874 1.00 . C A . 70 HEC CAA 1 1 1 1090 3 2 1 HEC CAB C -0.087 0.462 0.560 1.00 . C A . 70 HEC CAB 1 1 1 1091 3 2 1 HEC CAC C -6.573 2.737 -3.493 1.00 . C A . 70 HEC CAC 1 1 1 1092 3 2 1 HEC CAD C -5.765 -3.551 -8.275 1.00 . C A . 70 HEC CAD 1 1 1 1093 3 2 1 HEC CBA C -3.230 -7.615 -5.294 1.00 . C A . 70 HEC CBA 1 1 1 1094 3 2 1 HEC CBB C 1.342 0.995 0.381 1.00 . C A . 70 HEC CBB 1 1 1 1095 3 2 1 HEC CBC C -6.499 3.993 -4.358 1.00 . C A . 70 HEC CBC 1 1 1 1096 3 2 1 HEC CBD C -4.787 -3.006 -9.333 1.00 . C A . 70 HEC CBD 1 1 1 1097 3 2 1 HEC CGA C -3.644 -8.784 -6.193 1.00 . C A . 70 HEC CGA 1 1 1 1098 3 2 1 HEC CGD C -5.106 -3.451 -10.769 1.00 . C A . 70 HEC CGD 1 1 1 1099 3 2 1 HEC CHA C -3.722 -4.204 -5.995 1.00 . C A . 70 HEC CHA 1 1 1 1100 3 2 1 HEC CHB C -0.472 -3.553 -2.421 1.00 . C A . 70 HEC CHB 1 1 1 1101 3 2 1 HEC CHC C -2.383 0.847 -1.531 1.00 . C A . 70 HEC CHC 1 1 1 1102 3 2 1 HEC CHD C -5.758 0.082 -4.913 1.00 . C A . 70 HEC CHD 1 1 1 1103 3 2 1 HEC CMA C 0.274 -6.274 -3.816 1.00 . C A . 70 HEC CMA 1 1 1 1104 3 2 1 HEC CMB C 0.927 -2.535 0.103 1.00 . C A . 70 HEC CMB 1 1 1 1105 3 2 1 HEC CMC C -4.056 3.429 -1.618 1.00 . C A . 70 HEC CMC 1 1 1 1106 3 2 1 HEC CMD C -7.394 -1.048 -7.274 1.00 . C A . 70 HEC CMD 1 1 1 1107 3 2 1 HEC FE FE -3.069 -1.731 -3.703 1.00 . C A . 70 HEC FE 1 1 1 1108 3 2 1 HEC HAA1 H -2.269 -6.578 -6.917 1.00 . C A . 70 HEC HAA1 1 1 1 1109 3 2 1 HEC HAA2 H -1.175 -7.448 -5.857 1.00 . C A . 70 HEC HAA2 1 1 1 1110 3 2 1 HEC HAB H -0.710 1.350 0.565 1.00 . C A . 70 HEC HAB 1 1 1 1111 3 2 1 HEC HAC H -7.339 2.111 -3.947 1.00 . C A . 70 HEC HAC 1 1 1 1112 3 2 1 HEC HAD1 H -5.625 -4.627 -8.184 1.00 . C A . 70 HEC HAD1 1 1 1 1113 3 2 1 HEC HAD2 H -6.777 -3.390 -8.645 1.00 . C A . 70 HEC HAD2 1 1 1 1114 3 2 1 HEC HBA1 H -2.942 -8.000 -4.315 1.00 . C A . 70 HEC HBA1 1 1 1 1115 3 2 1 HEC HBA2 H -4.084 -6.951 -5.158 1.00 . C A . 70 HEC HBA2 1 1 1 1116 3 2 1 HEC HBB1 H 1.560 1.726 1.160 1.00 . C A . 70 HEC HBB1 1 1 1 1117 3 2 1 HEC HBB2 H 2.087 0.204 0.433 1.00 . C A . 70 HEC HBB2 1 1 1 1118 3 2 1 HEC HBB3 H 1.428 1.485 -0.590 1.00 . C A . 70 HEC HBB3 1 1 1 1119 3 2 1 HEC HBC1 H -5.573 4.530 -4.170 1.00 . C A . 70 HEC HBC1 1 1 1 1120 3 2 1 HEC HBC2 H -6.569 3.699 -5.404 1.00 . C A . 70 HEC HBC2 1 1 1 1121 3 2 1 HEC HBC3 H -7.345 4.646 -4.143 1.00 . C A . 70 HEC HBC3 1 1 1 1122 3 2 1 HEC HBD1 H -4.821 -1.915 -9.302 1.00 . C A . 70 HEC HBD1 1 1 1 1123 3 2 1 HEC HBD2 H -3.776 -3.324 -9.071 1.00 . C A . 70 HEC HBD2 1 1 1 1124 3 2 1 HEC HHA H -3.906 -4.972 -6.725 1.00 . C A . 70 HEC HHA 1 1 1 1125 3 2 1 HEC HHB H 0.289 -4.150 -1.947 1.00 . C A . 70 HEC HHB 1 1 1 1126 3 2 1 HEC HHC H -2.175 1.655 -0.856 1.00 . C A . 70 HEC HHC 1 1 1 1127 3 2 1 HEC HHD H -6.543 0.675 -5.334 1.00 . C A . 70 HEC HHD 1 1 1 1128 3 2 1 HEC HMA1 H 1.056 -5.787 -3.237 1.00 . C A . 70 HEC HMA1 1 1 1 1129 3 2 1 HEC HMA2 H -0.119 -7.130 -3.268 1.00 . C A . 70 HEC HMA2 1 1 1 1130 3 2 1 HEC HMA3 H 0.723 -6.615 -4.749 1.00 . C A . 70 HEC HMA3 1 1 1 1131 3 2 1 HEC HMB1 H 1.521 -1.863 0.714 1.00 . C A . 70 HEC HMB1 1 1 1 1132 3 2 1 HEC HMB2 H 0.346 -3.184 0.756 1.00 . C A . 70 HEC HMB2 1 1 1 1133 3 2 1 HEC HMB3 H 1.594 -3.141 -0.504 1.00 . C A . 70 HEC HMB3 1 1 1 1134 3 2 1 HEC HMC1 H -4.625 4.259 -2.034 1.00 . C A . 70 HEC HMC1 1 1 1 1135 3 2 1 HEC HMC2 H -4.377 3.260 -0.590 1.00 . C A . 70 HEC HMC2 1 1 1 1136 3 2 1 HEC HMC3 H -3.003 3.703 -1.629 1.00 . C A . 70 HEC HMC3 1 1 1 1137 3 2 1 HEC HMD1 H -7.028 -0.517 -8.152 1.00 . C A . 70 HEC HMD1 1 1 1 1138 3 2 1 HEC HMD2 H -8.098 -1.817 -7.587 1.00 . C A . 70 HEC HMD2 1 1 1 1139 3 2 1 HEC HMD3 H -7.918 -0.346 -6.626 1.00 . C A . 70 HEC HMD3 1 1 1 1140 3 2 1 HEC NA N -2.219 -3.500 -4.159 1.00 . C A . 70 HEC NA 1 1 1 1141 3 2 1 HEC NB N -1.697 -1.404 -2.285 1.00 . C A . 70 HEC NB 1 1 1 1142 3 2 1 HEC NC N -3.925 0.095 -3.282 1.00 . C A . 70 HEC NC 1 1 1 1143 3 2 1 HEC ND N -4.507 -2.036 -5.116 1.00 . C A . 70 HEC ND 1 1 1 1144 3 2 1 HEC O1A O -2.748 -9.572 -6.567 1.00 . C A . 70 HEC O1A 1 1 1 1145 3 2 1 HEC O1D O -6.007 -4.304 -10.926 1.00 . C A . 70 HEC O1D 1 1 1 1146 3 2 1 HEC O2A O -4.858 -8.874 -6.489 1.00 . C A . 70 HEC O2A 1 1 1 1147 3 2 1 HEC O2D O -4.458 -2.910 -11.696 1.00 . C A . 70 HEC O2D 1 1 1 1148 4 2 1 HEC C1A C 2.764 -5.674 8.969 1.00 . D A . 71 HEC C1A 1 1 1 1149 4 2 1 HEC C1B C -0.082 -8.870 8.912 1.00 . D A . 71 HEC C1B 1 1 1 1150 4 2 1 HEC C1C C -1.910 -7.180 5.457 1.00 . D A . 71 HEC C1C 1 1 1 1151 4 2 1 HEC C1D C 1.170 -4.248 5.236 1.00 . D A . 71 HEC C1D 1 1 1 1152 4 2 1 HEC C2A C 3.526 -6.169 10.102 1.00 . D A . 71 HEC C2A 1 1 1 1153 4 2 1 HEC C2B C -1.005 -9.964 9.082 1.00 . D A . 71 HEC C2B 1 1 1 1154 4 2 1 HEC C2C C -2.568 -6.822 4.225 1.00 . D A . 71 HEC C2C 1 1 1 1155 4 2 1 HEC C2D C 2.148 -3.212 5.011 1.00 . D A . 71 HEC C2D 1 1 1 1156 4 2 1 HEC C3A C 2.834 -7.254 10.594 1.00 . D A . 71 HEC C3A 1 1 1 1157 4 2 1 HEC C3B C -1.994 -9.802 8.140 1.00 . D A . 71 HEC C3B 1 1 1 1158 4 2 1 HEC C3C C -1.924 -5.711 3.733 1.00 . D A . 71 HEC C3C 1 1 1 1159 4 2 1 HEC C3D C 2.938 -3.151 6.127 1.00 . D A . 71 HEC C3D 1 1 1 1160 4 2 1 HEC C4A C 1.799 -7.561 9.640 1.00 . D A . 71 HEC C4A 1 1 1 1161 4 2 1 HEC C4B C -1.603 -8.677 7.314 1.00 . D A . 71 HEC C4B 1 1 1 1162 4 2 1 HEC C4C C -0.784 -5.486 4.598 1.00 . D A . 71 HEC C4C 1 1 1 1163 4 2 1 HEC C4D C 2.520 -4.228 7.013 1.00 . D A . 71 HEC C4D 1 1 1 1164 4 2 1 HEC CAA C 4.925 -5.701 10.490 1.00 . D A . 71 HEC CAA 1 1 1 1165 4 2 1 HEC CAB C -3.306 -10.567 8.078 1.00 . D A . 71 HEC CAB 1 1 1 1166 4 2 1 HEC CAC C -2.309 -4.888 2.509 1.00 . D A . 71 HEC CAC 1 1 1 1167 4 2 1 HEC CAD C 3.930 -2.032 6.363 1.00 . D A . 71 HEC CAD 1 1 1 1168 4 2 1 HEC CBA C 5.851 -6.665 11.260 1.00 . D A . 71 HEC CBA 1 1 1 1169 4 2 1 HEC CBB C -4.142 -10.465 9.358 1.00 . D A . 71 HEC CBB 1 1 1 1170 4 2 1 HEC CBC C -3.749 -4.368 2.520 1.00 . D A . 71 HEC CBC 1 1 1 1171 4 2 1 HEC CBD C 5.419 -2.375 6.349 1.00 . D A . 71 HEC CBD 1 1 1 1172 4 2 1 HEC CGA C 5.626 -6.746 12.779 1.00 . D A . 71 HEC CGA 1 1 1 1173 4 2 1 HEC CGD C 5.925 -2.800 7.724 1.00 . D A . 71 HEC CGD 1 1 1 1174 4 2 1 HEC CHA C 3.124 -4.573 8.211 1.00 . D A . 71 HEC CHA 1 1 1 1175 4 2 1 HEC CHB C 0.977 -8.659 9.752 1.00 . D A . 71 HEC CHB 1 1 1 1176 4 2 1 HEC CHC C -2.296 -8.259 6.203 1.00 . D A . 71 HEC CHC 1 1 1 1177 4 2 1 HEC CHD C 0.161 -4.526 4.352 1.00 . D A . 71 HEC CHD 1 1 1 1178 4 2 1 HEC CMA C 2.993 -7.915 11.945 1.00 . D A . 71 HEC CMA 1 1 1 1179 4 2 1 HEC CMB C -0.937 -11.016 10.168 1.00 . D A . 71 HEC CMB 1 1 1 1180 4 2 1 HEC CMC C -3.657 -7.632 3.557 1.00 . D A . 71 HEC CMC 1 1 1 1181 4 2 1 HEC CMD C 2.303 -2.317 3.796 1.00 . D A . 71 HEC CMD 1 1 1 1182 4 2 1 HEC FE FE 0.463 -6.453 7.222 1.00 . D A . 71 HEC FE 1 1 1 1183 4 2 1 HEC HAA1 H 5.448 -5.492 9.555 1.00 . D A . 71 HEC HAA1 1 1 1 1184 4 2 1 HEC HAA2 H 4.876 -4.766 11.031 1.00 . D A . 71 HEC HAA2 1 1 1 1185 4 2 1 HEC HAB H -3.940 -10.144 7.309 1.00 . D A . 71 HEC HAB 1 1 1 1186 4 2 1 HEC HAC H -1.705 -3.987 2.455 1.00 . D A . 71 HEC HAC 1 1 1 1187 4 2 1 HEC HAD1 H 3.800 -1.262 5.606 1.00 . D A . 71 HEC HAD1 1 1 1 1188 4 2 1 HEC HAD2 H 3.685 -1.574 7.301 1.00 . D A . 71 HEC HAD2 1 1 1 1189 4 2 1 HEC HBA1 H 5.784 -7.658 10.814 1.00 . D A . 71 HEC HBA1 1 1 1 1190 4 2 1 HEC HBA2 H 6.873 -6.312 11.121 1.00 . D A . 71 HEC HBA2 1 1 1 1191 4 2 1 HEC HBB1 H -4.302 -9.415 9.606 1.00 . D A . 71 HEC HBB1 1 1 1 1192 4 2 1 HEC HBB2 H -5.112 -10.933 9.191 1.00 . D A . 71 HEC HBB2 1 1 1 1193 4 2 1 HEC HBB3 H -3.656 -10.961 10.196 1.00 . D A . 71 HEC HBB3 1 1 1 1194 4 2 1 HEC HBC1 H -4.470 -5.180 2.462 1.00 . D A . 71 HEC HBC1 1 1 1 1195 4 2 1 HEC HBC2 H -3.923 -3.797 3.432 1.00 . D A . 71 HEC HBC2 1 1 1 1196 4 2 1 HEC HBC3 H -3.885 -3.705 1.665 1.00 . D A . 71 HEC HBC3 1 1 1 1197 4 2 1 HEC HBD1 H 5.592 -3.157 5.609 1.00 . D A . 71 HEC HBD1 1 1 1 1198 4 2 1 HEC HBD2 H 5.975 -1.484 6.057 1.00 . D A . 71 HEC HBD2 1 1 1 1199 4 2 1 HEC HHA H 3.975 -4.011 8.534 1.00 . D A . 71 HEC HHA 1 1 1 1200 4 2 1 HEC HHB H 1.153 -9.359 10.543 1.00 . D A . 71 HEC HHB 1 1 1 1201 4 2 1 HEC HHC H -3.141 -8.813 5.853 1.00 . D A . 71 HEC HHC 1 1 1 1202 4 2 1 HEC HHD H 0.110 -3.980 3.428 1.00 . D A . 71 HEC HHD 1 1 1 1203 4 2 1 HEC HMA1 H 3.846 -8.592 11.943 1.00 . D A . 71 HEC HMA1 1 1 1 1204 4 2 1 HEC HMA2 H 3.121 -7.142 12.700 1.00 . D A . 71 HEC HMA2 1 1 1 1205 4 2 1 HEC HMA3 H 2.104 -8.467 12.237 1.00 . D A . 71 HEC HMA3 1 1 1 1206 4 2 1 HEC HMB1 H 0.081 -11.379 10.289 1.00 . D A . 71 HEC HMB1 1 1 1 1207 4 2 1 HEC HMB2 H -1.280 -10.582 11.107 1.00 . D A . 71 HEC HMB2 1 1 1 1208 4 2 1 HEC HMB3 H -1.564 -11.870 9.920 1.00 . D A . 71 HEC HMB3 1 1 1 1209 4 2 1 HEC HMC1 H -4.596 -7.501 4.095 1.00 . D A . 71 HEC HMC1 1 1 1 1210 4 2 1 HEC HMC2 H -3.782 -7.330 2.520 1.00 . D A . 71 HEC HMC2 1 1 1 1211 4 2 1 HEC HMC3 H -3.379 -8.687 3.567 1.00 . D A . 71 HEC HMC3 1 1 1 1212 4 2 1 HEC HMD1 H 2.143 -1.274 4.061 1.00 . D A . 71 HEC HMD1 1 1 1 1213 4 2 1 HEC HMD2 H 3.319 -2.422 3.420 1.00 . D A . 71 HEC HMD2 1 1 1 1214 4 2 1 HEC HMD3 H 1.609 -2.561 3.001 1.00 . D A . 71 HEC HMD3 1 1 1 1215 4 2 1 HEC NA N 1.759 -6.572 8.720 1.00 . D A . 71 HEC NA 1 1 1 1216 4 2 1 HEC NB N -0.465 -8.141 7.842 1.00 . D A . 71 HEC NB 1 1 1 1217 4 2 1 HEC NC N -0.850 -6.366 5.644 1.00 . D A . 71 HEC NC 1 1 1 1218 4 2 1 HEC ND N 1.444 -4.842 6.437 1.00 . D A . 71 HEC ND 1 1 1 1219 4 2 1 HEC O1A O 5.110 -5.764 13.368 1.00 . D A . 71 HEC O1A 1 1 1 1220 4 2 1 HEC O1D O 5.589 -2.111 8.721 1.00 . D A . 71 HEC O1D 1 1 1 1221 4 2 1 HEC O2A O 5.921 -7.822 13.343 1.00 . D A . 71 HEC O2A 1 1 1 1222 4 2 1 HEC O2D O 6.523 -3.897 7.762 1.00 . D A . 71 HEC O2D 1 1 2 1223 1 1 1 ALA C C 9.843 1.627 -10.697 1.00 . A A . 1 ALA C 1 1 2 1224 1 1 1 ALA CA C 11.294 1.378 -11.135 1.00 . A A . 1 ALA CA 1 1 2 1225 1 1 1 ALA CB C 11.795 2.499 -12.055 1.00 . A A . 1 ALA CB 1 1 2 1226 1 1 1 ALA H1 H 10.594 -0.180 -12.315 1.00 . A A . 1 ALA H1 1 1 2 1227 1 1 1 ALA H2 H 12.236 0.050 -12.426 1.00 . A A . 1 ALA H2 1 1 2 1228 1 1 1 ALA H3 H 11.539 -0.671 -11.119 1.00 . A A . 1 ALA H3 1 1 2 1229 1 1 1 ALA HA H 11.924 1.381 -10.244 1.00 . A A . 1 ALA HA 1 1 2 1230 1 1 1 ALA HB1 H 12.829 2.311 -12.347 1.00 . A A . 1 ALA HB1 1 1 2 1231 1 1 1 ALA HB2 H 11.174 2.556 -12.950 1.00 . A A . 1 ALA HB2 1 1 2 1232 1 1 1 ALA HB3 H 11.752 3.456 -11.533 1.00 . A A . 1 ALA HB3 1 1 2 1233 1 1 1 ALA N N 11.448 0.066 -11.800 1.00 . A A . 1 ALA N 1 1 2 1234 1 1 1 ALA O O 9.368 2.758 -10.749 1.00 . A A . 1 ALA O 1 1 2 1235 1 1 2 ASP C C 7.028 -0.275 -9.282 1.00 . A A . 2 ASP C 1 1 2 1236 1 1 2 ASP CA C 7.672 0.515 -10.419 1.00 . A A . 2 ASP CA 1 1 2 1237 1 1 2 ASP CB C 7.300 -0.095 -11.787 1.00 . A A . 2 ASP CB 1 1 2 1238 1 1 2 ASP CG C 8.077 -1.366 -12.111 1.00 . A A . 2 ASP CG 1 1 2 1239 1 1 2 ASP H H 9.532 -0.354 -10.449 1.00 . A A . 2 ASP H 1 1 2 1240 1 1 2 ASP HA H 7.271 1.523 -10.312 1.00 . A A . 2 ASP HA 1 1 2 1241 1 1 2 ASP HB2 H 6.244 -0.361 -11.800 1.00 . A A . 2 ASP HB2 1 1 2 1242 1 1 2 ASP HB3 H 7.494 0.634 -12.573 1.00 . A A . 2 ASP HB3 1 1 2 1243 1 1 2 ASP N N 9.123 0.562 -10.335 1.00 . A A . 2 ASP N 1 1 2 1244 1 1 2 ASP O O 5.815 -0.168 -9.099 1.00 . A A . 2 ASP O 1 1 2 1245 1 1 2 ASP OD1 O 9.314 -1.234 -12.280 1.00 . A A . 2 ASP OD1 1 1 2 1246 1 1 2 ASP OD2 O 7.441 -2.435 -12.160 1.00 . A A . 2 ASP OD2 1 1 2 1247 1 1 3 VAL C C 8.548 -1.656 -6.326 1.00 . A A . 3 VAL C 1 1 2 1248 1 1 3 VAL CA C 7.414 -1.785 -7.346 1.00 . A A . 3 VAL CA 1 1 2 1249 1 1 3 VAL CB C 7.146 -3.243 -7.776 1.00 . A A . 3 VAL CB 1 1 2 1250 1 1 3 VAL CG1 C 8.326 -3.872 -8.533 1.00 . A A . 3 VAL CG1 1 1 2 1251 1 1 3 VAL CG2 C 6.781 -4.147 -6.591 1.00 . A A . 3 VAL CG2 1 1 2 1252 1 1 3 VAL H H 8.824 -0.983 -8.644 1.00 . A A . 3 VAL H 1 1 2 1253 1 1 3 VAL HA H 6.507 -1.357 -6.919 1.00 . A A . 3 VAL HA 1 1 2 1254 1 1 3 VAL HB H 6.290 -3.234 -8.454 1.00 . A A . 3 VAL HB 1 1 2 1255 1 1 3 VAL HG11 H 8.546 -3.309 -9.441 1.00 . A A . 3 VAL HG11 1 1 2 1256 1 1 3 VAL HG12 H 9.214 -3.904 -7.903 1.00 . A A . 3 VAL HG12 1 1 2 1257 1 1 3 VAL HG13 H 8.068 -4.890 -8.825 1.00 . A A . 3 VAL HG13 1 1 2 1258 1 1 3 VAL HG21 H 7.612 -4.228 -5.890 1.00 . A A . 3 VAL HG21 1 1 2 1259 1 1 3 VAL HG22 H 5.911 -3.749 -6.076 1.00 . A A . 3 VAL HG22 1 1 2 1260 1 1 3 VAL HG23 H 6.534 -5.144 -6.955 1.00 . A A . 3 VAL HG23 1 1 2 1261 1 1 3 VAL N N 7.825 -1.007 -8.502 1.00 . A A . 3 VAL N 1 1 2 1262 1 1 3 VAL O O 9.706 -1.546 -6.733 1.00 . A A . 3 VAL O 1 1 2 1263 1 1 4 VAL C C 8.817 -2.603 -2.897 1.00 . A A . 4 VAL C 1 1 2 1264 1 1 4 VAL CA C 9.203 -1.567 -3.944 1.00 . A A . 4 VAL CA 1 1 2 1265 1 1 4 VAL CB C 9.269 -0.143 -3.361 1.00 . A A . 4 VAL CB 1 1 2 1266 1 1 4 VAL CG1 C 10.087 -0.032 -2.059 1.00 . A A . 4 VAL CG1 1 1 2 1267 1 1 4 VAL CG2 C 9.907 0.811 -4.368 1.00 . A A . 4 VAL CG2 1 1 2 1268 1 1 4 VAL H H 7.249 -1.728 -4.759 1.00 . A A . 4 VAL H 1 1 2 1269 1 1 4 VAL HA H 10.199 -1.826 -4.288 1.00 . A A . 4 VAL HA 1 1 2 1270 1 1 4 VAL HB H 8.253 0.198 -3.190 1.00 . A A . 4 VAL HB 1 1 2 1271 1 1 4 VAL HG11 H 11.090 -0.427 -2.210 1.00 . A A . 4 VAL HG11 1 1 2 1272 1 1 4 VAL HG12 H 10.167 1.010 -1.757 1.00 . A A . 4 VAL HG12 1 1 2 1273 1 1 4 VAL HG13 H 9.615 -0.572 -1.240 1.00 . A A . 4 VAL HG13 1 1 2 1274 1 1 4 VAL HG21 H 10.918 0.472 -4.591 1.00 . A A . 4 VAL HG21 1 1 2 1275 1 1 4 VAL HG22 H 9.313 0.848 -5.279 1.00 . A A . 4 VAL HG22 1 1 2 1276 1 1 4 VAL HG23 H 9.947 1.808 -3.934 1.00 . A A . 4 VAL HG23 1 1 2 1277 1 1 4 VAL N N 8.228 -1.627 -5.030 1.00 . A A . 4 VAL N 1 1 2 1278 1 1 4 VAL O O 7.702 -3.128 -2.918 1.00 . A A . 4 VAL O 1 1 2 1279 1 1 5 THR C C 9.949 -2.737 0.500 1.00 . A A . 5 THR C 1 1 2 1280 1 1 5 THR CA C 9.377 -3.484 -0.708 1.00 . A A . 5 THR CA 1 1 2 1281 1 1 5 THR CB C 9.746 -4.971 -0.696 1.00 . A A . 5 THR CB 1 1 2 1282 1 1 5 THR CG2 C 11.253 -5.238 -0.758 1.00 . A A . 5 THR CG2 1 1 2 1283 1 1 5 THR H H 10.641 -2.431 -2.001 1.00 . A A . 5 THR H 1 1 2 1284 1 1 5 THR HA H 8.299 -3.354 -0.623 1.00 . A A . 5 THR HA 1 1 2 1285 1 1 5 THR HB H 9.260 -5.463 -1.541 1.00 . A A . 5 THR HB 1 1 2 1286 1 1 5 THR HG1 H 8.381 -5.036 0.595 1.00 . A A . 5 THR HG1 1 1 2 1287 1 1 5 THR HG21 H 11.755 -4.811 0.110 1.00 . A A . 5 THR HG21 1 1 2 1288 1 1 5 THR HG22 H 11.427 -6.314 -0.765 1.00 . A A . 5 THR HG22 1 1 2 1289 1 1 5 THR HG23 H 11.675 -4.806 -1.666 1.00 . A A . 5 THR HG23 1 1 2 1290 1 1 5 THR N N 9.739 -2.882 -1.967 1.00 . A A . 5 THR N 1 1 2 1291 1 1 5 THR O O 11.057 -2.211 0.454 1.00 . A A . 5 THR O 1 1 2 1292 1 1 5 THR OG1 O 9.224 -5.491 0.497 1.00 . A A . 5 THR OG1 1 1 2 1293 1 1 6 TYR C C 10.489 -3.073 3.653 1.00 . A A . 6 TYR C 1 1 2 1294 1 1 6 TYR CA C 9.495 -2.186 2.887 1.00 . A A . 6 TYR CA 1 1 2 1295 1 1 6 TYR CB C 8.210 -2.002 3.711 1.00 . A A . 6 TYR CB 1 1 2 1296 1 1 6 TYR CD1 C 7.637 0.273 2.715 1.00 . A A . 6 TYR CD1 1 1 2 1297 1 1 6 TYR CD2 C 5.847 -1.323 3.085 1.00 . A A . 6 TYR CD2 1 1 2 1298 1 1 6 TYR CE1 C 6.746 1.103 2.014 1.00 . A A . 6 TYR CE1 1 1 2 1299 1 1 6 TYR CE2 C 4.955 -0.498 2.384 1.00 . A A . 6 TYR CE2 1 1 2 1300 1 1 6 TYR CG C 7.211 -0.990 3.170 1.00 . A A . 6 TYR CG 1 1 2 1301 1 1 6 TYR CZ C 5.419 0.688 1.803 1.00 . A A . 6 TYR CZ 1 1 2 1302 1 1 6 TYR H H 8.221 -3.083 1.440 1.00 . A A . 6 TYR H 1 1 2 1303 1 1 6 TYR HA H 9.966 -1.216 2.751 1.00 . A A . 6 TYR HA 1 1 2 1304 1 1 6 TYR HB2 H 7.725 -2.973 3.801 1.00 . A A . 6 TYR HB2 1 1 2 1305 1 1 6 TYR HB3 H 8.492 -1.700 4.717 1.00 . A A . 6 TYR HB3 1 1 2 1306 1 1 6 TYR HD1 H 8.664 0.583 2.825 1.00 . A A . 6 TYR HD1 1 1 2 1307 1 1 6 TYR HD2 H 5.477 -2.227 3.529 1.00 . A A . 6 TYR HD2 1 1 2 1308 1 1 6 TYR HE1 H 7.138 1.959 1.489 1.00 . A A . 6 TYR HE1 1 1 2 1309 1 1 6 TYR HE2 H 3.944 -0.820 2.198 1.00 . A A . 6 TYR HE2 1 1 2 1310 1 1 6 TYR HH H 5.055 1.531 0.121 1.00 . A A . 6 TYR HH 1 1 2 1311 1 1 6 TYR N N 9.152 -2.717 1.573 1.00 . A A . 6 TYR N 1 1 2 1312 1 1 6 TYR O O 11.372 -2.551 4.327 1.00 . A A . 6 TYR O 1 1 2 1313 1 1 6 TYR OH O 4.604 1.372 0.956 1.00 . A A . 6 TYR OH 1 1 2 1314 1 1 7 GLU C C 10.325 -5.468 5.811 1.00 . A A . 7 GLU C 1 1 2 1315 1 1 7 GLU CA C 10.947 -5.421 4.406 1.00 . A A . 7 GLU CA 1 1 2 1316 1 1 7 GLU CB C 12.470 -5.303 4.472 1.00 . A A . 7 GLU CB 1 1 2 1317 1 1 7 GLU CD C 14.549 -6.415 5.425 1.00 . A A . 7 GLU CD 1 1 2 1318 1 1 7 GLU CG C 13.121 -6.618 4.936 1.00 . A A . 7 GLU CG 1 1 2 1319 1 1 7 GLU H H 9.632 -4.712 2.893 1.00 . A A . 7 GLU H 1 1 2 1320 1 1 7 GLU HA H 10.742 -6.356 3.896 1.00 . A A . 7 GLU HA 1 1 2 1321 1 1 7 GLU HB2 H 12.854 -5.060 3.484 1.00 . A A . 7 GLU HB2 1 1 2 1322 1 1 7 GLU HB3 H 12.727 -4.509 5.172 1.00 . A A . 7 GLU HB3 1 1 2 1323 1 1 7 GLU HG2 H 12.564 -7.057 5.761 1.00 . A A . 7 GLU HG2 1 1 2 1324 1 1 7 GLU HG3 H 13.141 -7.322 4.106 1.00 . A A . 7 GLU HG3 1 1 2 1325 1 1 7 GLU N N 10.315 -4.399 3.564 1.00 . A A . 7 GLU N 1 1 2 1326 1 1 7 GLU O O 10.129 -4.445 6.453 1.00 . A A . 7 GLU O 1 1 2 1327 1 1 7 GLU OE1 O 15.387 -6.026 4.586 1.00 . A A . 7 GLU OE1 1 1 2 1328 1 1 7 GLU OE2 O 14.772 -6.669 6.630 1.00 . A A . 7 GLU OE2 1 1 2 1329 1 1 8 ASN C C 9.557 -8.423 7.846 1.00 . A A . 8 ASN C 1 1 2 1330 1 1 8 ASN CA C 9.236 -6.992 7.473 1.00 . A A . 8 ASN CA 1 1 2 1331 1 1 8 ASN CB C 7.718 -6.944 7.256 1.00 . A A . 8 ASN CB 1 1 2 1332 1 1 8 ASN CG C 7.208 -5.524 7.262 1.00 . A A . 8 ASN CG 1 1 2 1333 1 1 8 ASN H H 10.327 -7.477 5.745 1.00 . A A . 8 ASN H 1 1 2 1334 1 1 8 ASN HA H 9.527 -6.319 8.284 1.00 . A A . 8 ASN HA 1 1 2 1335 1 1 8 ASN HB2 H 7.436 -7.448 6.335 1.00 . A A . 8 ASN HB2 1 1 2 1336 1 1 8 ASN HB3 H 7.222 -7.457 8.080 1.00 . A A . 8 ASN HB3 1 1 2 1337 1 1 8 ASN HD21 H 7.693 -5.294 5.298 1.00 . A A . 8 ASN HD21 1 1 2 1338 1 1 8 ASN HD22 H 7.281 -3.856 6.202 1.00 . A A . 8 ASN HD22 1 1 2 1339 1 1 8 ASN N N 9.983 -6.680 6.261 1.00 . A A . 8 ASN N 1 1 2 1340 1 1 8 ASN ND2 N 7.295 -4.870 6.112 1.00 . A A . 8 ASN ND2 1 1 2 1341 1 1 8 ASN O O 9.796 -9.243 6.952 1.00 . A A . 8 ASN O 1 1 2 1342 1 1 8 ASN OD1 O 6.743 -5.041 8.289 1.00 . A A . 8 ASN OD1 1 1 2 1343 1 1 9 LYS C C 8.575 -11.001 9.321 1.00 . A A . 9 LYS C 1 1 2 1344 1 1 9 LYS CA C 9.688 -10.028 9.726 1.00 . A A . 9 LYS CA 1 1 2 1345 1 1 9 LYS CB C 9.787 -9.887 11.259 1.00 . A A . 9 LYS CB 1 1 2 1346 1 1 9 LYS CD C 12.346 -9.970 11.562 1.00 . A A . 9 LYS CD 1 1 2 1347 1 1 9 LYS CE C 12.563 -8.678 12.368 1.00 . A A . 9 LYS CE 1 1 2 1348 1 1 9 LYS CG C 10.988 -10.636 11.856 1.00 . A A . 9 LYS CG 1 1 2 1349 1 1 9 LYS H H 9.096 -7.988 9.766 1.00 . A A . 9 LYS H 1 1 2 1350 1 1 9 LYS HA H 10.624 -10.415 9.325 1.00 . A A . 9 LYS HA 1 1 2 1351 1 1 9 LYS HB2 H 9.844 -8.838 11.546 1.00 . A A . 9 LYS HB2 1 1 2 1352 1 1 9 LYS HB3 H 8.876 -10.284 11.708 1.00 . A A . 9 LYS HB3 1 1 2 1353 1 1 9 LYS HD2 H 13.126 -10.688 11.827 1.00 . A A . 9 LYS HD2 1 1 2 1354 1 1 9 LYS HD3 H 12.426 -9.761 10.493 1.00 . A A . 9 LYS HD3 1 1 2 1355 1 1 9 LYS HE2 H 11.768 -7.961 12.152 1.00 . A A . 9 LYS HE2 1 1 2 1356 1 1 9 LYS HE3 H 12.534 -8.911 13.434 1.00 . A A . 9 LYS HE3 1 1 2 1357 1 1 9 LYS HG2 H 10.854 -10.709 12.936 1.00 . A A . 9 LYS HG2 1 1 2 1358 1 1 9 LYS HG3 H 10.989 -11.651 11.452 1.00 . A A . 9 LYS HG3 1 1 2 1359 1 1 9 LYS HZ1 H 14.623 -8.661 12.242 1.00 . A A . 9 LYS HZ1 1 1 2 1360 1 1 9 LYS HZ2 H 13.883 -7.770 11.070 1.00 . A A . 9 LYS HZ2 1 1 2 1361 1 1 9 LYS HZ3 H 13.969 -7.199 12.607 1.00 . A A . 9 LYS HZ3 1 1 2 1362 1 1 9 LYS N N 9.469 -8.716 9.144 1.00 . A A . 9 LYS N 1 1 2 1363 1 1 9 LYS NZ N 13.855 -8.033 12.047 1.00 . A A . 9 LYS NZ 1 1 2 1364 1 1 9 LYS O O 8.791 -12.210 9.333 1.00 . A A . 9 LYS O 1 1 2 1365 1 1 10 LYS C C 6.661 -12.031 7.224 1.00 . A A . 10 LYS C 1 1 2 1366 1 1 10 LYS CA C 6.273 -11.321 8.518 1.00 . A A . 10 LYS CA 1 1 2 1367 1 1 10 LYS CB C 5.013 -10.472 8.269 1.00 . A A . 10 LYS CB 1 1 2 1368 1 1 10 LYS CD C 3.705 -10.427 10.502 1.00 . A A . 10 LYS CD 1 1 2 1369 1 1 10 LYS CE C 4.561 -11.373 11.358 1.00 . A A . 10 LYS CE 1 1 2 1370 1 1 10 LYS CG C 4.525 -9.649 9.462 1.00 . A A . 10 LYS CG 1 1 2 1371 1 1 10 LYS H H 7.271 -9.489 9.033 1.00 . A A . 10 LYS H 1 1 2 1372 1 1 10 LYS HA H 6.074 -12.091 9.257 1.00 . A A . 10 LYS HA 1 1 2 1373 1 1 10 LYS HB2 H 5.234 -9.755 7.478 1.00 . A A . 10 LYS HB2 1 1 2 1374 1 1 10 LYS HB3 H 4.206 -11.115 7.915 1.00 . A A . 10 LYS HB3 1 1 2 1375 1 1 10 LYS HD2 H 3.246 -9.675 11.140 1.00 . A A . 10 LYS HD2 1 1 2 1376 1 1 10 LYS HD3 H 2.905 -10.973 9.996 1.00 . A A . 10 LYS HD3 1 1 2 1377 1 1 10 LYS HE2 H 4.650 -12.331 10.850 1.00 . A A . 10 LYS HE2 1 1 2 1378 1 1 10 LYS HE3 H 5.556 -10.943 11.494 1.00 . A A . 10 LYS HE3 1 1 2 1379 1 1 10 LYS HG2 H 5.374 -9.162 9.932 1.00 . A A . 10 LYS HG2 1 1 2 1380 1 1 10 LYS HG3 H 3.879 -8.867 9.052 1.00 . A A . 10 LYS HG3 1 1 2 1381 1 1 10 LYS HZ1 H 4.565 -12.256 13.208 1.00 . A A . 10 LYS HZ1 1 1 2 1382 1 1 10 LYS HZ2 H 3.920 -10.748 13.212 1.00 . A A . 10 LYS HZ2 1 1 2 1383 1 1 10 LYS HZ3 H 3.053 -12.015 12.608 1.00 . A A . 10 LYS HZ3 1 1 2 1384 1 1 10 LYS N N 7.382 -10.492 8.987 1.00 . A A . 10 LYS N 1 1 2 1385 1 1 10 LYS NZ N 3.977 -11.614 12.694 1.00 . A A . 10 LYS NZ 1 1 2 1386 1 1 10 LYS O O 6.618 -13.256 7.135 1.00 . A A . 10 LYS O 1 1 2 1387 1 1 11 GLY C C 7.453 -10.477 3.985 1.00 . A A . 11 GLY C 1 1 2 1388 1 1 11 GLY CA C 7.386 -11.687 4.901 1.00 . A A . 11 GLY CA 1 1 2 1389 1 1 11 GLY H H 6.924 -10.227 6.365 1.00 . A A . 11 GLY H 1 1 2 1390 1 1 11 GLY HA2 H 8.365 -12.165 4.950 1.00 . A A . 11 GLY HA2 1 1 2 1391 1 1 11 GLY HA3 H 6.653 -12.400 4.521 1.00 . A A . 11 GLY HA3 1 1 2 1392 1 1 11 GLY N N 6.994 -11.226 6.217 1.00 . A A . 11 GLY N 1 1 2 1393 1 1 11 GLY O O 6.855 -10.477 2.906 1.00 . A A . 11 GLY O 1 1 2 1394 1 1 12 ASN C C 6.875 -7.593 3.467 1.00 . A A . 12 ASN C 1 1 2 1395 1 1 12 ASN CA C 8.270 -8.156 3.741 1.00 . A A . 12 ASN CA 1 1 2 1396 1 1 12 ASN CB C 9.104 -8.365 2.457 1.00 . A A . 12 ASN CB 1 1 2 1397 1 1 12 ASN CG C 10.570 -8.751 2.669 1.00 . A A . 12 ASN CG 1 1 2 1398 1 1 12 ASN H H 8.568 -9.509 5.380 1.00 . A A . 12 ASN H 1 1 2 1399 1 1 12 ASN HA H 8.749 -7.372 4.335 1.00 . A A . 12 ASN HA 1 1 2 1400 1 1 12 ASN HB2 H 8.639 -9.108 1.809 1.00 . A A . 12 ASN HB2 1 1 2 1401 1 1 12 ASN HB3 H 9.140 -7.435 1.905 1.00 . A A . 12 ASN HB3 1 1 2 1402 1 1 12 ASN HD21 H 10.378 -9.126 4.682 1.00 . A A . 12 ASN HD21 1 1 2 1403 1 1 12 ASN HD22 H 11.983 -9.245 4.002 1.00 . A A . 12 ASN HD22 1 1 2 1404 1 1 12 ASN N N 8.143 -9.424 4.461 1.00 . A A . 12 ASN N 1 1 2 1405 1 1 12 ASN ND2 N 10.999 -9.057 3.893 1.00 . A A . 12 ASN ND2 1 1 2 1406 1 1 12 ASN O O 5.893 -8.040 4.060 1.00 . A A . 12 ASN O 1 1 2 1407 1 1 12 ASN OD1 O 11.342 -8.753 1.717 1.00 . A A . 12 ASN OD1 1 1 2 1408 1 1 13 VAL C C 5.972 -5.707 0.587 1.00 . A A . 13 VAL C 1 1 2 1409 1 1 13 VAL CA C 5.568 -6.126 1.986 1.00 . A A . 13 VAL CA 1 1 2 1410 1 1 13 VAL CB C 5.001 -4.912 2.727 1.00 . A A . 13 VAL CB 1 1 2 1411 1 1 13 VAL CG1 C 3.936 -4.193 1.885 1.00 . A A . 13 VAL CG1 1 1 2 1412 1 1 13 VAL CG2 C 4.394 -5.298 4.074 1.00 . A A . 13 VAL CG2 1 1 2 1413 1 1 13 VAL H H 7.649 -6.158 2.268 1.00 . A A . 13 VAL H 1 1 2 1414 1 1 13 VAL HA H 4.825 -6.923 1.944 1.00 . A A . 13 VAL HA 1 1 2 1415 1 1 13 VAL HB H 5.827 -4.228 2.910 1.00 . A A . 13 VAL HB 1 1 2 1416 1 1 13 VAL HG11 H 3.513 -3.381 2.463 1.00 . A A . 13 VAL HG11 1 1 2 1417 1 1 13 VAL HG12 H 4.363 -3.744 0.989 1.00 . A A . 13 VAL HG12 1 1 2 1418 1 1 13 VAL HG13 H 3.145 -4.887 1.603 1.00 . A A . 13 VAL HG13 1 1 2 1419 1 1 13 VAL HG21 H 4.027 -4.402 4.562 1.00 . A A . 13 VAL HG21 1 1 2 1420 1 1 13 VAL HG22 H 3.570 -5.996 3.925 1.00 . A A . 13 VAL HG22 1 1 2 1421 1 1 13 VAL HG23 H 5.150 -5.737 4.719 1.00 . A A . 13 VAL HG23 1 1 2 1422 1 1 13 VAL N N 6.796 -6.575 2.615 1.00 . A A . 13 VAL N 1 1 2 1423 1 1 13 VAL O O 6.653 -4.689 0.459 1.00 . A A . 13 VAL O 1 1 2 1424 1 1 14 THR C C 4.623 -4.980 -2.068 1.00 . A A . 14 THR C 1 1 2 1425 1 1 14 THR CA C 5.761 -5.967 -1.803 1.00 . A A . 14 THR CA 1 1 2 1426 1 1 14 THR CB C 5.842 -7.139 -2.798 1.00 . A A . 14 THR CB 1 1 2 1427 1 1 14 THR CG2 C 4.571 -7.989 -2.890 1.00 . A A . 14 THR CG2 1 1 2 1428 1 1 14 THR H H 4.951 -7.227 -0.280 1.00 . A A . 14 THR H 1 1 2 1429 1 1 14 THR HA H 6.713 -5.439 -1.879 1.00 . A A . 14 THR HA 1 1 2 1430 1 1 14 THR HB H 6.654 -7.789 -2.466 1.00 . A A . 14 THR HB 1 1 2 1431 1 1 14 THR HG1 H 5.440 -6.235 -4.490 1.00 . A A . 14 THR HG1 1 1 2 1432 1 1 14 THR HG21 H 4.299 -8.380 -1.909 1.00 . A A . 14 THR HG21 1 1 2 1433 1 1 14 THR HG22 H 3.741 -7.404 -3.283 1.00 . A A . 14 THR HG22 1 1 2 1434 1 1 14 THR HG23 H 4.755 -8.829 -3.561 1.00 . A A . 14 THR HG23 1 1 2 1435 1 1 14 THR N N 5.587 -6.455 -0.444 1.00 . A A . 14 THR N 1 1 2 1436 1 1 14 THR O O 3.469 -5.288 -1.770 1.00 . A A . 14 THR O 1 1 2 1437 1 1 14 THR OG1 O 6.194 -6.676 -4.086 1.00 . A A . 14 THR OG1 1 1 2 1438 1 1 15 PHE C C 4.266 -2.292 -4.371 1.00 . A A . 15 PHE C 1 1 2 1439 1 1 15 PHE CA C 3.925 -2.822 -2.983 1.00 . A A . 15 PHE CA 1 1 2 1440 1 1 15 PHE CB C 3.733 -1.704 -1.953 1.00 . A A . 15 PHE CB 1 1 2 1441 1 1 15 PHE CD1 C 5.967 -1.197 -0.926 1.00 . A A . 15 PHE CD1 1 1 2 1442 1 1 15 PHE CD2 C 4.921 0.495 -2.342 1.00 . A A . 15 PHE CD2 1 1 2 1443 1 1 15 PHE CE1 C 7.016 -0.315 -0.655 1.00 . A A . 15 PHE CE1 1 1 2 1444 1 1 15 PHE CE2 C 5.967 1.385 -2.052 1.00 . A A . 15 PHE CE2 1 1 2 1445 1 1 15 PHE CG C 4.909 -0.785 -1.752 1.00 . A A . 15 PHE CG 1 1 2 1446 1 1 15 PHE CZ C 6.983 0.993 -1.167 1.00 . A A . 15 PHE CZ 1 1 2 1447 1 1 15 PHE H H 5.906 -3.551 -2.771 1.00 . A A . 15 PHE H 1 1 2 1448 1 1 15 PHE HA H 2.959 -3.325 -3.051 1.00 . A A . 15 PHE HA 1 1 2 1449 1 1 15 PHE HB2 H 2.875 -1.103 -2.254 1.00 . A A . 15 PHE HB2 1 1 2 1450 1 1 15 PHE HB3 H 3.508 -2.149 -0.988 1.00 . A A . 15 PHE HB3 1 1 2 1451 1 1 15 PHE HD1 H 5.966 -2.184 -0.485 1.00 . A A . 15 PHE HD1 1 1 2 1452 1 1 15 PHE HD2 H 4.152 0.783 -3.045 1.00 . A A . 15 PHE HD2 1 1 2 1453 1 1 15 PHE HE1 H 7.797 -0.611 0.027 1.00 . A A . 15 PHE HE1 1 1 2 1454 1 1 15 PHE HE2 H 6.017 2.354 -2.531 1.00 . A A . 15 PHE HE2 1 1 2 1455 1 1 15 PHE HZ H 7.780 1.676 -0.932 1.00 . A A . 15 PHE HZ 1 1 2 1456 1 1 15 PHE N N 4.935 -3.785 -2.574 1.00 . A A . 15 PHE N 1 1 2 1457 1 1 15 PHE O O 5.325 -1.706 -4.604 1.00 . A A . 15 PHE O 1 1 2 1458 1 1 16 ASP C C 3.162 -0.384 -6.385 1.00 . A A . 16 ASP C 1 1 2 1459 1 1 16 ASP CA C 3.288 -1.896 -6.588 1.00 . A A . 16 ASP CA 1 1 2 1460 1 1 16 ASP CB C 2.076 -2.459 -7.334 1.00 . A A . 16 ASP CB 1 1 2 1461 1 1 16 ASP CG C 2.451 -3.665 -8.176 1.00 . A A . 16 ASP CG 1 1 2 1462 1 1 16 ASP H H 2.546 -3.102 -5.043 1.00 . A A . 16 ASP H 1 1 2 1463 1 1 16 ASP HA H 4.198 -2.118 -7.149 1.00 . A A . 16 ASP HA 1 1 2 1464 1 1 16 ASP HB2 H 1.288 -2.749 -6.642 1.00 . A A . 16 ASP HB2 1 1 2 1465 1 1 16 ASP HB3 H 1.686 -1.691 -7.984 1.00 . A A . 16 ASP HB3 1 1 2 1466 1 1 16 ASP N N 3.339 -2.533 -5.293 1.00 . A A . 16 ASP N 1 1 2 1467 1 1 16 ASP O O 2.347 0.061 -5.579 1.00 . A A . 16 ASP O 1 1 2 1468 1 1 16 ASP OD1 O 2.568 -4.754 -7.575 1.00 . A A . 16 ASP OD1 1 1 2 1469 1 1 16 ASP OD2 O 2.616 -3.466 -9.398 1.00 . A A . 16 ASP OD2 1 1 2 1470 1 1 17 HIS C C 3.428 2.458 -8.276 1.00 . A A . 17 HIS C 1 1 2 1471 1 1 17 HIS CA C 4.025 1.845 -7.009 1.00 . A A . 17 HIS CA 1 1 2 1472 1 1 17 HIS CB C 5.489 2.275 -6.788 1.00 . A A . 17 HIS CB 1 1 2 1473 1 1 17 HIS CD2 C 4.856 4.502 -5.678 1.00 . A A . 17 HIS CD2 1 1 2 1474 1 1 17 HIS CE1 C 6.438 5.796 -6.466 1.00 . A A . 17 HIS CE1 1 1 2 1475 1 1 17 HIS CG C 5.661 3.743 -6.486 1.00 . A A . 17 HIS CG 1 1 2 1476 1 1 17 HIS H H 4.591 -0.053 -7.773 1.00 . A A . 17 HIS H 1 1 2 1477 1 1 17 HIS HA H 3.431 2.174 -6.156 1.00 . A A . 17 HIS HA 1 1 2 1478 1 1 17 HIS HB2 H 5.908 1.706 -5.961 1.00 . A A . 17 HIS HB2 1 1 2 1479 1 1 17 HIS HB3 H 6.096 2.038 -7.659 1.00 . A A . 17 HIS HB3 1 1 2 1480 1 1 17 HIS HD1 H 7.428 4.303 -7.561 1.00 . A A . 17 HIS HD1 1 1 2 1481 1 1 17 HIS HD2 H 3.994 4.160 -5.132 1.00 . A A . 17 HIS HD2 1 1 2 1482 1 1 17 HIS HE1 H 7.054 6.659 -6.663 1.00 . A A . 17 HIS HE1 1 1 2 1483 1 1 17 HIS N N 3.967 0.395 -7.110 1.00 . A A . 17 HIS N 1 1 2 1484 1 1 17 HIS ND1 N 6.658 4.566 -6.964 1.00 . A A . 17 HIS ND1 1 1 2 1485 1 1 17 HIS NE2 N 5.348 5.809 -5.684 1.00 . A A . 17 HIS NE2 1 1 2 1486 1 1 17 HIS O O 2.325 2.998 -8.272 1.00 . A A . 17 HIS O 1 1 2 1487 1 1 18 LYS C C 2.482 2.338 -11.168 1.00 . A A . 18 LYS C 1 1 2 1488 1 1 18 LYS CA C 3.825 2.883 -10.688 1.00 . A A . 18 LYS CA 1 1 2 1489 1 1 18 LYS CB C 4.985 2.526 -11.617 1.00 . A A . 18 LYS CB 1 1 2 1490 1 1 18 LYS CD C 4.357 1.106 -13.634 1.00 . A A . 18 LYS CD 1 1 2 1491 1 1 18 LYS CE C 3.319 1.192 -14.757 1.00 . A A . 18 LYS CE 1 1 2 1492 1 1 18 LYS CG C 4.658 2.518 -13.107 1.00 . A A . 18 LYS CG 1 1 2 1493 1 1 18 LYS H H 4.992 1.765 -9.309 1.00 . A A . 18 LYS H 1 1 2 1494 1 1 18 LYS HA H 3.755 3.967 -10.631 1.00 . A A . 18 LYS HA 1 1 2 1495 1 1 18 LYS HB2 H 5.795 3.234 -11.430 1.00 . A A . 18 LYS HB2 1 1 2 1496 1 1 18 LYS HB3 H 5.333 1.535 -11.357 1.00 . A A . 18 LYS HB3 1 1 2 1497 1 1 18 LYS HD2 H 5.287 0.652 -13.987 1.00 . A A . 18 LYS HD2 1 1 2 1498 1 1 18 LYS HD3 H 3.984 0.477 -12.833 1.00 . A A . 18 LYS HD3 1 1 2 1499 1 1 18 LYS HE2 H 2.482 1.804 -14.413 1.00 . A A . 18 LYS HE2 1 1 2 1500 1 1 18 LYS HE3 H 3.749 1.671 -15.638 1.00 . A A . 18 LYS HE3 1 1 2 1501 1 1 18 LYS HG2 H 3.878 3.247 -13.332 1.00 . A A . 18 LYS HG2 1 1 2 1502 1 1 18 LYS HG3 H 5.564 2.826 -13.603 1.00 . A A . 18 LYS HG3 1 1 2 1503 1 1 18 LYS HZ1 H 3.419 -0.690 -15.638 1.00 . A A . 18 LYS HZ1 1 1 2 1504 1 1 18 LYS HZ2 H 2.424 -0.612 -14.311 1.00 . A A . 18 LYS HZ2 1 1 2 1505 1 1 18 LYS HZ3 H 1.941 0.072 -15.705 1.00 . A A . 18 LYS HZ3 1 1 2 1506 1 1 18 LYS N N 4.159 2.333 -9.382 1.00 . A A . 18 LYS N 1 1 2 1507 1 1 18 LYS NZ N 2.762 -0.123 -15.126 1.00 . A A . 18 LYS NZ 1 1 2 1508 1 1 18 LYS O O 1.600 3.071 -11.596 1.00 . A A . 18 LYS O 1 1 2 1509 1 1 19 ALA C C -0.085 0.966 -10.572 1.00 . A A . 19 ALA C 1 1 2 1510 1 1 19 ALA CA C 1.081 0.331 -11.342 1.00 . A A . 19 ALA CA 1 1 2 1511 1 1 19 ALA CB C 1.259 -1.108 -10.908 1.00 . A A . 19 ALA CB 1 1 2 1512 1 1 19 ALA H H 3.190 0.517 -10.900 1.00 . A A . 19 ALA H 1 1 2 1513 1 1 19 ALA HA H 0.852 0.335 -12.405 1.00 . A A . 19 ALA HA 1 1 2 1514 1 1 19 ALA HB1 H 1.969 -1.622 -11.554 1.00 . A A . 19 ALA HB1 1 1 2 1515 1 1 19 ALA HB2 H 1.659 -1.049 -9.905 1.00 . A A . 19 ALA HB2 1 1 2 1516 1 1 19 ALA HB3 H 0.302 -1.627 -10.903 1.00 . A A . 19 ALA HB3 1 1 2 1517 1 1 19 ALA N N 2.340 1.025 -11.102 1.00 . A A . 19 ALA N 1 1 2 1518 1 1 19 ALA O O -1.066 1.393 -11.178 1.00 . A A . 19 ALA O 1 1 2 1519 1 1 20 HIS C C -1.197 3.145 -8.999 1.00 . A A . 20 HIS C 1 1 2 1520 1 1 20 HIS CA C -1.003 1.734 -8.441 1.00 . A A . 20 HIS CA 1 1 2 1521 1 1 20 HIS CB C -0.622 1.772 -6.949 1.00 . A A . 20 HIS CB 1 1 2 1522 1 1 20 HIS CD2 C -1.866 0.447 -5.110 1.00 . A A . 20 HIS CD2 1 1 2 1523 1 1 20 HIS CE1 C -1.166 -1.569 -5.571 1.00 . A A . 20 HIS CE1 1 1 2 1524 1 1 20 HIS CG C -1.008 0.531 -6.179 1.00 . A A . 20 HIS CG 1 1 2 1525 1 1 20 HIS H H 0.872 0.769 -8.789 1.00 . A A . 20 HIS H 1 1 2 1526 1 1 20 HIS HA H -1.953 1.206 -8.543 1.00 . A A . 20 HIS HA 1 1 2 1527 1 1 20 HIS HB2 H 0.448 1.942 -6.836 1.00 . A A . 20 HIS HB2 1 1 2 1528 1 1 20 HIS HB3 H -1.133 2.614 -6.486 1.00 . A A . 20 HIS HB3 1 1 2 1529 1 1 20 HIS HD1 H 0.061 -0.998 -7.188 1.00 . A A . 20 HIS HD1 1 1 2 1530 1 1 20 HIS HD2 H -2.392 1.268 -4.655 1.00 . A A . 20 HIS HD2 1 1 2 1531 1 1 20 HIS HE1 H -1.029 -2.638 -5.560 1.00 . A A . 20 HIS HE1 1 1 2 1532 1 1 20 HIS N N 0.014 1.049 -9.237 1.00 . A A . 20 HIS N 1 1 2 1533 1 1 20 HIS ND1 N -0.579 -0.742 -6.452 1.00 . A A . 20 HIS ND1 1 1 2 1534 1 1 20 HIS NE2 N -1.966 -0.897 -4.728 1.00 . A A . 20 HIS NE2 1 1 2 1535 1 1 20 HIS O O -2.320 3.623 -9.135 1.00 . A A . 20 HIS O 1 1 2 1536 1 1 21 ALA C C -1.025 5.245 -11.145 1.00 . A A . 21 ALA C 1 1 2 1537 1 1 21 ALA CA C -0.158 5.163 -9.882 1.00 . A A . 21 ALA CA 1 1 2 1538 1 1 21 ALA CB C 1.250 5.727 -10.088 1.00 . A A . 21 ALA CB 1 1 2 1539 1 1 21 ALA H H 0.790 3.311 -9.291 1.00 . A A . 21 ALA H 1 1 2 1540 1 1 21 ALA HA H -0.634 5.783 -9.121 1.00 . A A . 21 ALA HA 1 1 2 1541 1 1 21 ALA HB1 H 1.709 5.339 -10.992 1.00 . A A . 21 ALA HB1 1 1 2 1542 1 1 21 ALA HB2 H 1.181 6.807 -10.193 1.00 . A A . 21 ALA HB2 1 1 2 1543 1 1 21 ALA HB3 H 1.879 5.477 -9.232 1.00 . A A . 21 ALA HB3 1 1 2 1544 1 1 21 ALA N N -0.100 3.805 -9.361 1.00 . A A . 21 ALA N 1 1 2 1545 1 1 21 ALA O O -1.940 6.051 -11.205 1.00 . A A . 21 ALA O 1 1 2 1546 1 1 22 GLU C C -2.998 4.027 -13.166 1.00 . A A . 22 GLU C 1 1 2 1547 1 1 22 GLU CA C -1.545 4.442 -13.395 1.00 . A A . 22 GLU CA 1 1 2 1548 1 1 22 GLU CB C -0.889 3.632 -14.531 1.00 . A A . 22 GLU CB 1 1 2 1549 1 1 22 GLU CD C -0.578 1.282 -15.457 1.00 . A A . 22 GLU CD 1 1 2 1550 1 1 22 GLU CG C -0.618 2.156 -14.211 1.00 . A A . 22 GLU CG 1 1 2 1551 1 1 22 GLU H H -0.114 3.681 -11.966 1.00 . A A . 22 GLU H 1 1 2 1552 1 1 22 GLU HA H -1.566 5.480 -13.735 1.00 . A A . 22 GLU HA 1 1 2 1553 1 1 22 GLU HB2 H -1.566 3.675 -15.388 1.00 . A A . 22 GLU HB2 1 1 2 1554 1 1 22 GLU HB3 H 0.049 4.103 -14.822 1.00 . A A . 22 GLU HB3 1 1 2 1555 1 1 22 GLU HG2 H 0.313 2.083 -13.660 1.00 . A A . 22 GLU HG2 1 1 2 1556 1 1 22 GLU HG3 H -1.419 1.744 -13.609 1.00 . A A . 22 GLU HG3 1 1 2 1557 1 1 22 GLU N N -0.790 4.402 -12.145 1.00 . A A . 22 GLU N 1 1 2 1558 1 1 22 GLU O O -3.909 4.646 -13.714 1.00 . A A . 22 GLU O 1 1 2 1559 1 1 22 GLU OE1 O -1.675 0.950 -15.949 1.00 . A A . 22 GLU OE1 1 1 2 1560 1 1 22 GLU OE2 O 0.547 0.922 -15.870 1.00 . A A . 22 GLU OE2 1 1 2 1561 1 1 23 LYS C C -5.405 3.472 -11.380 1.00 . A A . 23 LYS C 1 1 2 1562 1 1 23 LYS CA C -4.565 2.463 -12.162 1.00 . A A . 23 LYS CA 1 1 2 1563 1 1 23 LYS CB C -4.516 1.113 -11.437 1.00 . A A . 23 LYS CB 1 1 2 1564 1 1 23 LYS CD C -4.506 -0.259 -13.610 1.00 . A A . 23 LYS CD 1 1 2 1565 1 1 23 LYS CE C -4.540 -1.761 -13.913 1.00 . A A . 23 LYS CE 1 1 2 1566 1 1 23 LYS CG C -3.841 -0.003 -12.245 1.00 . A A . 23 LYS CG 1 1 2 1567 1 1 23 LYS H H -2.436 2.501 -11.938 1.00 . A A . 23 LYS H 1 1 2 1568 1 1 23 LYS HA H -5.044 2.331 -13.132 1.00 . A A . 23 LYS HA 1 1 2 1569 1 1 23 LYS HB2 H -3.983 1.232 -10.492 1.00 . A A . 23 LYS HB2 1 1 2 1570 1 1 23 LYS HB3 H -5.536 0.801 -11.211 1.00 . A A . 23 LYS HB3 1 1 2 1571 1 1 23 LYS HD2 H -5.522 0.137 -13.630 1.00 . A A . 23 LYS HD2 1 1 2 1572 1 1 23 LYS HD3 H -3.920 0.256 -14.379 1.00 . A A . 23 LYS HD3 1 1 2 1573 1 1 23 LYS HE2 H -4.755 -1.922 -14.971 1.00 . A A . 23 LYS HE2 1 1 2 1574 1 1 23 LYS HE3 H -3.560 -2.189 -13.692 1.00 . A A . 23 LYS HE3 1 1 2 1575 1 1 23 LYS HG2 H -2.794 0.235 -12.418 1.00 . A A . 23 LYS HG2 1 1 2 1576 1 1 23 LYS HG3 H -3.866 -0.897 -11.621 1.00 . A A . 23 LYS HG3 1 1 2 1577 1 1 23 LYS HZ1 H -5.240 -3.349 -12.743 1.00 . A A . 23 LYS HZ1 1 1 2 1578 1 1 23 LYS HZ2 H -5.719 -1.969 -12.206 1.00 . A A . 23 LYS HZ2 1 1 2 1579 1 1 23 LYS HZ3 H -6.453 -2.547 -13.561 1.00 . A A . 23 LYS HZ3 1 1 2 1580 1 1 23 LYS N N -3.223 2.975 -12.373 1.00 . A A . 23 LYS N 1 1 2 1581 1 1 23 LYS NZ N -5.566 -2.445 -13.099 1.00 . A A . 23 LYS NZ 1 1 2 1582 1 1 23 LYS O O -6.590 3.635 -11.660 1.00 . A A . 23 LYS O 1 1 2 1583 1 1 24 LEU C C -5.384 6.449 -9.905 1.00 . A A . 24 LEU C 1 1 2 1584 1 1 24 LEU CA C -5.500 4.994 -9.457 1.00 . A A . 24 LEU CA 1 1 2 1585 1 1 24 LEU CB C -4.954 4.797 -8.041 1.00 . A A . 24 LEU CB 1 1 2 1586 1 1 24 LEU CD1 C -4.237 3.217 -6.253 1.00 . A A . 24 LEU CD1 1 1 2 1587 1 1 24 LEU CD2 C -6.400 2.787 -7.536 1.00 . A A . 24 LEU CD2 1 1 2 1588 1 1 24 LEU CG C -4.967 3.325 -7.594 1.00 . A A . 24 LEU CG 1 1 2 1589 1 1 24 LEU H H -3.822 3.917 -10.186 1.00 . A A . 24 LEU H 1 1 2 1590 1 1 24 LEU HA H -6.562 4.743 -9.438 1.00 . A A . 24 LEU HA 1 1 2 1591 1 1 24 LEU HB2 H -3.935 5.183 -7.985 1.00 . A A . 24 LEU HB2 1 1 2 1592 1 1 24 LEU HB3 H -5.573 5.378 -7.359 1.00 . A A . 24 LEU HB3 1 1 2 1593 1 1 24 LEU HD11 H -3.194 3.496 -6.393 1.00 . A A . 24 LEU HD11 1 1 2 1594 1 1 24 LEU HD12 H -4.665 3.895 -5.521 1.00 . A A . 24 LEU HD12 1 1 2 1595 1 1 24 LEU HD13 H -4.280 2.194 -5.886 1.00 . A A . 24 LEU HD13 1 1 2 1596 1 1 24 LEU HD21 H -6.754 2.579 -8.545 1.00 . A A . 24 LEU HD21 1 1 2 1597 1 1 24 LEU HD22 H -6.416 1.859 -6.969 1.00 . A A . 24 LEU HD22 1 1 2 1598 1 1 24 LEU HD23 H -7.070 3.510 -7.074 1.00 . A A . 24 LEU HD23 1 1 2 1599 1 1 24 LEU HG H -4.422 2.691 -8.290 1.00 . A A . 24 LEU HG 1 1 2 1600 1 1 24 LEU N N -4.801 4.112 -10.376 1.00 . A A . 24 LEU N 1 1 2 1601 1 1 24 LEU O O -6.401 7.112 -10.093 1.00 . A A . 24 LEU O 1 1 2 1602 1 1 25 GLY C C -2.581 8.742 -9.809 1.00 . A A . 25 GLY C 1 1 2 1603 1 1 25 GLY CA C -3.887 8.317 -10.464 1.00 . A A . 25 GLY CA 1 1 2 1604 1 1 25 GLY H H -3.326 6.358 -10.031 1.00 . A A . 25 GLY H 1 1 2 1605 1 1 25 GLY HA2 H -3.776 8.355 -11.547 1.00 . A A . 25 GLY HA2 1 1 2 1606 1 1 25 GLY HA3 H -4.690 8.989 -10.160 1.00 . A A . 25 GLY HA3 1 1 2 1607 1 1 25 GLY N N -4.156 6.949 -10.071 1.00 . A A . 25 GLY N 1 1 2 1608 1 1 25 GLY O O -1.521 8.667 -10.426 1.00 . A A . 25 GLY O 1 1 2 1609 1 1 26 CYS C C -2.074 10.216 -6.426 1.00 . A A . 26 CYS C 1 1 2 1610 1 1 26 CYS CA C -1.538 9.706 -7.762 1.00 . A A . 26 CYS CA 1 1 2 1611 1 1 26 CYS CB C -0.825 10.841 -8.487 1.00 . A A . 26 CYS CB 1 1 2 1612 1 1 26 CYS H H -3.600 9.153 -8.129 1.00 . A A . 26 CYS H 1 1 2 1613 1 1 26 CYS HA H -0.857 8.883 -7.560 1.00 . A A . 26 CYS HA 1 1 2 1614 1 1 26 CYS HB2 H -0.883 10.775 -9.570 1.00 . A A . 26 CYS HB2 1 1 2 1615 1 1 26 CYS HB3 H -1.265 11.801 -8.217 1.00 . A A . 26 CYS HB3 1 1 2 1616 1 1 26 CYS N N -2.662 9.179 -8.550 1.00 . A A . 26 CYS N 1 1 2 1617 1 1 26 CYS O O -1.622 9.829 -5.345 1.00 . A A . 26 CYS O 1 1 2 1618 1 1 26 CYS SG S 0.928 10.889 -8.047 1.00 . A A . 26 CYS SG 1 1 2 1619 1 1 27 ASP C C -4.305 10.528 -4.488 1.00 . A A . 27 ASP C 1 1 2 1620 1 1 27 ASP CA C -4.073 11.533 -5.609 1.00 . A A . 27 ASP CA 1 1 2 1621 1 1 27 ASP CB C -5.387 11.794 -6.373 1.00 . A A . 27 ASP CB 1 1 2 1622 1 1 27 ASP CG C -5.953 10.569 -7.106 1.00 . A A . 27 ASP CG 1 1 2 1623 1 1 27 ASP H H -3.503 10.974 -7.511 1.00 . A A . 27 ASP H 1 1 2 1624 1 1 27 ASP HA H -3.707 12.467 -5.184 1.00 . A A . 27 ASP HA 1 1 2 1625 1 1 27 ASP HB2 H -6.134 12.144 -5.658 1.00 . A A . 27 ASP HB2 1 1 2 1626 1 1 27 ASP HB3 H -5.226 12.583 -7.107 1.00 . A A . 27 ASP HB3 1 1 2 1627 1 1 27 ASP N N -3.112 11.039 -6.580 1.00 . A A . 27 ASP N 1 1 2 1628 1 1 27 ASP O O -4.293 10.875 -3.310 1.00 . A A . 27 ASP O 1 1 2 1629 1 1 27 ASP OD1 O -5.134 9.701 -7.509 1.00 . A A . 27 ASP OD1 1 1 2 1630 1 1 27 ASP OD2 O -7.190 10.517 -7.241 1.00 . A A . 27 ASP OD2 1 1 2 1631 1 1 28 ALA C C -3.789 8.119 -2.816 1.00 . A A . 28 ALA C 1 1 2 1632 1 1 28 ALA CA C -4.690 8.112 -4.052 1.00 . A A . 28 ALA CA 1 1 2 1633 1 1 28 ALA CB C -4.414 6.876 -4.905 1.00 . A A . 28 ALA CB 1 1 2 1634 1 1 28 ALA H H -4.549 9.154 -5.902 1.00 . A A . 28 ALA H 1 1 2 1635 1 1 28 ALA HA H -5.732 8.102 -3.737 1.00 . A A . 28 ALA HA 1 1 2 1636 1 1 28 ALA HB1 H -4.474 5.982 -4.287 1.00 . A A . 28 ALA HB1 1 1 2 1637 1 1 28 ALA HB2 H -5.153 6.830 -5.702 1.00 . A A . 28 ALA HB2 1 1 2 1638 1 1 28 ALA HB3 H -3.418 6.943 -5.344 1.00 . A A . 28 ALA HB3 1 1 2 1639 1 1 28 ALA N N -4.501 9.275 -4.892 1.00 . A A . 28 ALA N 1 1 2 1640 1 1 28 ALA O O -4.238 7.759 -1.730 1.00 . A A . 28 ALA O 1 1 2 1641 1 1 29 CYS C C -0.756 9.713 -1.756 1.00 . A A . 29 CYS C 1 1 2 1642 1 1 29 CYS CA C -1.494 8.390 -1.966 1.00 . A A . 29 CYS CA 1 1 2 1643 1 1 29 CYS CB C -0.522 7.302 -2.325 1.00 . A A . 29 CYS CB 1 1 2 1644 1 1 29 CYS H H -2.246 8.783 -3.934 1.00 . A A . 29 CYS H 1 1 2 1645 1 1 29 CYS HA H -1.947 8.124 -1.009 1.00 . A A . 29 CYS HA 1 1 2 1646 1 1 29 CYS HB2 H 0.020 7.615 -3.217 1.00 . A A . 29 CYS HB2 1 1 2 1647 1 1 29 CYS HB3 H 0.189 7.165 -1.509 1.00 . A A . 29 CYS HB3 1 1 2 1648 1 1 29 CYS N N -2.518 8.483 -3.002 1.00 . A A . 29 CYS N 1 1 2 1649 1 1 29 CYS O O -0.336 10.000 -0.636 1.00 . A A . 29 CYS O 1 1 2 1650 1 1 29 CYS SG S -1.387 5.728 -2.643 1.00 . A A . 29 CYS SG 1 1 2 1651 1 1 30 HIS C C -0.624 12.888 -3.254 1.00 . A A . 30 HIS C 1 1 2 1652 1 1 30 HIS CA C 0.234 11.725 -2.767 1.00 . A A . 30 HIS CA 1 1 2 1653 1 1 30 HIS CB C 1.458 11.599 -3.674 1.00 . A A . 30 HIS CB 1 1 2 1654 1 1 30 HIS CD2 C 2.587 9.388 -4.122 1.00 . A A . 30 HIS CD2 1 1 2 1655 1 1 30 HIS CE1 C 4.280 9.474 -2.751 1.00 . A A . 30 HIS CE1 1 1 2 1656 1 1 30 HIS CG C 2.409 10.481 -3.331 1.00 . A A . 30 HIS CG 1 1 2 1657 1 1 30 HIS H H -0.977 10.272 -3.710 1.00 . A A . 30 HIS H 1 1 2 1658 1 1 30 HIS HA H 0.592 11.933 -1.757 1.00 . A A . 30 HIS HA 1 1 2 1659 1 1 30 HIS HB2 H 1.097 11.444 -4.694 1.00 . A A . 30 HIS HB2 1 1 2 1660 1 1 30 HIS HB3 H 1.982 12.552 -3.674 1.00 . A A . 30 HIS HB3 1 1 2 1661 1 1 30 HIS HD1 H 3.713 11.248 -1.796 1.00 . A A . 30 HIS HD1 1 1 2 1662 1 1 30 HIS HD2 H 1.995 9.109 -4.971 1.00 . A A . 30 HIS HD2 1 1 2 1663 1 1 30 HIS HE1 H 5.242 9.251 -2.319 1.00 . A A . 30 HIS HE1 1 1 2 1664 1 1 30 HIS N N -0.552 10.503 -2.816 1.00 . A A . 30 HIS N 1 1 2 1665 1 1 30 HIS ND1 N 3.483 10.521 -2.462 1.00 . A A . 30 HIS ND1 1 1 2 1666 1 1 30 HIS NE2 N 3.776 8.768 -3.767 1.00 . A A . 30 HIS NE2 1 1 2 1667 1 1 30 HIS O O -1.036 12.896 -4.411 1.00 . A A . 30 HIS O 1 1 2 1668 1 1 31 GLU C C -0.528 16.104 -3.364 1.00 . A A . 31 GLU C 1 1 2 1669 1 1 31 GLU CA C -1.528 15.112 -2.756 1.00 . A A . 31 GLU CA 1 1 2 1670 1 1 31 GLU CB C -2.254 15.681 -1.524 1.00 . A A . 31 GLU CB 1 1 2 1671 1 1 31 GLU CD C -4.075 15.362 0.156 1.00 . A A . 31 GLU CD 1 1 2 1672 1 1 31 GLU CG C -3.346 14.742 -1.028 1.00 . A A . 31 GLU CG 1 1 2 1673 1 1 31 GLU H H -0.494 13.790 -1.448 1.00 . A A . 31 GLU H 1 1 2 1674 1 1 31 GLU HA H -2.283 14.901 -3.516 1.00 . A A . 31 GLU HA 1 1 2 1675 1 1 31 GLU HB2 H -1.562 15.843 -0.696 1.00 . A A . 31 GLU HB2 1 1 2 1676 1 1 31 GLU HB3 H -2.747 16.620 -1.784 1.00 . A A . 31 GLU HB3 1 1 2 1677 1 1 31 GLU HG2 H -4.050 14.566 -1.839 1.00 . A A . 31 GLU HG2 1 1 2 1678 1 1 31 GLU HG3 H -2.906 13.797 -0.717 1.00 . A A . 31 GLU HG3 1 1 2 1679 1 1 31 GLU N N -0.841 13.883 -2.391 1.00 . A A . 31 GLU N 1 1 2 1680 1 1 31 GLU O O 0.033 15.868 -4.432 1.00 . A A . 31 GLU O 1 1 2 1681 1 1 31 GLU OE1 O -3.497 15.306 1.262 1.00 . A A . 31 GLU OE1 1 1 2 1682 1 1 31 GLU OE2 O -5.165 15.923 -0.079 1.00 . A A . 31 GLU OE2 1 1 2 1683 1 1 32 GLY C C 1.793 18.085 -3.753 1.00 . A A . 32 GLY C 1 1 2 1684 1 1 32 GLY CA C 0.405 18.390 -3.184 1.00 . A A . 32 GLY CA 1 1 2 1685 1 1 32 GLY H H -0.814 17.323 -1.806 1.00 . A A . 32 GLY H 1 1 2 1686 1 1 32 GLY HA2 H -0.200 18.852 -3.965 1.00 . A A . 32 GLY HA2 1 1 2 1687 1 1 32 GLY HA3 H 0.520 19.106 -2.370 1.00 . A A . 32 GLY HA3 1 1 2 1688 1 1 32 GLY N N -0.307 17.226 -2.673 1.00 . A A . 32 GLY N 1 1 2 1689 1 1 32 GLY O O 2.202 18.682 -4.749 1.00 . A A . 32 GLY O 1 1 2 1690 1 1 33 THR C C 4.207 15.470 -2.937 1.00 . A A . 33 THR C 1 1 2 1691 1 1 33 THR CA C 3.916 16.861 -3.503 1.00 . A A . 33 THR CA 1 1 2 1692 1 1 33 THR CB C 4.893 17.914 -2.945 1.00 . A A . 33 THR CB 1 1 2 1693 1 1 33 THR CG2 C 6.345 17.637 -3.339 1.00 . A A . 33 THR CG2 1 1 2 1694 1 1 33 THR H H 2.187 16.730 -2.292 1.00 . A A . 33 THR H 1 1 2 1695 1 1 33 THR HA H 3.972 16.854 -4.590 1.00 . A A . 33 THR HA 1 1 2 1696 1 1 33 THR HB H 4.824 17.919 -1.856 1.00 . A A . 33 THR HB 1 1 2 1697 1 1 33 THR HG1 H 3.891 19.125 -4.112 1.00 . A A . 33 THR HG1 1 1 2 1698 1 1 33 THR HG21 H 6.452 17.663 -4.423 1.00 . A A . 33 THR HG21 1 1 2 1699 1 1 33 THR HG22 H 6.983 18.409 -2.904 1.00 . A A . 33 THR HG22 1 1 2 1700 1 1 33 THR HG23 H 6.667 16.669 -2.960 1.00 . A A . 33 THR HG23 1 1 2 1701 1 1 33 THR N N 2.559 17.209 -3.102 1.00 . A A . 33 THR N 1 1 2 1702 1 1 33 THR O O 3.820 15.214 -1.797 1.00 . A A . 33 THR O 1 1 2 1703 1 1 33 THR OG1 O 4.561 19.204 -3.420 1.00 . A A . 33 THR OG1 1 1 2 1704 1 1 34 PRO C C 6.036 12.991 -2.178 1.00 . A A . 34 PRO C 1 1 2 1705 1 1 34 PRO CA C 4.969 13.176 -3.257 1.00 . A A . 34 PRO CA 1 1 2 1706 1 1 34 PRO CB C 5.241 12.340 -4.504 1.00 . A A . 34 PRO CB 1 1 2 1707 1 1 34 PRO CD C 5.183 14.670 -5.103 1.00 . A A . 34 PRO CD 1 1 2 1708 1 1 34 PRO CG C 5.846 13.343 -5.476 1.00 . A A . 34 PRO CG 1 1 2 1709 1 1 34 PRO HA H 4.011 12.887 -2.858 1.00 . A A . 34 PRO HA 1 1 2 1710 1 1 34 PRO HB2 H 5.906 11.503 -4.295 1.00 . A A . 34 PRO HB2 1 1 2 1711 1 1 34 PRO HB3 H 4.301 11.970 -4.915 1.00 . A A . 34 PRO HB3 1 1 2 1712 1 1 34 PRO HD2 H 5.862 15.500 -5.294 1.00 . A A . 34 PRO HD2 1 1 2 1713 1 1 34 PRO HD3 H 4.270 14.789 -5.689 1.00 . A A . 34 PRO HD3 1 1 2 1714 1 1 34 PRO HG2 H 6.916 13.398 -5.298 1.00 . A A . 34 PRO HG2 1 1 2 1715 1 1 34 PRO HG3 H 5.642 13.056 -6.506 1.00 . A A . 34 PRO HG3 1 1 2 1716 1 1 34 PRO N N 4.832 14.551 -3.697 1.00 . A A . 34 PRO N 1 1 2 1717 1 1 34 PRO O O 5.735 12.447 -1.119 1.00 . A A . 34 PRO O 1 1 2 1718 1 1 35 ALA C C 8.601 12.384 -0.585 1.00 . A A . 35 ALA C 1 1 2 1719 1 1 35 ALA CA C 8.429 13.525 -1.600 1.00 . A A . 35 ALA CA 1 1 2 1720 1 1 35 ALA CB C 8.407 14.892 -0.904 1.00 . A A . 35 ALA CB 1 1 2 1721 1 1 35 ALA H H 7.379 13.834 -3.394 1.00 . A A . 35 ALA H 1 1 2 1722 1 1 35 ALA HA H 9.313 13.505 -2.238 1.00 . A A . 35 ALA HA 1 1 2 1723 1 1 35 ALA HB1 H 8.350 15.689 -1.645 1.00 . A A . 35 ALA HB1 1 1 2 1724 1 1 35 ALA HB2 H 7.545 14.956 -0.238 1.00 . A A . 35 ALA HB2 1 1 2 1725 1 1 35 ALA HB3 H 9.318 15.033 -0.321 1.00 . A A . 35 ALA HB3 1 1 2 1726 1 1 35 ALA N N 7.266 13.426 -2.481 1.00 . A A . 35 ALA N 1 1 2 1727 1 1 35 ALA O O 8.982 12.661 0.549 1.00 . A A . 35 ALA O 1 1 2 1728 1 1 36 LYS C C 7.738 9.852 1.055 1.00 . A A . 36 LYS C 1 1 2 1729 1 1 36 LYS CA C 8.622 9.930 -0.199 1.00 . A A . 36 LYS CA 1 1 2 1730 1 1 36 LYS CB C 10.120 9.804 0.096 1.00 . A A . 36 LYS CB 1 1 2 1731 1 1 36 LYS CD C 10.360 7.465 1.175 1.00 . A A . 36 LYS CD 1 1 2 1732 1 1 36 LYS CE C 11.141 7.887 2.418 1.00 . A A . 36 LYS CE 1 1 2 1733 1 1 36 LYS CG C 10.628 8.367 -0.031 1.00 . A A . 36 LYS CG 1 1 2 1734 1 1 36 LYS H H 8.349 10.935 -1.989 1.00 . A A . 36 LYS H 1 1 2 1735 1 1 36 LYS HA H 8.313 9.116 -0.851 1.00 . A A . 36 LYS HA 1 1 2 1736 1 1 36 LYS HB2 H 10.668 10.367 -0.661 1.00 . A A . 36 LYS HB2 1 1 2 1737 1 1 36 LYS HB3 H 10.359 10.254 1.058 1.00 . A A . 36 LYS HB3 1 1 2 1738 1 1 36 LYS HD2 H 9.296 7.461 1.388 1.00 . A A . 36 LYS HD2 1 1 2 1739 1 1 36 LYS HD3 H 10.652 6.450 0.891 1.00 . A A . 36 LYS HD3 1 1 2 1740 1 1 36 LYS HE2 H 12.196 7.762 2.196 1.00 . A A . 36 LYS HE2 1 1 2 1741 1 1 36 LYS HE3 H 10.951 8.932 2.659 1.00 . A A . 36 LYS HE3 1 1 2 1742 1 1 36 LYS HG2 H 10.168 7.889 -0.891 1.00 . A A . 36 LYS HG2 1 1 2 1743 1 1 36 LYS HG3 H 11.685 8.436 -0.256 1.00 . A A . 36 LYS HG3 1 1 2 1744 1 1 36 LYS HZ1 H 11.319 7.325 4.388 1.00 . A A . 36 LYS HZ1 1 1 2 1745 1 1 36 LYS HZ2 H 9.780 7.317 3.796 1.00 . A A . 36 LYS HZ2 1 1 2 1746 1 1 36 LYS HZ3 H 10.827 6.095 3.389 1.00 . A A . 36 LYS HZ3 1 1 2 1747 1 1 36 LYS N N 8.425 11.122 -1.005 1.00 . A A . 36 LYS N 1 1 2 1748 1 1 36 LYS NZ N 10.750 7.083 3.590 1.00 . A A . 36 LYS NZ 1 1 2 1749 1 1 36 LYS O O 7.743 10.737 1.905 1.00 . A A . 36 LYS O 1 1 2 1750 1 1 37 ILE C C 7.144 7.813 3.422 1.00 . A A . 37 ILE C 1 1 2 1751 1 1 37 ILE CA C 6.222 8.523 2.422 1.00 . A A . 37 ILE CA 1 1 2 1752 1 1 37 ILE CB C 4.896 7.771 2.132 1.00 . A A . 37 ILE CB 1 1 2 1753 1 1 37 ILE CD1 C 3.660 9.633 0.837 1.00 . A A . 37 ILE CD1 1 1 2 1754 1 1 37 ILE CG1 C 4.203 8.202 0.843 1.00 . A A . 37 ILE CG1 1 1 2 1755 1 1 37 ILE CG2 C 3.881 7.904 3.291 1.00 . A A . 37 ILE CG2 1 1 2 1756 1 1 37 ILE H H 7.087 7.987 0.552 1.00 . A A . 37 ILE H 1 1 2 1757 1 1 37 ILE HA H 5.940 9.481 2.861 1.00 . A A . 37 ILE HA 1 1 2 1758 1 1 37 ILE HB H 5.096 6.719 1.931 1.00 . A A . 37 ILE HB 1 1 2 1759 1 1 37 ILE HD11 H 2.991 9.808 1.679 1.00 . A A . 37 ILE HD11 1 1 2 1760 1 1 37 ILE HD12 H 4.479 10.352 0.860 1.00 . A A . 37 ILE HD12 1 1 2 1761 1 1 37 ILE HD13 H 3.074 9.771 -0.068 1.00 . A A . 37 ILE HD13 1 1 2 1762 1 1 37 ILE HG12 H 4.884 8.056 0.011 1.00 . A A . 37 ILE HG12 1 1 2 1763 1 1 37 ILE HG13 H 3.379 7.506 0.715 1.00 . A A . 37 ILE HG13 1 1 2 1764 1 1 37 ILE HG21 H 2.915 7.505 2.981 1.00 . A A . 37 ILE HG21 1 1 2 1765 1 1 37 ILE HG22 H 4.177 7.371 4.190 1.00 . A A . 37 ILE HG22 1 1 2 1766 1 1 37 ILE HG23 H 3.753 8.951 3.565 1.00 . A A . 37 ILE HG23 1 1 2 1767 1 1 37 ILE N N 6.995 8.749 1.209 1.00 . A A . 37 ILE N 1 1 2 1768 1 1 37 ILE O O 8.310 8.171 3.597 1.00 . A A . 37 ILE O 1 1 2 1769 1 1 38 ALA C C 6.040 5.234 5.790 1.00 . A A . 38 ALA C 1 1 2 1770 1 1 38 ALA CA C 7.162 6.111 5.243 1.00 . A A . 38 ALA CA 1 1 2 1771 1 1 38 ALA CB C 7.566 7.150 6.297 1.00 . A A . 38 ALA CB 1 1 2 1772 1 1 38 ALA H H 5.729 6.472 3.728 1.00 . A A . 38 ALA H 1 1 2 1773 1 1 38 ALA HA H 8.018 5.485 4.988 1.00 . A A . 38 ALA HA 1 1 2 1774 1 1 38 ALA HB1 H 7.820 6.647 7.231 1.00 . A A . 38 ALA HB1 1 1 2 1775 1 1 38 ALA HB2 H 8.430 7.729 5.983 1.00 . A A . 38 ALA HB2 1 1 2 1776 1 1 38 ALA HB3 H 6.721 7.818 6.469 1.00 . A A . 38 ALA HB3 1 1 2 1777 1 1 38 ALA N N 6.637 6.762 4.051 1.00 . A A . 38 ALA N 1 1 2 1778 1 1 38 ALA O O 5.673 5.336 6.957 1.00 . A A . 38 ALA O 1 1 2 1779 1 1 39 ILE C C 4.956 2.531 6.327 1.00 . A A . 39 ILE C 1 1 2 1780 1 1 39 ILE CA C 4.380 3.530 5.340 1.00 . A A . 39 ILE CA 1 1 2 1781 1 1 39 ILE CB C 3.770 2.843 4.123 1.00 . A A . 39 ILE CB 1 1 2 1782 1 1 39 ILE CD1 C 1.887 4.600 3.798 1.00 . A A . 39 ILE CD1 1 1 2 1783 1 1 39 ILE CG1 C 3.102 3.878 3.209 1.00 . A A . 39 ILE CG1 1 1 2 1784 1 1 39 ILE CG2 C 2.809 1.709 4.505 1.00 . A A . 39 ILE CG2 1 1 2 1785 1 1 39 ILE H H 5.790 4.331 3.976 1.00 . A A . 39 ILE H 1 1 2 1786 1 1 39 ILE HA H 3.608 4.114 5.841 1.00 . A A . 39 ILE HA 1 1 2 1787 1 1 39 ILE HB H 4.587 2.396 3.564 1.00 . A A . 39 ILE HB 1 1 2 1788 1 1 39 ILE HD11 H 1.161 3.880 4.173 1.00 . A A . 39 ILE HD11 1 1 2 1789 1 1 39 ILE HD12 H 2.186 5.272 4.601 1.00 . A A . 39 ILE HD12 1 1 2 1790 1 1 39 ILE HD13 H 1.417 5.191 3.012 1.00 . A A . 39 ILE HD13 1 1 2 1791 1 1 39 ILE HG12 H 3.834 4.626 2.910 1.00 . A A . 39 ILE HG12 1 1 2 1792 1 1 39 ILE HG13 H 2.783 3.344 2.325 1.00 . A A . 39 ILE HG13 1 1 2 1793 1 1 39 ILE HG21 H 2.326 1.318 3.611 1.00 . A A . 39 ILE HG21 1 1 2 1794 1 1 39 ILE HG22 H 3.365 0.891 4.962 1.00 . A A . 39 ILE HG22 1 1 2 1795 1 1 39 ILE HG23 H 2.053 2.058 5.206 1.00 . A A . 39 ILE HG23 1 1 2 1796 1 1 39 ILE N N 5.447 4.416 4.921 1.00 . A A . 39 ILE N 1 1 2 1797 1 1 39 ILE O O 5.834 1.746 5.977 1.00 . A A . 39 ILE O 1 1 2 1798 1 1 40 ASP C C 3.588 0.856 8.988 1.00 . A A . 40 ASP C 1 1 2 1799 1 1 40 ASP CA C 4.788 1.707 8.640 1.00 . A A . 40 ASP CA 1 1 2 1800 1 1 40 ASP CB C 5.230 2.482 9.889 1.00 . A A . 40 ASP CB 1 1 2 1801 1 1 40 ASP CG C 4.179 3.416 10.490 1.00 . A A . 40 ASP CG 1 1 2 1802 1 1 40 ASP H H 3.706 3.260 7.725 1.00 . A A . 40 ASP H 1 1 2 1803 1 1 40 ASP HA H 5.611 1.055 8.341 1.00 . A A . 40 ASP HA 1 1 2 1804 1 1 40 ASP HB2 H 5.510 1.769 10.662 1.00 . A A . 40 ASP HB2 1 1 2 1805 1 1 40 ASP HB3 H 6.130 3.014 9.628 1.00 . A A . 40 ASP HB3 1 1 2 1806 1 1 40 ASP N N 4.448 2.597 7.552 1.00 . A A . 40 ASP N 1 1 2 1807 1 1 40 ASP O O 2.452 1.159 8.623 1.00 . A A . 40 ASP O 1 1 2 1808 1 1 40 ASP OD1 O 3.160 3.717 9.827 1.00 . A A . 40 ASP OD1 1 1 2 1809 1 1 40 ASP OD2 O 4.369 3.810 11.663 1.00 . A A . 40 ASP OD2 1 1 2 1810 1 1 41 LYS C C 1.691 -0.338 10.884 1.00 . A A . 41 LYS C 1 1 2 1811 1 1 41 LYS CA C 2.952 -1.070 10.429 1.00 . A A . 41 LYS CA 1 1 2 1812 1 1 41 LYS CB C 3.720 -1.778 11.552 1.00 . A A . 41 LYS CB 1 1 2 1813 1 1 41 LYS CD C 5.950 -1.428 12.714 1.00 . A A . 41 LYS CD 1 1 2 1814 1 1 41 LYS CE C 5.933 -2.676 13.607 1.00 . A A . 41 LYS CE 1 1 2 1815 1 1 41 LYS CG C 4.536 -0.869 12.496 1.00 . A A . 41 LYS CG 1 1 2 1816 1 1 41 LYS H H 4.876 -0.420 9.771 1.00 . A A . 41 LYS H 1 1 2 1817 1 1 41 LYS HA H 2.615 -1.837 9.735 1.00 . A A . 41 LYS HA 1 1 2 1818 1 1 41 LYS HB2 H 3.030 -2.389 12.122 1.00 . A A . 41 LYS HB2 1 1 2 1819 1 1 41 LYS HB3 H 4.411 -2.445 11.043 1.00 . A A . 41 LYS HB3 1 1 2 1820 1 1 41 LYS HD2 H 6.392 -1.652 11.737 1.00 . A A . 41 LYS HD2 1 1 2 1821 1 1 41 LYS HD3 H 6.562 -0.658 13.188 1.00 . A A . 41 LYS HD3 1 1 2 1822 1 1 41 LYS HE2 H 5.757 -2.370 14.640 1.00 . A A . 41 LYS HE2 1 1 2 1823 1 1 41 LYS HE3 H 5.121 -3.336 13.304 1.00 . A A . 41 LYS HE3 1 1 2 1824 1 1 41 LYS HG2 H 4.664 0.125 12.072 1.00 . A A . 41 LYS HG2 1 1 2 1825 1 1 41 LYS HG3 H 4.015 -0.757 13.447 1.00 . A A . 41 LYS HG3 1 1 2 1826 1 1 41 LYS HZ1 H 7.209 -4.187 14.199 1.00 . A A . 41 LYS HZ1 1 1 2 1827 1 1 41 LYS HZ2 H 7.265 -3.938 12.634 1.00 . A A . 41 LYS HZ2 1 1 2 1828 1 1 41 LYS HZ3 H 8.011 -2.857 13.641 1.00 . A A . 41 LYS HZ3 1 1 2 1829 1 1 41 LYS N N 3.882 -0.182 9.758 1.00 . A A . 41 LYS N 1 1 2 1830 1 1 41 LYS NZ N 7.196 -3.436 13.526 1.00 . A A . 41 LYS NZ 1 1 2 1831 1 1 41 LYS O O 0.578 -0.729 10.535 1.00 . A A . 41 LYS O 1 1 2 1832 1 1 42 LYS C C -0.017 2.107 10.899 1.00 . A A . 42 LYS C 1 1 2 1833 1 1 42 LYS CA C 0.826 1.618 12.081 1.00 . A A . 42 LYS CA 1 1 2 1834 1 1 42 LYS CB C 1.495 2.756 12.855 1.00 . A A . 42 LYS CB 1 1 2 1835 1 1 42 LYS CD C 1.164 4.663 14.495 1.00 . A A . 42 LYS CD 1 1 2 1836 1 1 42 LYS CE C 1.905 5.794 13.753 1.00 . A A . 42 LYS CE 1 1 2 1837 1 1 42 LYS CG C 0.487 3.627 13.583 1.00 . A A . 42 LYS CG 1 1 2 1838 1 1 42 LYS H H 2.817 1.058 11.824 1.00 . A A . 42 LYS H 1 1 2 1839 1 1 42 LYS HA H 0.190 1.045 12.758 1.00 . A A . 42 LYS HA 1 1 2 1840 1 1 42 LYS HB2 H 2.191 2.338 13.583 1.00 . A A . 42 LYS HB2 1 1 2 1841 1 1 42 LYS HB3 H 2.033 3.372 12.149 1.00 . A A . 42 LYS HB3 1 1 2 1842 1 1 42 LYS HD2 H 0.365 5.126 15.081 1.00 . A A . 42 LYS HD2 1 1 2 1843 1 1 42 LYS HD3 H 1.829 4.161 15.202 1.00 . A A . 42 LYS HD3 1 1 2 1844 1 1 42 LYS HE2 H 1.311 6.135 12.905 1.00 . A A . 42 LYS HE2 1 1 2 1845 1 1 42 LYS HE3 H 2.006 6.629 14.451 1.00 . A A . 42 LYS HE3 1 1 2 1846 1 1 42 LYS HG2 H -0.150 4.115 12.849 1.00 . A A . 42 LYS HG2 1 1 2 1847 1 1 42 LYS HG3 H -0.118 2.955 14.191 1.00 . A A . 42 LYS HG3 1 1 2 1848 1 1 42 LYS HZ1 H 3.311 4.723 12.570 1.00 . A A . 42 LYS HZ1 1 1 2 1849 1 1 42 LYS HZ2 H 3.731 6.243 12.899 1.00 . A A . 42 LYS HZ2 1 1 2 1850 1 1 42 LYS HZ3 H 3.841 5.093 14.054 1.00 . A A . 42 LYS HZ3 1 1 2 1851 1 1 42 LYS N N 1.881 0.752 11.627 1.00 . A A . 42 LYS N 1 1 2 1852 1 1 42 LYS NZ N 3.272 5.439 13.299 1.00 . A A . 42 LYS NZ 1 1 2 1853 1 1 42 LYS O O -1.178 1.728 10.785 1.00 . A A . 42 LYS O 1 1 2 1854 1 1 43 SER C C -0.908 2.549 8.085 1.00 . A A . 43 SER C 1 1 2 1855 1 1 43 SER CA C -0.243 3.600 8.972 1.00 . A A . 43 SER CA 1 1 2 1856 1 1 43 SER CB C 0.658 4.529 8.155 1.00 . A A . 43 SER CB 1 1 2 1857 1 1 43 SER H H 1.530 3.173 10.077 1.00 . A A . 43 SER H 1 1 2 1858 1 1 43 SER HA H -1.019 4.211 9.433 1.00 . A A . 43 SER HA 1 1 2 1859 1 1 43 SER HB2 H 1.402 3.951 7.606 1.00 . A A . 43 SER HB2 1 1 2 1860 1 1 43 SER HB3 H 0.046 5.084 7.444 1.00 . A A . 43 SER HB3 1 1 2 1861 1 1 43 SER HG H 2.093 4.944 9.391 1.00 . A A . 43 SER HG 1 1 2 1862 1 1 43 SER N N 0.530 2.965 10.032 1.00 . A A . 43 SER N 1 1 2 1863 1 1 43 SER O O -2.124 2.569 7.896 1.00 . A A . 43 SER O 1 1 2 1864 1 1 43 SER OG O 1.324 5.421 9.028 1.00 . A A . 43 SER OG 1 1 2 1865 1 1 44 ALA C C -1.756 -0.189 7.268 1.00 . A A . 44 ALA C 1 1 2 1866 1 1 44 ALA CA C -0.454 0.453 6.808 1.00 . A A . 44 ALA CA 1 1 2 1867 1 1 44 ALA CB C 0.669 -0.565 6.935 1.00 . A A . 44 ALA CB 1 1 2 1868 1 1 44 ALA H H 0.883 1.670 7.879 1.00 . A A . 44 ALA H 1 1 2 1869 1 1 44 ALA HA H -0.533 0.712 5.755 1.00 . A A . 44 ALA HA 1 1 2 1870 1 1 44 ALA HB1 H 0.883 -0.796 7.976 1.00 . A A . 44 ALA HB1 1 1 2 1871 1 1 44 ALA HB2 H 0.328 -1.469 6.444 1.00 . A A . 44 ALA HB2 1 1 2 1872 1 1 44 ALA HB3 H 1.574 -0.172 6.472 1.00 . A A . 44 ALA HB3 1 1 2 1873 1 1 44 ALA N N -0.089 1.619 7.591 1.00 . A A . 44 ALA N 1 1 2 1874 1 1 44 ALA O O -2.712 -0.289 6.491 1.00 . A A . 44 ALA O 1 1 2 1875 1 1 45 HIS C C -3.948 -0.440 9.630 1.00 . A A . 45 HIS C 1 1 2 1876 1 1 45 HIS CA C -2.872 -1.382 9.090 1.00 . A A . 45 HIS CA 1 1 2 1877 1 1 45 HIS CB C -2.387 -2.383 10.149 1.00 . A A . 45 HIS CB 1 1 2 1878 1 1 45 HIS CD2 C -0.819 -4.049 8.936 1.00 . A A . 45 HIS CD2 1 1 2 1879 1 1 45 HIS CE1 C -2.147 -5.788 8.862 1.00 . A A . 45 HIS CE1 1 1 2 1880 1 1 45 HIS CG C -1.997 -3.716 9.555 1.00 . A A . 45 HIS CG 1 1 2 1881 1 1 45 HIS H H -0.933 -0.510 9.103 1.00 . A A . 45 HIS H 1 1 2 1882 1 1 45 HIS HA H -3.338 -1.971 8.304 1.00 . A A . 45 HIS HA 1 1 2 1883 1 1 45 HIS HB2 H -1.564 -1.970 10.728 1.00 . A A . 45 HIS HB2 1 1 2 1884 1 1 45 HIS HB3 H -3.204 -2.577 10.844 1.00 . A A . 45 HIS HB3 1 1 2 1885 1 1 45 HIS HD1 H -3.730 -4.905 9.919 1.00 . A A . 45 HIS HD1 1 1 2 1886 1 1 45 HIS HD2 H 0.040 -3.408 8.818 1.00 . A A . 45 HIS HD2 1 1 2 1887 1 1 45 HIS HE1 H -2.539 -6.774 8.688 1.00 . A A . 45 HIS HE1 1 1 2 1888 1 1 45 HIS N N -1.753 -0.657 8.519 1.00 . A A . 45 HIS N 1 1 2 1889 1 1 45 HIS ND1 N -2.814 -4.820 9.506 1.00 . A A . 45 HIS ND1 1 1 2 1890 1 1 45 HIS NE2 N -0.922 -5.379 8.501 1.00 . A A . 45 HIS NE2 1 1 2 1891 1 1 45 HIS O O -5.062 -0.902 9.879 1.00 . A A . 45 HIS O 1 1 2 1892 1 1 46 LYS C C -5.475 2.223 9.085 1.00 . A A . 46 LYS C 1 1 2 1893 1 1 46 LYS CA C -4.610 1.835 10.279 1.00 . A A . 46 LYS CA 1 1 2 1894 1 1 46 LYS CB C -3.837 2.995 10.942 1.00 . A A . 46 LYS CB 1 1 2 1895 1 1 46 LYS CD C -5.044 5.200 10.426 1.00 . A A . 46 LYS CD 1 1 2 1896 1 1 46 LYS CE C -4.802 6.659 10.831 1.00 . A A . 46 LYS CE 1 1 2 1897 1 1 46 LYS CG C -4.648 4.174 11.501 1.00 . A A . 46 LYS CG 1 1 2 1898 1 1 46 LYS H H -2.750 1.204 9.476 1.00 . A A . 46 LYS H 1 1 2 1899 1 1 46 LYS HA H -5.251 1.383 11.037 1.00 . A A . 46 LYS HA 1 1 2 1900 1 1 46 LYS HB2 H -3.321 2.558 11.798 1.00 . A A . 46 LYS HB2 1 1 2 1901 1 1 46 LYS HB3 H -3.079 3.383 10.263 1.00 . A A . 46 LYS HB3 1 1 2 1902 1 1 46 LYS HD2 H -4.493 5.028 9.505 1.00 . A A . 46 LYS HD2 1 1 2 1903 1 1 46 LYS HD3 H -6.108 5.065 10.217 1.00 . A A . 46 LYS HD3 1 1 2 1904 1 1 46 LYS HE2 H -5.402 7.297 10.176 1.00 . A A . 46 LYS HE2 1 1 2 1905 1 1 46 LYS HE3 H -5.132 6.823 11.859 1.00 . A A . 46 LYS HE3 1 1 2 1906 1 1 46 LYS HG2 H -5.544 3.796 11.999 1.00 . A A . 46 LYS HG2 1 1 2 1907 1 1 46 LYS HG3 H -4.031 4.659 12.258 1.00 . A A . 46 LYS HG3 1 1 2 1908 1 1 46 LYS HZ1 H -2.792 6.450 11.232 1.00 . A A . 46 LYS HZ1 1 1 2 1909 1 1 46 LYS HZ2 H -3.113 6.948 9.697 1.00 . A A . 46 LYS HZ2 1 1 2 1910 1 1 46 LYS HZ3 H -3.251 8.006 10.945 1.00 . A A . 46 LYS HZ3 1 1 2 1911 1 1 46 LYS N N -3.652 0.854 9.791 1.00 . A A . 46 LYS N 1 1 2 1912 1 1 46 LYS NZ N -3.383 7.043 10.668 1.00 . A A . 46 LYS NZ 1 1 2 1913 1 1 46 LYS O O -6.607 1.762 8.965 1.00 . A A . 46 LYS O 1 1 2 1914 1 1 47 ASP C C -4.374 3.887 6.021 1.00 . A A . 47 ASP C 1 1 2 1915 1 1 47 ASP CA C -5.505 3.491 6.960 1.00 . A A . 47 ASP CA 1 1 2 1916 1 1 47 ASP CB C -6.440 4.693 7.197 1.00 . A A . 47 ASP CB 1 1 2 1917 1 1 47 ASP CG C -7.823 4.316 7.712 1.00 . A A . 47 ASP CG 1 1 2 1918 1 1 47 ASP H H -3.893 3.165 8.264 1.00 . A A . 47 ASP H 1 1 2 1919 1 1 47 ASP HA H -6.070 2.681 6.507 1.00 . A A . 47 ASP HA 1 1 2 1920 1 1 47 ASP HB2 H -5.977 5.426 7.852 1.00 . A A . 47 ASP HB2 1 1 2 1921 1 1 47 ASP HB3 H -6.594 5.188 6.240 1.00 . A A . 47 ASP HB3 1 1 2 1922 1 1 47 ASP N N -4.890 3.004 8.176 1.00 . A A . 47 ASP N 1 1 2 1923 1 1 47 ASP O O -3.966 5.047 5.979 1.00 . A A . 47 ASP O 1 1 2 1924 1 1 47 ASP OD1 O -8.588 3.714 6.922 1.00 . A A . 47 ASP OD1 1 1 2 1925 1 1 47 ASP OD2 O -8.101 4.677 8.876 1.00 . A A . 47 ASP OD2 1 1 2 1926 1 1 48 ALA C C -3.397 2.054 3.076 1.00 . A A . 48 ALA C 1 1 2 1927 1 1 48 ALA CA C -3.117 3.185 4.058 1.00 . A A . 48 ALA CA 1 1 2 1928 1 1 48 ALA CB C -1.629 3.386 4.360 1.00 . A A . 48 ALA CB 1 1 2 1929 1 1 48 ALA H H -4.190 1.970 5.429 1.00 . A A . 48 ALA H 1 1 2 1930 1 1 48 ALA HA H -3.492 4.109 3.625 1.00 . A A . 48 ALA HA 1 1 2 1931 1 1 48 ALA HB1 H -1.229 2.556 4.935 1.00 . A A . 48 ALA HB1 1 1 2 1932 1 1 48 ALA HB2 H -1.080 3.474 3.421 1.00 . A A . 48 ALA HB2 1 1 2 1933 1 1 48 ALA HB3 H -1.491 4.301 4.936 1.00 . A A . 48 ALA HB3 1 1 2 1934 1 1 48 ALA N N -3.873 2.914 5.264 1.00 . A A . 48 ALA N 1 1 2 1935 1 1 48 ALA O O -4.194 2.203 2.153 1.00 . A A . 48 ALA O 1 1 2 1936 1 1 49 CYS C C -4.265 -1.007 3.011 1.00 . A A . 49 CYS C 1 1 2 1937 1 1 49 CYS CA C -3.007 -0.291 2.509 1.00 . A A . 49 CYS CA 1 1 2 1938 1 1 49 CYS CB C -1.800 -1.193 2.564 1.00 . A A . 49 CYS CB 1 1 2 1939 1 1 49 CYS H H -2.170 0.818 4.098 1.00 . A A . 49 CYS H 1 1 2 1940 1 1 49 CYS HA H -3.163 0.005 1.474 1.00 . A A . 49 CYS HA 1 1 2 1941 1 1 49 CYS HB2 H -1.839 -1.723 3.502 1.00 . A A . 49 CYS HB2 1 1 2 1942 1 1 49 CYS HB3 H -1.846 -1.930 1.765 1.00 . A A . 49 CYS HB3 1 1 2 1943 1 1 49 CYS N N -2.795 0.893 3.317 1.00 . A A . 49 CYS N 1 1 2 1944 1 1 49 CYS O O -5.187 -1.270 2.236 1.00 . A A . 49 CYS O 1 1 2 1945 1 1 49 CYS SG S -0.190 -0.339 2.580 1.00 . A A . 49 CYS SG 1 1 2 1946 1 1 50 LYS C C -6.694 -1.184 5.068 1.00 . A A . 50 LYS C 1 1 2 1947 1 1 50 LYS CA C -5.474 -2.084 4.846 1.00 . A A . 50 LYS CA 1 1 2 1948 1 1 50 LYS CB C -5.072 -2.807 6.137 1.00 . A A . 50 LYS CB 1 1 2 1949 1 1 50 LYS CD C -6.138 -4.273 7.943 1.00 . A A . 50 LYS CD 1 1 2 1950 1 1 50 LYS CE C -7.283 -3.540 8.668 1.00 . A A . 50 LYS CE 1 1 2 1951 1 1 50 LYS CG C -6.050 -3.957 6.443 1.00 . A A . 50 LYS CG 1 1 2 1952 1 1 50 LYS H H -3.622 -1.022 4.960 1.00 . A A . 50 LYS H 1 1 2 1953 1 1 50 LYS HA H -5.744 -2.850 4.116 1.00 . A A . 50 LYS HA 1 1 2 1954 1 1 50 LYS HB2 H -4.069 -3.228 6.030 1.00 . A A . 50 LYS HB2 1 1 2 1955 1 1 50 LYS HB3 H -5.054 -2.081 6.946 1.00 . A A . 50 LYS HB3 1 1 2 1956 1 1 50 LYS HD2 H -6.332 -5.345 8.039 1.00 . A A . 50 LYS HD2 1 1 2 1957 1 1 50 LYS HD3 H -5.180 -4.064 8.418 1.00 . A A . 50 LYS HD3 1 1 2 1958 1 1 50 LYS HE2 H -8.231 -3.799 8.192 1.00 . A A . 50 LYS HE2 1 1 2 1959 1 1 50 LYS HE3 H -7.318 -3.892 9.701 1.00 . A A . 50 LYS HE3 1 1 2 1960 1 1 50 LYS HG2 H -7.049 -3.752 6.058 1.00 . A A . 50 LYS HG2 1 1 2 1961 1 1 50 LYS HG3 H -5.677 -4.840 5.917 1.00 . A A . 50 LYS HG3 1 1 2 1962 1 1 50 LYS HZ1 H -7.908 -1.628 9.163 1.00 . A A . 50 LYS HZ1 1 1 2 1963 1 1 50 LYS HZ2 H -6.285 -1.779 9.144 1.00 . A A . 50 LYS HZ2 1 1 2 1964 1 1 50 LYS HZ3 H -7.120 -1.701 7.732 1.00 . A A . 50 LYS HZ3 1 1 2 1965 1 1 50 LYS N N -4.352 -1.314 4.313 1.00 . A A . 50 LYS N 1 1 2 1966 1 1 50 LYS NZ N -7.139 -2.068 8.678 1.00 . A A . 50 LYS NZ 1 1 2 1967 1 1 50 LYS O O -7.263 -1.152 6.160 1.00 . A A . 50 LYS O 1 1 2 1968 1 1 51 THR C C -8.814 0.585 2.613 1.00 . A A . 51 THR C 1 1 2 1969 1 1 51 THR CA C -8.362 0.283 4.032 1.00 . A A . 51 THR CA 1 1 2 1970 1 1 51 THR CB C -8.234 1.576 4.846 1.00 . A A . 51 THR CB 1 1 2 1971 1 1 51 THR CG2 C -7.395 2.646 4.130 1.00 . A A . 51 THR CG2 1 1 2 1972 1 1 51 THR H H -6.609 -0.612 3.164 1.00 . A A . 51 THR H 1 1 2 1973 1 1 51 THR HA H -9.124 -0.339 4.503 1.00 . A A . 51 THR HA 1 1 2 1974 1 1 51 THR HB H -7.784 1.355 5.816 1.00 . A A . 51 THR HB 1 1 2 1975 1 1 51 THR HG1 H -9.403 2.792 5.745 1.00 . A A . 51 THR HG1 1 1 2 1976 1 1 51 THR HG21 H -7.286 3.521 4.766 1.00 . A A . 51 THR HG21 1 1 2 1977 1 1 51 THR HG22 H -6.404 2.259 3.895 1.00 . A A . 51 THR HG22 1 1 2 1978 1 1 51 THR HG23 H -7.880 2.990 3.216 1.00 . A A . 51 THR HG23 1 1 2 1979 1 1 51 THR N N -7.123 -0.481 4.027 1.00 . A A . 51 THR N 1 1 2 1980 1 1 51 THR O O -10.011 0.605 2.338 1.00 . A A . 51 THR O 1 1 2 1981 1 1 51 THR OG1 O -9.531 2.074 5.095 1.00 . A A . 51 THR OG1 1 1 2 1982 1 1 52 CYS C C -8.819 0.016 -0.371 1.00 . A A . 52 CYS C 1 1 2 1983 1 1 52 CYS CA C -8.189 1.207 0.354 1.00 . A A . 52 CYS CA 1 1 2 1984 1 1 52 CYS CB C -6.922 1.670 -0.301 1.00 . A A . 52 CYS CB 1 1 2 1985 1 1 52 CYS H H -6.906 0.935 2.003 1.00 . A A . 52 CYS H 1 1 2 1986 1 1 52 CYS HA H -8.911 2.026 0.375 1.00 . A A . 52 CYS HA 1 1 2 1987 1 1 52 CYS HB2 H -6.195 1.979 0.449 1.00 . A A . 52 CYS HB2 1 1 2 1988 1 1 52 CYS HB3 H -6.493 0.848 -0.871 1.00 . A A . 52 CYS HB3 1 1 2 1989 1 1 52 CYS N N -7.869 0.846 1.716 1.00 . A A . 52 CYS N 1 1 2 1990 1 1 52 CYS O O -9.774 0.171 -1.128 1.00 . A A . 52 CYS O 1 1 2 1991 1 1 52 CYS SG S -7.237 3.144 -1.301 1.00 . A A . 52 CYS SG 1 1 2 1992 1 1 53 HIS C C -10.108 -2.910 -0.305 1.00 . A A . 53 HIS C 1 1 2 1993 1 1 53 HIS CA C -8.745 -2.402 -0.802 1.00 . A A . 53 HIS CA 1 1 2 1994 1 1 53 HIS CB C -7.674 -3.503 -0.716 1.00 . A A . 53 HIS CB 1 1 2 1995 1 1 53 HIS CD2 C -5.666 -2.878 -2.214 1.00 . A A . 53 HIS CD2 1 1 2 1996 1 1 53 HIS CE1 C -4.281 -2.209 -0.673 1.00 . A A . 53 HIS CE1 1 1 2 1997 1 1 53 HIS CG C -6.268 -3.046 -0.995 1.00 . A A . 53 HIS CG 1 1 2 1998 1 1 53 HIS H H -7.515 -1.247 0.502 1.00 . A A . 53 HIS H 1 1 2 1999 1 1 53 HIS HA H -8.857 -2.155 -1.855 1.00 . A A . 53 HIS HA 1 1 2 2000 1 1 53 HIS HB2 H -7.699 -3.958 0.273 1.00 . A A . 53 HIS HB2 1 1 2 2001 1 1 53 HIS HB3 H -7.927 -4.288 -1.433 1.00 . A A . 53 HIS HB3 1 1 2 2002 1 1 53 HIS HD1 H -5.539 -2.442 0.952 1.00 . A A . 53 HIS HD1 1 1 2 2003 1 1 53 HIS HD2 H -6.065 -3.095 -3.190 1.00 . A A . 53 HIS HD2 1 1 2 2004 1 1 53 HIS HE1 H -3.435 -1.773 -0.185 1.00 . A A . 53 HIS HE1 1 1 2 2005 1 1 53 HIS N N -8.315 -1.194 -0.108 1.00 . A A . 53 HIS N 1 1 2 2006 1 1 53 HIS ND1 N -5.384 -2.621 -0.036 1.00 . A A . 53 HIS ND1 1 1 2 2007 1 1 53 HIS NE2 N -4.401 -2.328 -1.998 1.00 . A A . 53 HIS NE2 1 1 2 2008 1 1 53 HIS O O -10.218 -4.068 0.090 1.00 . A A . 53 HIS O 1 1 2 2009 1 1 54 LYS C C -13.202 -2.086 -1.721 1.00 . A A . 54 LYS C 1 1 2 2010 1 1 54 LYS CA C -12.542 -2.523 -0.402 1.00 . A A . 54 LYS CA 1 1 2 2011 1 1 54 LYS CB C -13.341 -2.032 0.819 1.00 . A A . 54 LYS CB 1 1 2 2012 1 1 54 LYS CD C -11.994 -1.731 2.982 1.00 . A A . 54 LYS CD 1 1 2 2013 1 1 54 LYS CE C -12.776 -0.552 3.603 1.00 . A A . 54 LYS CE 1 1 2 2014 1 1 54 LYS CG C -12.891 -2.658 2.153 1.00 . A A . 54 LYS CG 1 1 2 2015 1 1 54 LYS H H -10.949 -1.094 -0.553 1.00 . A A . 54 LYS H 1 1 2 2016 1 1 54 LYS HA H -12.584 -3.613 -0.409 1.00 . A A . 54 LYS HA 1 1 2 2017 1 1 54 LYS HB2 H -13.312 -0.944 0.847 1.00 . A A . 54 LYS HB2 1 1 2 2018 1 1 54 LYS HB3 H -14.380 -2.335 0.677 1.00 . A A . 54 LYS HB3 1 1 2 2019 1 1 54 LYS HD2 H -11.533 -2.319 3.778 1.00 . A A . 54 LYS HD2 1 1 2 2020 1 1 54 LYS HD3 H -11.211 -1.392 2.309 1.00 . A A . 54 LYS HD3 1 1 2 2021 1 1 54 LYS HE2 H -13.377 -0.061 2.838 1.00 . A A . 54 LYS HE2 1 1 2 2022 1 1 54 LYS HE3 H -13.452 -0.936 4.370 1.00 . A A . 54 LYS HE3 1 1 2 2023 1 1 54 LYS HG2 H -13.773 -2.918 2.742 1.00 . A A . 54 LYS HG2 1 1 2 2024 1 1 54 LYS HG3 H -12.350 -3.583 1.939 1.00 . A A . 54 LYS HG3 1 1 2 2025 1 1 54 LYS HZ1 H -12.427 1.271 4.525 1.00 . A A . 54 LYS HZ1 1 1 2 2026 1 1 54 LYS HZ2 H -11.349 0.123 4.968 1.00 . A A . 54 LYS HZ2 1 1 2 2027 1 1 54 LYS HZ3 H -11.243 0.813 3.490 1.00 . A A . 54 LYS HZ3 1 1 2 2028 1 1 54 LYS N N -11.149 -2.072 -0.352 1.00 . A A . 54 LYS N 1 1 2 2029 1 1 54 LYS NZ N -11.894 0.479 4.197 1.00 . A A . 54 LYS NZ 1 1 2 2030 1 1 54 LYS O O -14.403 -1.833 -1.762 1.00 . A A . 54 LYS O 1 1 2 2031 1 1 55 SER C C -11.975 -2.288 -5.179 1.00 . A A . 55 SER C 1 1 2 2032 1 1 55 SER CA C -12.971 -1.763 -4.145 1.00 . A A . 55 SER CA 1 1 2 2033 1 1 55 SER CB C -13.260 -0.264 -4.318 1.00 . A A . 55 SER CB 1 1 2 2034 1 1 55 SER H H -11.441 -2.170 -2.728 1.00 . A A . 55 SER H 1 1 2 2035 1 1 55 SER HA H -13.908 -2.306 -4.277 1.00 . A A . 55 SER HA 1 1 2 2036 1 1 55 SER HB2 H -13.673 -0.090 -5.313 1.00 . A A . 55 SER HB2 1 1 2 2037 1 1 55 SER HB3 H -13.991 0.065 -3.578 1.00 . A A . 55 SER HB3 1 1 2 2038 1 1 55 SER HG H -11.466 0.199 -4.862 1.00 . A A . 55 SER HG 1 1 2 2039 1 1 55 SER N N -12.436 -2.025 -2.814 1.00 . A A . 55 SER N 1 1 2 2040 1 1 55 SER O O -11.384 -1.506 -5.925 1.00 . A A . 55 SER O 1 1 2 2041 1 1 55 SER OG O -12.074 0.489 -4.171 1.00 . A A . 55 SER OG 1 1 2 2042 1 1 56 ASN C C -10.674 -5.785 -5.577 1.00 . A A . 56 ASN C 1 1 2 2043 1 1 56 ASN CA C -10.792 -4.325 -6.008 1.00 . A A . 56 ASN CA 1 1 2 2044 1 1 56 ASN CB C -9.402 -3.672 -6.079 1.00 . A A . 56 ASN CB 1 1 2 2045 1 1 56 ASN CG C -8.884 -3.147 -4.743 1.00 . A A . 56 ASN CG 1 1 2 2046 1 1 56 ASN H H -12.284 -4.157 -4.505 1.00 . A A . 56 ASN H 1 1 2 2047 1 1 56 ASN HA H -11.198 -4.328 -7.020 1.00 . A A . 56 ASN HA 1 1 2 2048 1 1 56 ASN HB2 H -8.685 -4.401 -6.464 1.00 . A A . 56 ASN HB2 1 1 2 2049 1 1 56 ASN HB3 H -9.442 -2.856 -6.797 1.00 . A A . 56 ASN HB3 1 1 2 2050 1 1 56 ASN HD21 H -9.556 -1.308 -5.201 1.00 . A A . 56 ASN HD21 1 1 2 2051 1 1 56 ASN HD22 H -8.629 -1.408 -3.702 1.00 . A A . 56 ASN HD22 1 1 2 2052 1 1 56 ASN N N -11.741 -3.605 -5.155 1.00 . A A . 56 ASN N 1 1 2 2053 1 1 56 ASN ND2 N -9.015 -1.842 -4.526 1.00 . A A . 56 ASN ND2 1 1 2 2054 1 1 56 ASN O O -10.609 -6.671 -6.430 1.00 . A A . 56 ASN O 1 1 2 2055 1 1 56 ASN OD1 O -8.395 -3.898 -3.909 1.00 . A A . 56 ASN OD1 1 1 2 2056 1 1 57 ASN C C -11.173 -7.556 -2.371 1.00 . A A . 57 ASN C 1 1 2 2057 1 1 57 ASN CA C -10.667 -7.444 -3.803 1.00 . A A . 57 ASN CA 1 1 2 2058 1 1 57 ASN CB C -9.275 -8.071 -3.980 1.00 . A A . 57 ASN CB 1 1 2 2059 1 1 57 ASN CG C -9.417 -9.406 -4.691 1.00 . A A . 57 ASN CG 1 1 2 2060 1 1 57 ASN H H -10.682 -5.338 -3.567 1.00 . A A . 57 ASN H 1 1 2 2061 1 1 57 ASN HA H -11.400 -7.985 -4.408 1.00 . A A . 57 ASN HA 1 1 2 2062 1 1 57 ASN HB2 H -8.625 -7.432 -4.582 1.00 . A A . 57 ASN HB2 1 1 2 2063 1 1 57 ASN HB3 H -8.789 -8.215 -3.014 1.00 . A A . 57 ASN HB3 1 1 2 2064 1 1 57 ASN HD21 H -9.900 -8.443 -6.408 1.00 . A A . 57 ASN HD21 1 1 2 2065 1 1 57 ASN HD22 H -9.842 -10.209 -6.505 1.00 . A A . 57 ASN HD22 1 1 2 2066 1 1 57 ASN N N -10.671 -6.065 -4.270 1.00 . A A . 57 ASN N 1 1 2 2067 1 1 57 ASN ND2 N -9.739 -9.355 -5.980 1.00 . A A . 57 ASN ND2 1 1 2 2068 1 1 57 ASN O O -11.501 -6.543 -1.757 1.00 . A A . 57 ASN O 1 1 2 2069 1 1 57 ASN OD1 O -9.319 -10.461 -4.074 1.00 . A A . 57 ASN OD1 1 1 2 2070 1 1 58 GLY C C -10.830 -10.051 0.173 1.00 . A A . 58 GLY C 1 1 2 2071 1 1 58 GLY CA C -11.803 -9.121 -0.554 1.00 . A A . 58 GLY CA 1 1 2 2072 1 1 58 GLY H H -10.931 -9.570 -2.424 1.00 . A A . 58 GLY H 1 1 2 2073 1 1 58 GLY HA2 H -12.030 -8.226 0.022 1.00 . A A . 58 GLY HA2 1 1 2 2074 1 1 58 GLY HA3 H -12.738 -9.660 -0.705 1.00 . A A . 58 GLY HA3 1 1 2 2075 1 1 58 GLY N N -11.261 -8.792 -1.865 1.00 . A A . 58 GLY N 1 1 2 2076 1 1 58 GLY O O -10.739 -11.222 -0.196 1.00 . A A . 58 GLY O 1 1 2 2077 1 1 59 PRO C C -9.657 -11.370 2.788 1.00 . A A . 59 PRO C 1 1 2 2078 1 1 59 PRO CA C -9.048 -10.356 1.830 1.00 . A A . 59 PRO CA 1 1 2 2079 1 1 59 PRO CB C -8.146 -9.342 2.536 1.00 . A A . 59 PRO CB 1 1 2 2080 1 1 59 PRO CD C -10.077 -8.202 1.679 1.00 . A A . 59 PRO CD 1 1 2 2081 1 1 59 PRO CG C -9.120 -8.212 2.874 1.00 . A A . 59 PRO CG 1 1 2 2082 1 1 59 PRO HA H -8.502 -10.962 1.102 1.00 . A A . 59 PRO HA 1 1 2 2083 1 1 59 PRO HB2 H -7.657 -9.746 3.424 1.00 . A A . 59 PRO HB2 1 1 2 2084 1 1 59 PRO HB3 H -7.400 -8.975 1.831 1.00 . A A . 59 PRO HB3 1 1 2 2085 1 1 59 PRO HD2 H -11.069 -7.896 2.013 1.00 . A A . 59 PRO HD2 1 1 2 2086 1 1 59 PRO HD3 H -9.711 -7.520 0.910 1.00 . A A . 59 PRO HD3 1 1 2 2087 1 1 59 PRO HG2 H -9.675 -8.474 3.776 1.00 . A A . 59 PRO HG2 1 1 2 2088 1 1 59 PRO HG3 H -8.617 -7.253 3.008 1.00 . A A . 59 PRO HG3 1 1 2 2089 1 1 59 PRO N N -10.069 -9.562 1.166 1.00 . A A . 59 PRO N 1 1 2 2090 1 1 59 PRO O O -10.859 -11.365 3.045 1.00 . A A . 59 PRO O 1 1 2 2091 1 1 60 THR C C -8.581 -14.360 4.564 1.00 . A A . 60 THR C 1 1 2 2092 1 1 60 THR CA C -9.266 -13.681 3.369 1.00 . A A . 60 THR CA 1 1 2 2093 1 1 60 THR CB C -9.086 -14.349 1.989 1.00 . A A . 60 THR CB 1 1 2 2094 1 1 60 THR CG2 C -7.680 -14.837 1.636 1.00 . A A . 60 THR CG2 1 1 2 2095 1 1 60 THR H H -7.831 -12.193 3.034 1.00 . A A . 60 THR H 1 1 2 2096 1 1 60 THR HA H -10.334 -13.680 3.595 1.00 . A A . 60 THR HA 1 1 2 2097 1 1 60 THR HB H -9.346 -13.613 1.223 1.00 . A A . 60 THR HB 1 1 2 2098 1 1 60 THR HG1 H -10.850 -14.917 1.601 1.00 . A A . 60 THR HG1 1 1 2 2099 1 1 60 THR HG21 H -7.389 -15.670 2.270 1.00 . A A . 60 THR HG21 1 1 2 2100 1 1 60 THR HG22 H -7.679 -15.180 0.601 1.00 . A A . 60 THR HG22 1 1 2 2101 1 1 60 THR HG23 H -6.960 -14.023 1.729 1.00 . A A . 60 THR HG23 1 1 2 2102 1 1 60 THR N N -8.814 -12.311 3.221 1.00 . A A . 60 THR N 1 1 2 2103 1 1 60 THR O O -9.260 -14.846 5.464 1.00 . A A . 60 THR O 1 1 2 2104 1 1 60 THR OG1 O -10.028 -15.369 1.815 1.00 . A A . 60 THR OG1 1 1 2 2105 1 1 61 LYS C C -5.030 -14.245 5.625 1.00 . A A . 61 LYS C 1 1 2 2106 1 1 61 LYS CA C -6.466 -14.758 5.780 1.00 . A A . 61 LYS CA 1 1 2 2107 1 1 61 LYS CB C -6.593 -16.267 6.080 1.00 . A A . 61 LYS CB 1 1 2 2108 1 1 61 LYS CD C -5.197 -17.468 4.291 1.00 . A A . 61 LYS CD 1 1 2 2109 1 1 61 LYS CE C -5.139 -18.750 3.448 1.00 . A A . 61 LYS CE 1 1 2 2110 1 1 61 LYS CG C -6.591 -17.249 4.897 1.00 . A A . 61 LYS CG 1 1 2 2111 1 1 61 LYS H H -6.736 -13.928 3.848 1.00 . A A . 61 LYS H 1 1 2 2112 1 1 61 LYS HA H -6.877 -14.246 6.654 1.00 . A A . 61 LYS HA 1 1 2 2113 1 1 61 LYS HB2 H -5.824 -16.554 6.798 1.00 . A A . 61 LYS HB2 1 1 2 2114 1 1 61 LYS HB3 H -7.553 -16.406 6.582 1.00 . A A . 61 LYS HB3 1 1 2 2115 1 1 61 LYS HD2 H -4.945 -16.607 3.668 1.00 . A A . 61 LYS HD2 1 1 2 2116 1 1 61 LYS HD3 H -4.475 -17.541 5.107 1.00 . A A . 61 LYS HD3 1 1 2 2117 1 1 61 LYS HE2 H -5.460 -19.598 4.058 1.00 . A A . 61 LYS HE2 1 1 2 2118 1 1 61 LYS HE3 H -5.822 -18.656 2.601 1.00 . A A . 61 LYS HE3 1 1 2 2119 1 1 61 LYS HG2 H -6.949 -18.201 5.293 1.00 . A A . 61 LYS HG2 1 1 2 2120 1 1 61 LYS HG3 H -7.301 -16.923 4.137 1.00 . A A . 61 LYS HG3 1 1 2 2121 1 1 61 LYS HZ1 H -3.449 -18.256 2.376 1.00 . A A . 61 LYS HZ1 1 1 2 2122 1 1 61 LYS HZ2 H -3.134 -19.133 3.729 1.00 . A A . 61 LYS HZ2 1 1 2 2123 1 1 61 LYS HZ3 H -3.766 -19.868 2.403 1.00 . A A . 61 LYS HZ3 1 1 2 2124 1 1 61 LYS N N -7.243 -14.343 4.616 1.00 . A A . 61 LYS N 1 1 2 2125 1 1 61 LYS NZ N -3.772 -19.019 2.953 1.00 . A A . 61 LYS NZ 1 1 2 2126 1 1 61 LYS O O -4.112 -14.994 5.297 1.00 . A A . 61 LYS O 1 1 2 2127 1 1 62 CYS C C -3.266 -12.415 4.055 1.00 . A A . 62 CYS C 1 1 2 2128 1 1 62 CYS CA C -3.639 -12.201 5.528 1.00 . A A . 62 CYS CA 1 1 2 2129 1 1 62 CYS CB C -2.538 -12.537 6.518 1.00 . A A . 62 CYS CB 1 1 2 2130 1 1 62 CYS H H -5.661 -12.393 6.102 1.00 . A A . 62 CYS H 1 1 2 2131 1 1 62 CYS HA H -3.893 -11.150 5.621 1.00 . A A . 62 CYS HA 1 1 2 2132 1 1 62 CYS HB2 H -2.197 -13.559 6.351 1.00 . A A . 62 CYS HB2 1 1 2 2133 1 1 62 CYS HB3 H -1.692 -11.862 6.379 1.00 . A A . 62 CYS HB3 1 1 2 2134 1 1 62 CYS N N -4.861 -12.936 5.824 1.00 . A A . 62 CYS N 1 1 2 2135 1 1 62 CYS O O -4.131 -12.306 3.186 1.00 . A A . 62 CYS O 1 1 2 2136 1 1 62 CYS SG S -3.084 -12.432 8.247 1.00 . A A . 62 CYS SG 1 1 2 2137 1 1 63 GLY C C -1.367 -12.117 1.416 1.00 . A A . 63 GLY C 1 1 2 2138 1 1 63 GLY CA C -1.570 -13.216 2.457 1.00 . A A . 63 GLY CA 1 1 2 2139 1 1 63 GLY H H -1.324 -12.694 4.502 1.00 . A A . 63 GLY H 1 1 2 2140 1 1 63 GLY HA2 H -0.629 -13.753 2.591 1.00 . A A . 63 GLY HA2 1 1 2 2141 1 1 63 GLY HA3 H -2.311 -13.921 2.078 1.00 . A A . 63 GLY HA3 1 1 2 2142 1 1 63 GLY N N -1.999 -12.706 3.755 1.00 . A A . 63 GLY N 1 1 2 2143 1 1 63 GLY O O -0.363 -12.113 0.713 1.00 . A A . 63 GLY O 1 1 2 2144 1 1 64 GLY C C -1.048 -9.499 -0.042 1.00 . A A . 64 GLY C 1 1 2 2145 1 1 64 GLY CA C -2.388 -10.180 0.263 1.00 . A A . 64 GLY CA 1 1 2 2146 1 1 64 GLY H H -3.148 -11.329 1.893 1.00 . A A . 64 GLY H 1 1 2 2147 1 1 64 GLY HA2 H -2.774 -10.635 -0.649 1.00 . A A . 64 GLY HA2 1 1 2 2148 1 1 64 GLY HA3 H -3.090 -9.411 0.589 1.00 . A A . 64 GLY HA3 1 1 2 2149 1 1 64 GLY N N -2.329 -11.198 1.307 1.00 . A A . 64 GLY N 1 1 2 2150 1 1 64 GLY O O -0.666 -9.367 -1.202 1.00 . A A . 64 GLY O 1 1 2 2151 1 1 65 CYS C C 2.026 -8.555 1.387 1.00 . A A . 65 CYS C 1 1 2 2152 1 1 65 CYS CA C 0.684 -8.010 0.888 1.00 . A A . 65 CYS CA 1 1 2 2153 1 1 65 CYS CB C 0.249 -6.786 1.656 1.00 . A A . 65 CYS CB 1 1 2 2154 1 1 65 CYS H H -0.769 -9.173 1.913 1.00 . A A . 65 CYS H 1 1 2 2155 1 1 65 CYS HA H 0.822 -7.719 -0.153 1.00 . A A . 65 CYS HA 1 1 2 2156 1 1 65 CYS HB2 H 0.328 -7.018 2.716 1.00 . A A . 65 CYS HB2 1 1 2 2157 1 1 65 CYS HB3 H 0.899 -5.941 1.432 1.00 . A A . 65 CYS HB3 1 1 2 2158 1 1 65 CYS N N -0.371 -9.016 1.003 1.00 . A A . 65 CYS N 1 1 2 2159 1 1 65 CYS O O 3.062 -8.360 0.750 1.00 . A A . 65 CYS O 1 1 2 2160 1 1 65 CYS SG S -1.480 -6.373 1.221 1.00 . A A . 65 CYS SG 1 1 2 2161 1 1 66 HIS C C 3.266 -11.286 2.300 1.00 . A A . 66 HIS C 1 1 2 2162 1 1 66 HIS CA C 3.165 -9.962 3.044 1.00 . A A . 66 HIS CA 1 1 2 2163 1 1 66 HIS CB C 3.004 -10.257 4.539 1.00 . A A . 66 HIS CB 1 1 2 2164 1 1 66 HIS CD2 C 1.606 -8.686 5.988 1.00 . A A . 66 HIS CD2 1 1 2 2165 1 1 66 HIS CE1 C 3.116 -7.203 6.508 1.00 . A A . 66 HIS CE1 1 1 2 2166 1 1 66 HIS CG C 2.782 -9.044 5.391 1.00 . A A . 66 HIS CG 1 1 2 2167 1 1 66 HIS H H 1.120 -9.394 2.986 1.00 . A A . 66 HIS H 1 1 2 2168 1 1 66 HIS HA H 4.066 -9.369 2.888 1.00 . A A . 66 HIS HA 1 1 2 2169 1 1 66 HIS HB2 H 2.174 -10.950 4.679 1.00 . A A . 66 HIS HB2 1 1 2 2170 1 1 66 HIS HB3 H 3.910 -10.758 4.880 1.00 . A A . 66 HIS HB3 1 1 2 2171 1 1 66 HIS HD1 H 4.647 -7.978 5.295 1.00 . A A . 66 HIS HD1 1 1 2 2172 1 1 66 HIS HD2 H 0.653 -9.176 5.943 1.00 . A A . 66 HIS HD2 1 1 2 2173 1 1 66 HIS HE1 H 3.605 -6.332 6.904 1.00 . A A . 66 HIS HE1 1 1 2 2174 1 1 66 HIS N N 2.006 -9.246 2.532 1.00 . A A . 66 HIS N 1 1 2 2175 1 1 66 HIS ND1 N 3.727 -8.104 5.722 1.00 . A A . 66 HIS ND1 1 1 2 2176 1 1 66 HIS NE2 N 1.817 -7.504 6.680 1.00 . A A . 66 HIS NE2 1 1 2 2177 1 1 66 HIS O O 2.329 -12.080 2.367 1.00 . A A . 66 HIS O 1 1 2 2178 1 1 67 ILE C C 5.032 -13.844 1.934 1.00 . A A . 67 ILE C 1 1 2 2179 1 1 67 ILE CA C 4.575 -12.797 0.918 1.00 . A A . 67 ILE CA 1 1 2 2180 1 1 67 ILE CB C 5.552 -12.591 -0.253 1.00 . A A . 67 ILE CB 1 1 2 2181 1 1 67 ILE CD1 C 3.698 -11.665 -1.814 1.00 . A A . 67 ILE CD1 1 1 2 2182 1 1 67 ILE CG1 C 5.088 -11.461 -1.198 1.00 . A A . 67 ILE CG1 1 1 2 2183 1 1 67 ILE CG2 C 5.752 -13.900 -1.031 1.00 . A A . 67 ILE CG2 1 1 2 2184 1 1 67 ILE H H 5.191 -10.929 1.738 1.00 . A A . 67 ILE H 1 1 2 2185 1 1 67 ILE HA H 3.626 -13.129 0.499 1.00 . A A . 67 ILE HA 1 1 2 2186 1 1 67 ILE HB H 6.522 -12.294 0.151 1.00 . A A . 67 ILE HB 1 1 2 2187 1 1 67 ILE HD11 H 3.651 -12.604 -2.364 1.00 . A A . 67 ILE HD11 1 1 2 2188 1 1 67 ILE HD12 H 2.926 -11.653 -1.044 1.00 . A A . 67 ILE HD12 1 1 2 2189 1 1 67 ILE HD13 H 3.495 -10.851 -2.509 1.00 . A A . 67 ILE HD13 1 1 2 2190 1 1 67 ILE HG12 H 5.079 -10.515 -0.655 1.00 . A A . 67 ILE HG12 1 1 2 2191 1 1 67 ILE HG13 H 5.810 -11.368 -2.008 1.00 . A A . 67 ILE HG13 1 1 2 2192 1 1 67 ILE HG21 H 6.374 -13.718 -1.908 1.00 . A A . 67 ILE HG21 1 1 2 2193 1 1 67 ILE HG22 H 6.253 -14.636 -0.401 1.00 . A A . 67 ILE HG22 1 1 2 2194 1 1 67 ILE HG23 H 4.793 -14.309 -1.349 1.00 . A A . 67 ILE HG23 1 1 2 2195 1 1 67 ILE N N 4.392 -11.549 1.639 1.00 . A A . 67 ILE N 1 1 2 2196 1 1 67 ILE O O 6.190 -13.846 2.348 1.00 . A A . 67 ILE O 1 1 2 2197 1 1 68 LYS C C 3.250 -16.805 3.055 1.00 . A A . 68 LYS C 1 1 2 2198 1 1 68 LYS CA C 4.309 -15.740 3.354 1.00 . A A . 68 LYS CA 1 1 2 2199 1 1 68 LYS CB C 4.103 -15.149 4.757 1.00 . A A . 68 LYS CB 1 1 2 2200 1 1 68 LYS CD C 3.679 -16.055 7.073 1.00 . A A . 68 LYS CD 1 1 2 2201 1 1 68 LYS CE C 4.148 -17.078 8.115 1.00 . A A . 68 LYS CE 1 1 2 2202 1 1 68 LYS CG C 4.596 -16.111 5.847 1.00 . A A . 68 LYS CG 1 1 2 2203 1 1 68 LYS H H 3.168 -14.716 1.981 1.00 . A A . 68 LYS H 1 1 2 2204 1 1 68 LYS HA H 5.309 -16.163 3.255 1.00 . A A . 68 LYS HA 1 1 2 2205 1 1 68 LYS HB2 H 4.646 -14.208 4.855 1.00 . A A . 68 LYS HB2 1 1 2 2206 1 1 68 LYS HB3 H 3.038 -14.943 4.879 1.00 . A A . 68 LYS HB3 1 1 2 2207 1 1 68 LYS HD2 H 3.697 -15.041 7.480 1.00 . A A . 68 LYS HD2 1 1 2 2208 1 1 68 LYS HD3 H 2.666 -16.295 6.740 1.00 . A A . 68 LYS HD3 1 1 2 2209 1 1 68 LYS HE2 H 4.276 -18.049 7.632 1.00 . A A . 68 LYS HE2 1 1 2 2210 1 1 68 LYS HE3 H 5.113 -16.762 8.517 1.00 . A A . 68 LYS HE3 1 1 2 2211 1 1 68 LYS HG2 H 4.599 -17.130 5.461 1.00 . A A . 68 LYS HG2 1 1 2 2212 1 1 68 LYS HG3 H 5.621 -15.844 6.114 1.00 . A A . 68 LYS HG3 1 1 2 2213 1 1 68 LYS HZ1 H 2.294 -17.566 8.846 1.00 . A A . 68 LYS HZ1 1 1 2 2214 1 1 68 LYS HZ2 H 3.522 -17.907 9.883 1.00 . A A . 68 LYS HZ2 1 1 2 2215 1 1 68 LYS HZ3 H 3.029 -16.349 9.678 1.00 . A A . 68 LYS HZ3 1 1 2 2216 1 1 68 LYS N N 4.106 -14.699 2.369 1.00 . A A . 68 LYS N 1 1 2 2217 1 1 68 LYS NZ N 3.174 -17.234 9.213 1.00 . A A . 68 LYS NZ 1 1 2 2218 1 1 68 LYS O O 2.251 -16.423 2.401 1.00 . A A . 68 LYS O 1 1 2 2219 1 1 68 LYS OXT O 3.437 -17.957 3.501 1.00 . A A . 68 LYS OXT 1 1 2 2220 2 2 1 HEC C1A C 7.429 8.089 -3.920 1.00 . B A . 69 HEC C1A 1 1 2 2221 2 2 1 HEC C1B C 4.751 9.284 -7.020 1.00 . B A . 69 HEC C1B 1 1 2 2222 2 2 1 HEC C1C C 1.871 6.474 -5.626 1.00 . B A . 69 HEC C1C 1 1 2 2223 2 2 1 HEC C1D C 4.322 5.728 -2.226 1.00 . B A . 69 HEC C1D 1 1 2 2224 2 2 1 HEC C2A C 8.514 8.958 -4.329 1.00 . B A . 69 HEC C2A 1 1 2 2225 2 2 1 HEC C2B C 3.984 9.776 -8.139 1.00 . B A . 69 HEC C2B 1 1 2 2226 2 2 1 HEC C2C C 0.720 5.727 -5.180 1.00 . B A . 69 HEC C2C 1 1 2 2227 2 2 1 HEC C2D C 5.064 5.293 -1.070 1.00 . B A . 69 HEC C2D 1 1 2 2228 2 2 1 HEC C3A C 8.054 9.711 -5.380 1.00 . B A . 69 HEC C3A 1 1 2 2229 2 2 1 HEC C3B C 2.832 9.031 -8.197 1.00 . B A . 69 HEC C3B 1 1 2 2230 2 2 1 HEC C3C C 0.998 5.270 -3.911 1.00 . B A . 69 HEC C3C 1 1 2 2231 2 2 1 HEC C3D C 6.333 5.801 -1.186 1.00 . B A . 69 HEC C3D 1 1 2 2232 2 2 1 HEC C4A C 6.707 9.281 -5.643 1.00 . B A . 69 HEC C4A 1 1 2 2233 2 2 1 HEC C4B C 2.913 8.046 -7.134 1.00 . B A . 69 HEC C4B 1 1 2 2234 2 2 1 HEC C4C C 2.352 5.690 -3.606 1.00 . B A . 69 HEC C4C 1 1 2 2235 2 2 1 HEC C4D C 6.375 6.539 -2.427 1.00 . B A . 69 HEC C4D 1 1 2 2236 2 2 1 HEC CAA C 9.913 9.006 -3.768 1.00 . B A . 69 HEC CAA 1 1 2 2237 2 2 1 HEC CAB C 1.572 9.438 -8.938 1.00 . B A . 69 HEC CAB 1 1 2 2238 2 2 1 HEC CAC C 0.019 4.622 -2.942 1.00 . B A . 69 HEC CAC 1 1 2 2239 2 2 1 HEC CAD C 7.406 5.760 -0.120 1.00 . B A . 69 HEC CAD 1 1 2 2240 2 2 1 HEC CBA C 10.834 7.963 -4.411 1.00 . B A . 69 HEC CBA 1 1 2 2241 2 2 1 HEC CBB C 1.740 9.723 -10.438 1.00 . B A . 69 HEC CBB 1 1 2 2242 2 2 1 HEC CBC C -0.479 3.232 -3.359 1.00 . B A . 69 HEC CBC 1 1 2 2243 2 2 1 HEC CBD C 8.201 4.460 -0.066 1.00 . B A . 69 HEC CBD 1 1 2 2244 2 2 1 HEC CGA C 11.024 8.235 -5.907 1.00 . B A . 69 HEC CGA 1 1 2 2245 2 2 1 HEC CGD C 9.231 4.404 -1.195 1.00 . B A . 69 HEC CGD 1 1 2 2246 2 2 1 HEC CHA C 7.475 7.239 -2.837 1.00 . B A . 69 HEC CHA 1 1 2 2247 2 2 1 HEC CHB C 5.967 9.803 -6.660 1.00 . B A . 69 HEC CHB 1 1 2 2248 2 2 1 HEC CHC C 1.890 7.177 -6.809 1.00 . B A . 69 HEC CHC 1 1 2 2249 2 2 1 HEC CHD C 3.015 5.371 -2.437 1.00 . B A . 69 HEC CHD 1 1 2 2250 2 2 1 HEC CMA C 8.840 10.696 -6.215 1.00 . B A . 69 HEC CMA 1 1 2 2251 2 2 1 HEC CMB C 4.334 10.937 -9.049 1.00 . B A . 69 HEC CMB 1 1 2 2252 2 2 1 HEC CMC C -0.587 5.625 -5.933 1.00 . B A . 69 HEC CMC 1 1 2 2253 2 2 1 HEC CMD C 4.533 4.425 0.040 1.00 . B A . 69 HEC CMD 1 1 2 2254 2 2 1 HEC FE FE 4.609 7.347 -4.747 1.00 . B A . 69 HEC FE 1 1 2 2255 2 2 1 HEC HAA1 H 10.357 9.988 -3.918 1.00 . B A . 69 HEC HAA1 1 1 2 2256 2 2 1 HEC HAA2 H 9.869 8.837 -2.705 1.00 . B A . 69 HEC HAA2 1 1 2 2257 2 2 1 HEC HAB H 0.846 8.637 -8.882 1.00 . B A . 69 HEC HAB 1 1 2 2258 2 2 1 HEC HAC H 0.489 4.509 -1.969 1.00 . B A . 69 HEC HAC 1 1 2 2259 2 2 1 HEC HAD1 H 8.132 6.547 -0.274 1.00 . B A . 69 HEC HAD1 1 1 2 2260 2 2 1 HEC HAD2 H 6.943 5.924 0.837 1.00 . B A . 69 HEC HAD2 1 1 2 2261 2 2 1 HEC HBA1 H 11.802 8.001 -3.909 1.00 . B A . 69 HEC HBA1 1 1 2 2262 2 2 1 HEC HBA2 H 10.407 6.971 -4.259 1.00 . B A . 69 HEC HBA2 1 1 2 2263 2 2 1 HEC HBB1 H 2.344 8.942 -10.898 1.00 . B A . 69 HEC HBB1 1 1 2 2264 2 2 1 HEC HBB2 H 0.761 9.726 -10.918 1.00 . B A . 69 HEC HBB2 1 1 2 2265 2 2 1 HEC HBB3 H 2.200 10.691 -10.617 1.00 . B A . 69 HEC HBB3 1 1 2 2266 2 2 1 HEC HBC1 H 0.363 2.590 -3.622 1.00 . B A . 69 HEC HBC1 1 1 2 2267 2 2 1 HEC HBC2 H -1.021 2.777 -2.532 1.00 . B A . 69 HEC HBC2 1 1 2 2268 2 2 1 HEC HBC3 H -1.155 3.299 -4.207 1.00 . B A . 69 HEC HBC3 1 1 2 2269 2 2 1 HEC HBD1 H 8.731 4.418 0.888 1.00 . B A . 69 HEC HBD1 1 1 2 2270 2 2 1 HEC HBD2 H 7.500 3.632 -0.110 1.00 . B A . 69 HEC HBD2 1 1 2 2271 2 2 1 HEC HHA H 8.373 7.114 -2.257 1.00 . B A . 69 HEC HHA 1 1 2 2272 2 2 1 HEC HHB H 6.392 10.611 -7.212 1.00 . B A . 69 HEC HHB 1 1 2 2273 2 2 1 HEC HHC H 1.022 7.122 -7.432 1.00 . B A . 69 HEC HHC 1 1 2 2274 2 2 1 HEC HHD H 2.536 4.770 -1.684 1.00 . B A . 69 HEC HHD 1 1 2 2275 2 2 1 HEC HMA1 H 9.856 10.826 -5.849 1.00 . B A . 69 HEC HMA1 1 1 2 2276 2 2 1 HEC HMA2 H 8.912 10.300 -7.230 1.00 . B A . 69 HEC HMA2 1 1 2 2277 2 2 1 HEC HMA3 H 8.343 11.663 -6.228 1.00 . B A . 69 HEC HMA3 1 1 2 2278 2 2 1 HEC HMB1 H 3.498 11.634 -9.068 1.00 . B A . 69 HEC HMB1 1 1 2 2279 2 2 1 HEC HMB2 H 5.203 11.493 -8.710 1.00 . B A . 69 HEC HMB2 1 1 2 2280 2 2 1 HEC HMB3 H 4.529 10.560 -10.051 1.00 . B A . 69 HEC HMB3 1 1 2 2281 2 2 1 HEC HMC1 H -1.358 5.152 -5.334 1.00 . B A . 69 HEC HMC1 1 1 2 2282 2 2 1 HEC HMC2 H -0.933 6.627 -6.189 1.00 . B A . 69 HEC HMC2 1 1 2 2283 2 2 1 HEC HMC3 H -0.430 5.043 -6.838 1.00 . B A . 69 HEC HMC3 1 1 2 2284 2 2 1 HEC HMD1 H 4.115 3.517 -0.393 1.00 . B A . 69 HEC HMD1 1 1 2 2285 2 2 1 HEC HMD2 H 5.322 4.153 0.740 1.00 . B A . 69 HEC HMD2 1 1 2 2286 2 2 1 HEC HMD3 H 3.745 4.965 0.563 1.00 . B A . 69 HEC HMD3 1 1 2 2287 2 2 1 HEC NA N 6.369 8.324 -4.751 1.00 . B A . 69 HEC NA 1 1 2 2288 2 2 1 HEC NB N 4.067 8.265 -6.443 1.00 . B A . 69 HEC NB 1 1 2 2289 2 2 1 HEC NC N 2.819 6.422 -4.661 1.00 . B A . 69 HEC NC 1 1 2 2290 2 2 1 HEC ND N 5.141 6.485 -2.997 1.00 . B A . 69 HEC ND 1 1 2 2291 2 2 1 HEC O1A O 10.335 7.569 -6.713 1.00 . B A . 69 HEC O1A 1 1 2 2292 2 2 1 HEC O1D O 9.204 3.413 -1.952 1.00 . B A . 69 HEC O1D 1 1 2 2293 2 2 1 HEC O2A O 11.816 9.153 -6.219 1.00 . B A . 69 HEC O2A 1 1 2 2294 2 2 1 HEC O2D O 10.013 5.379 -1.273 1.00 . B A . 69 HEC O2D 1 1 2 2295 3 2 1 HEC C1A C -2.864 -4.423 -4.594 1.00 . C A . 70 HEC C1A 1 1 2 2296 3 2 1 HEC C1B C -0.816 -2.334 -1.477 1.00 . C A . 70 HEC C1B 1 1 2 2297 3 2 1 HEC C1C C -3.470 0.970 -1.963 1.00 . C A . 70 HEC C1C 1 1 2 2298 3 2 1 HEC C1D C -5.448 -1.082 -5.163 1.00 . C A . 70 HEC C1D 1 1 2 2299 3 2 1 HEC C2A C -2.101 -5.648 -4.486 1.00 . C A . 70 HEC C2A 1 1 2 2300 3 2 1 HEC C2B C -0.038 -1.772 -0.401 1.00 . C A . 70 HEC C2B 1 1 2 2301 3 2 1 HEC C2C C -4.302 2.148 -2.005 1.00 . C A . 70 HEC C2C 1 1 2 2302 3 2 1 HEC C2D C -6.125 -1.596 -6.334 1.00 . C A . 70 HEC C2D 1 1 2 2303 3 2 1 HEC C3A C -1.246 -5.491 -3.423 1.00 . C A . 70 HEC C3A 1 1 2 2304 3 2 1 HEC C3B C -0.528 -0.508 -0.162 1.00 . C A . 70 HEC C3B 1 1 2 2305 3 2 1 HEC C3C C -5.332 1.884 -2.881 1.00 . C A . 70 HEC C3C 1 1 2 2306 3 2 1 HEC C3D C -5.557 -2.812 -6.622 1.00 . C A . 70 HEC C3D 1 1 2 2307 3 2 1 HEC C4A C -1.427 -4.151 -2.919 1.00 . C A . 70 HEC C4A 1 1 2 2308 3 2 1 HEC C4B C -1.597 -0.288 -1.111 1.00 . C A . 70 HEC C4B 1 1 2 2309 3 2 1 HEC C4C C -5.001 0.641 -3.541 1.00 . C A . 70 HEC C4C 1 1 2 2310 3 2 1 HEC C4D C -4.551 -3.059 -5.617 1.00 . C A . 70 HEC C4D 1 1 2 2311 3 2 1 HEC CAA C -2.163 -6.855 -5.401 1.00 . C A . 70 HEC CAA 1 1 2 2312 3 2 1 HEC CAB C -0.105 0.440 0.948 1.00 . C A . 70 HEC CAB 1 1 2 2313 3 2 1 HEC CAC C -6.703 2.552 -2.925 1.00 . C A . 70 HEC CAC 1 1 2 2314 3 2 1 HEC CAD C -5.791 -3.641 -7.868 1.00 . C A . 70 HEC CAD 1 1 2 2315 3 2 1 HEC CBA C -3.083 -7.979 -4.899 1.00 . C A . 70 HEC CBA 1 1 2 2316 3 2 1 HEC CBB C 1.274 1.063 0.712 1.00 . C A . 70 HEC CBB 1 1 2 2317 3 2 1 HEC CBC C -6.820 3.727 -3.889 1.00 . C A . 70 HEC CBC 1 1 2 2318 3 2 1 HEC CBD C -4.663 -3.464 -8.898 1.00 . C A . 70 HEC CBD 1 1 2 2319 3 2 1 HEC CGA C -4.577 -7.632 -4.986 1.00 . C A . 70 HEC CGA 1 1 2 2320 3 2 1 HEC CGD C -5.190 -3.231 -10.317 1.00 . C A . 70 HEC CGD 1 1 2 2321 3 2 1 HEC CHA C -3.803 -4.199 -5.566 1.00 . C A . 70 HEC CHA 1 1 2 2322 3 2 1 HEC CHB C -0.661 -3.625 -1.908 1.00 . C A . 70 HEC CHB 1 1 2 2323 3 2 1 HEC CHC C -2.411 0.820 -1.093 1.00 . C A . 70 HEC CHC 1 1 2 2324 3 2 1 HEC CHD C -5.745 0.122 -4.575 1.00 . C A . 70 HEC CHD 1 1 2 2325 3 2 1 HEC CMA C -0.262 -6.508 -2.895 1.00 . C A . 70 HEC CMA 1 1 2 2326 3 2 1 HEC CMB C 0.987 -2.526 0.418 1.00 . C A . 70 HEC CMB 1 1 2 2327 3 2 1 HEC CMC C -4.055 3.433 -1.248 1.00 . C A . 70 HEC CMC 1 1 2 2328 3 2 1 HEC CMD C -7.152 -0.874 -7.178 1.00 . C A . 70 HEC CMD 1 1 2 2329 3 2 1 HEC FE FE -3.112 -1.690 -3.319 1.00 . C A . 70 HEC FE 1 1 2 2330 3 2 1 HEC HAA1 H -2.488 -6.560 -6.398 1.00 . C A . 70 HEC HAA1 1 1 2 2331 3 2 1 HEC HAA2 H -1.156 -7.257 -5.508 1.00 . C A . 70 HEC HAA2 1 1 2 2332 3 2 1 HEC HAB H -0.783 1.281 1.029 1.00 . C A . 70 HEC HAB 1 1 2 2333 3 2 1 HEC HAC H -7.442 1.803 -3.207 1.00 . C A . 70 HEC HAC 1 1 2 2334 3 2 1 HEC HAD1 H -5.869 -4.697 -7.602 1.00 . C A . 70 HEC HAD1 1 1 2 2335 3 2 1 HEC HAD2 H -6.732 -3.357 -8.334 1.00 . C A . 70 HEC HAD2 1 1 2 2336 3 2 1 HEC HBA1 H -2.903 -8.860 -5.517 1.00 . C A . 70 HEC HBA1 1 1 2 2337 3 2 1 HEC HBA2 H -2.811 -8.226 -3.872 1.00 . C A . 70 HEC HBA2 1 1 2 2338 3 2 1 HEC HBB1 H 2.066 0.318 0.731 1.00 . C A . 70 HEC HBB1 1 1 2 2339 3 2 1 HEC HBB2 H 1.291 1.566 -0.256 1.00 . C A . 70 HEC HBB2 1 1 2 2340 3 2 1 HEC HBB3 H 1.465 1.800 1.487 1.00 . C A . 70 HEC HBB3 1 1 2 2341 3 2 1 HEC HBC1 H -6.691 3.365 -4.903 1.00 . C A . 70 HEC HBC1 1 1 2 2342 3 2 1 HEC HBC2 H -7.809 4.182 -3.807 1.00 . C A . 70 HEC HBC2 1 1 2 2343 3 2 1 HEC HBC3 H -6.063 4.474 -3.658 1.00 . C A . 70 HEC HBC3 1 1 2 2344 3 2 1 HEC HBD1 H -4.066 -2.591 -8.630 1.00 . C A . 70 HEC HBD1 1 1 2 2345 3 2 1 HEC HBD2 H -4.010 -4.337 -8.873 1.00 . C A . 70 HEC HBD2 1 1 2 2346 3 2 1 HEC HHA H -4.017 -4.979 -6.277 1.00 . C A . 70 HEC HHA 1 1 2 2347 3 2 1 HEC HHB H 0.084 -4.249 -1.445 1.00 . C A . 70 HEC HHB 1 1 2 2348 3 2 1 HEC HHC H -2.266 1.549 -0.313 1.00 . C A . 70 HEC HHC 1 1 2 2349 3 2 1 HEC HHD H -6.559 0.707 -4.954 1.00 . C A . 70 HEC HHD 1 1 2 2350 3 2 1 HEC HMA1 H 0.756 -6.187 -3.115 1.00 . C A . 70 HEC HMA1 1 1 2 2351 3 2 1 HEC HMA2 H -0.397 -6.599 -1.819 1.00 . C A . 70 HEC HMA2 1 1 2 2352 3 2 1 HEC HMA3 H -0.439 -7.487 -3.339 1.00 . C A . 70 HEC HMA3 1 1 2 2353 3 2 1 HEC HMB1 H 1.618 -1.842 0.977 1.00 . C A . 70 HEC HMB1 1 1 2 2354 3 2 1 HEC HMB2 H 0.464 -3.181 1.112 1.00 . C A . 70 HEC HMB2 1 1 2 2355 3 2 1 HEC HMB3 H 1.618 -3.133 -0.230 1.00 . C A . 70 HEC HMB3 1 1 2 2356 3 2 1 HEC HMC1 H -4.617 4.249 -1.698 1.00 . C A . 70 HEC HMC1 1 1 2 2357 3 2 1 HEC HMC2 H -4.357 3.319 -0.208 1.00 . C A . 70 HEC HMC2 1 1 2 2358 3 2 1 HEC HMC3 H -2.997 3.687 -1.287 1.00 . C A . 70 HEC HMC3 1 1 2 2359 3 2 1 HEC HMD1 H -7.776 -0.222 -6.572 1.00 . C A . 70 HEC HMD1 1 1 2 2360 3 2 1 HEC HMD2 H -6.623 -0.288 -7.932 1.00 . C A . 70 HEC HMD2 1 1 2 2361 3 2 1 HEC HMD3 H -7.797 -1.577 -7.694 1.00 . C A . 70 HEC HMD3 1 1 2 2362 3 2 1 HEC NA N -2.421 -3.555 -3.629 1.00 . C A . 70 HEC NA 1 1 2 2363 3 2 1 HEC NB N -1.722 -1.403 -1.884 1.00 . C A . 70 HEC NB 1 1 2 2364 3 2 1 HEC NC N -3.902 0.114 -2.928 1.00 . C A . 70 HEC NC 1 1 2 2365 3 2 1 HEC ND N -4.502 -1.979 -4.791 1.00 . C A . 70 HEC ND 1 1 2 2366 3 2 1 HEC O1A O -4.989 -7.149 -6.065 1.00 . C A . 70 HEC O1A 1 1 2 2367 3 2 1 HEC O1D O -5.840 -2.187 -10.558 1.00 . C A . 70 HEC O1D 1 1 2 2368 3 2 1 HEC O2A O -5.288 -7.862 -3.982 1.00 . C A . 70 HEC O2A 1 1 2 2369 3 2 1 HEC O2D O -4.916 -4.041 -11.234 1.00 . C A . 70 HEC O2D 1 1 2 2370 4 2 1 HEC C1A C 2.593 -5.498 9.471 1.00 . D A . 71 HEC C1A 1 1 2 2371 4 2 1 HEC C1B C -0.199 -8.756 9.513 1.00 . D A . 71 HEC C1B 1 1 2 2372 4 2 1 HEC C1C C -1.644 -7.564 5.685 1.00 . D A . 71 HEC C1C 1 1 2 2373 4 2 1 HEC C1D C 1.024 -4.251 5.692 1.00 . D A . 71 HEC C1D 1 1 2 2374 4 2 1 HEC C2A C 3.273 -5.878 10.691 1.00 . D A . 71 HEC C2A 1 1 2 2375 4 2 1 HEC C2B C -1.065 -9.903 9.664 1.00 . D A . 71 HEC C2B 1 1 2 2376 4 2 1 HEC C2C C -2.247 -7.289 4.404 1.00 . D A . 71 HEC C2C 1 1 2 2377 4 2 1 HEC C2D C 1.925 -3.142 5.497 1.00 . D A . 71 HEC C2D 1 1 2 2378 4 2 1 HEC C3A C 2.509 -6.853 11.280 1.00 . D A . 71 HEC C3A 1 1 2 2379 4 2 1 HEC C3B C -1.904 -9.929 8.575 1.00 . D A . 71 HEC C3B 1 1 2 2380 4 2 1 HEC C3C C -1.723 -6.099 3.955 1.00 . D A . 71 HEC C3C 1 1 2 2381 4 2 1 HEC C3D C 2.689 -3.053 6.626 1.00 . D A . 71 HEC C3D 1 1 2 2382 4 2 1 HEC C4A C 1.536 -7.279 10.300 1.00 . D A . 71 HEC C4A 1 1 2 2383 4 2 1 HEC C4B C -1.424 -8.906 7.669 1.00 . D A . 71 HEC C4B 1 1 2 2384 4 2 1 HEC C4C C -0.726 -5.701 4.930 1.00 . D A . 71 HEC C4C 1 1 2 2385 4 2 1 HEC C4D C 2.332 -4.154 7.484 1.00 . D A . 71 HEC C4D 1 1 2 2386 4 2 1 HEC CAA C 4.678 -5.509 11.120 1.00 . D A . 71 HEC CAA 1 1 2 2387 4 2 1 HEC CAB C -3.250 -10.641 8.487 1.00 . D A . 71 HEC CAB 1 1 2 2388 4 2 1 HEC CAC C -2.042 -5.393 2.641 1.00 . D A . 71 HEC CAC 1 1 2 2389 4 2 1 HEC CAD C 3.791 -2.065 6.867 1.00 . D A . 71 HEC CAD 1 1 2 2390 4 2 1 HEC CBA C 5.654 -6.662 10.848 1.00 . D A . 71 HEC CBA 1 1 2 2391 4 2 1 HEC CBB C -4.149 -10.399 9.705 1.00 . D A . 71 HEC CBB 1 1 2 2392 4 2 1 HEC CBC C -3.517 -5.014 2.458 1.00 . D A . 71 HEC CBC 1 1 2 2393 4 2 1 HEC CBD C 5.150 -2.728 6.720 1.00 . D A . 71 HEC CBD 1 1 2 2394 4 2 1 HEC CGA C 7.114 -6.364 11.195 1.00 . D A . 71 HEC CGA 1 1 2 2395 4 2 1 HEC CGD C 6.266 -2.082 7.540 1.00 . D A . 71 HEC CGD 1 1 2 2396 4 2 1 HEC CHA C 2.972 -4.448 8.667 1.00 . D A . 71 HEC CHA 1 1 2 2397 4 2 1 HEC CHB C 0.704 -8.365 10.476 1.00 . D A . 71 HEC CHB 1 1 2 2398 4 2 1 HEC CHC C -1.982 -8.658 6.438 1.00 . D A . 71 HEC CHC 1 1 2 2399 4 2 1 HEC CHD C 0.080 -4.603 4.773 1.00 . D A . 71 HEC CHD 1 1 2 2400 4 2 1 HEC CMA C 2.678 -7.356 12.696 1.00 . D A . 71 HEC CMA 1 1 2 2401 4 2 1 HEC CMB C -1.046 -10.879 10.818 1.00 . D A . 71 HEC CMB 1 1 2 2402 4 2 1 HEC CMC C -3.260 -8.171 3.706 1.00 . D A . 71 HEC CMC 1 1 2 2403 4 2 1 HEC CMD C 2.026 -2.222 4.304 1.00 . D A . 71 HEC CMD 1 1 2 2404 4 2 1 HEC FE FE 0.451 -6.496 7.641 1.00 . D A . 71 HEC FE 1 1 2 2405 4 2 1 HEC HAA1 H 5.049 -4.641 10.577 1.00 . D A . 71 HEC HAA1 1 1 2 2406 4 2 1 HEC HAA2 H 4.690 -5.291 12.185 1.00 . D A . 71 HEC HAA2 1 1 2 2407 4 2 1 HEC HAB H -3.823 -10.235 7.658 1.00 . D A . 71 HEC HAB 1 1 2 2408 4 2 1 HEC HAC H -1.510 -4.450 2.571 1.00 . D A . 71 HEC HAC 1 1 2 2409 4 2 1 HEC HAD1 H 3.740 -1.198 6.212 1.00 . D A . 71 HEC HAD1 1 1 2 2410 4 2 1 HEC HAD2 H 3.685 -1.721 7.880 1.00 . D A . 71 HEC HAD2 1 1 2 2411 4 2 1 HEC HBA1 H 5.344 -7.520 11.444 1.00 . D A . 71 HEC HBA1 1 1 2 2412 4 2 1 HEC HBA2 H 5.581 -6.921 9.791 1.00 . D A . 71 HEC HBA2 1 1 2 2413 4 2 1 HEC HBB1 H -5.133 -10.831 9.518 1.00 . D A . 71 HEC HBB1 1 1 2 2414 4 2 1 HEC HBB2 H -3.738 -10.859 10.601 1.00 . D A . 71 HEC HBB2 1 1 2 2415 4 2 1 HEC HBB3 H -4.263 -9.327 9.871 1.00 . D A . 71 HEC HBB3 1 1 2 2416 4 2 1 HEC HBC1 H -3.834 -4.372 3.279 1.00 . D A . 71 HEC HBC1 1 1 2 2417 4 2 1 HEC HBC2 H -3.634 -4.472 1.517 1.00 . D A . 71 HEC HBC2 1 1 2 2418 4 2 1 HEC HBC3 H -4.159 -5.892 2.425 1.00 . D A . 71 HEC HBC3 1 1 2 2419 4 2 1 HEC HBD1 H 5.052 -3.763 7.029 1.00 . D A . 71 HEC HBD1 1 1 2 2420 4 2 1 HEC HBD2 H 5.418 -2.729 5.666 1.00 . D A . 71 HEC HBD2 1 1 2 2421 4 2 1 HEC HHA H 3.805 -3.830 8.960 1.00 . D A . 71 HEC HHA 1 1 2 2422 4 2 1 HEC HHB H 0.760 -8.932 11.383 1.00 . D A . 71 HEC HHB 1 1 2 2423 4 2 1 HEC HHC H -2.716 -9.332 6.047 1.00 . D A . 71 HEC HHC 1 1 2 2424 4 2 1 HEC HHD H 0.000 -4.016 3.883 1.00 . D A . 71 HEC HHD 1 1 2 2425 4 2 1 HEC HMA1 H 1.761 -7.817 13.060 1.00 . D A . 71 HEC HMA1 1 1 2 2426 4 2 1 HEC HMA2 H 3.507 -8.055 12.756 1.00 . D A . 71 HEC HMA2 1 1 2 2427 4 2 1 HEC HMA3 H 2.898 -6.504 13.339 1.00 . D A . 71 HEC HMA3 1 1 2 2428 4 2 1 HEC HMB1 H -1.606 -11.776 10.558 1.00 . D A . 71 HEC HMB1 1 1 2 2429 4 2 1 HEC HMB2 H -0.020 -11.171 11.031 1.00 . D A . 71 HEC HMB2 1 1 2 2430 4 2 1 HEC HMB3 H -1.490 -10.414 11.698 1.00 . D A . 71 HEC HMB3 1 1 2 2431 4 2 1 HEC HMC1 H -4.236 -8.041 4.174 1.00 . D A . 71 HEC HMC1 1 1 2 2432 4 2 1 HEC HMC2 H -3.326 -7.921 2.650 1.00 . D A . 71 HEC HMC2 1 1 2 2433 4 2 1 HEC HMC3 H -2.957 -9.214 3.778 1.00 . D A . 71 HEC HMC3 1 1 2 2434 4 2 1 HEC HMD1 H 1.472 -1.309 4.490 1.00 . D A . 71 HEC HMD1 1 1 2 2435 4 2 1 HEC HMD2 H 3.070 -1.958 4.151 1.00 . D A . 71 HEC HMD2 1 1 2 2436 4 2 1 HEC HMD3 H 1.643 -2.690 3.403 1.00 . D A . 71 HEC HMD3 1 1 2 2437 4 2 1 HEC NA N 1.602 -6.417 9.253 1.00 . D A . 71 HEC NA 1 1 2 2438 4 2 1 HEC NB N -0.440 -8.198 8.303 1.00 . D A . 71 HEC NB 1 1 2 2439 4 2 1 HEC NC N -0.738 -6.599 5.962 1.00 . D A . 71 HEC NC 1 1 2 2440 4 2 1 HEC ND N 1.318 -4.833 6.891 1.00 . D A . 71 HEC ND 1 1 2 2441 4 2 1 HEC O1A O 7.987 -7.100 10.673 1.00 . D A . 71 HEC O1A 1 1 2 2442 4 2 1 HEC O1D O 7.408 -2.261 7.064 1.00 . D A . 71 HEC O1D 1 1 2 2443 4 2 1 HEC O2A O 7.333 -5.458 12.034 1.00 . D A . 71 HEC O2A 1 1 2 2444 4 2 1 HEC O2D O 5.969 -1.479 8.605 1.00 . D A . 71 HEC O2D 1 1 3 2445 1 1 1 ALA C C 10.157 0.194 -9.782 1.00 . A A . 1 ALA C 1 1 3 2446 1 1 1 ALA CA C 11.480 -0.457 -10.178 1.00 . A A . 1 ALA CA 1 1 3 2447 1 1 1 ALA CB C 12.158 0.312 -11.319 1.00 . A A . 1 ALA CB 1 1 3 2448 1 1 1 ALA H1 H 10.523 -1.912 -11.305 1.00 . A A . 1 ALA H1 1 1 3 2449 1 1 1 ALA H2 H 12.070 -2.315 -10.888 1.00 . A A . 1 ALA H2 1 1 3 2450 1 1 1 ALA H3 H 10.851 -2.363 -9.771 1.00 . A A . 1 ALA H3 1 1 3 2451 1 1 1 ALA HA H 12.146 -0.447 -9.314 1.00 . A A . 1 ALA HA 1 1 3 2452 1 1 1 ALA HB1 H 12.313 1.348 -11.019 1.00 . A A . 1 ALA HB1 1 1 3 2453 1 1 1 ALA HB2 H 13.127 -0.137 -11.544 1.00 . A A . 1 ALA HB2 1 1 3 2454 1 1 1 ALA HB3 H 11.543 0.291 -12.220 1.00 . A A . 1 ALA HB3 1 1 3 2455 1 1 1 ALA N N 11.228 -1.865 -10.564 1.00 . A A . 1 ALA N 1 1 3 2456 1 1 1 ALA O O 9.966 0.652 -8.660 1.00 . A A . 1 ALA O 1 1 3 2457 1 1 2 ASP C C 7.467 -1.276 -9.569 1.00 . A A . 2 ASP C 1 1 3 2458 1 1 2 ASP CA C 7.795 -0.140 -10.561 1.00 . A A . 2 ASP CA 1 1 3 2459 1 1 2 ASP CB C 7.286 -0.497 -11.977 1.00 . A A . 2 ASP CB 1 1 3 2460 1 1 2 ASP CG C 8.039 -1.639 -12.677 1.00 . A A . 2 ASP CG 1 1 3 2461 1 1 2 ASP H H 9.532 -0.265 -11.607 1.00 . A A . 2 ASP H 1 1 3 2462 1 1 2 ASP HA H 7.300 0.771 -10.222 1.00 . A A . 2 ASP HA 1 1 3 2463 1 1 2 ASP HB2 H 6.239 -0.794 -11.920 1.00 . A A . 2 ASP HB2 1 1 3 2464 1 1 2 ASP HB3 H 7.361 0.384 -12.611 1.00 . A A . 2 ASP HB3 1 1 3 2465 1 1 2 ASP N N 9.218 0.109 -10.716 1.00 . A A . 2 ASP N 1 1 3 2466 1 1 2 ASP O O 6.752 -2.206 -9.919 1.00 . A A . 2 ASP O 1 1 3 2467 1 1 2 ASP OD1 O 9.220 -1.880 -12.307 1.00 . A A . 2 ASP OD1 1 1 3 2468 1 1 2 ASP OD2 O 7.465 -2.182 -13.641 1.00 . A A . 2 ASP OD2 1 1 3 2469 1 1 3 VAL C C 8.653 -1.708 -6.066 1.00 . A A . 3 VAL C 1 1 3 2470 1 1 3 VAL CA C 7.701 -2.087 -7.202 1.00 . A A . 3 VAL CA 1 1 3 2471 1 1 3 VAL CB C 7.791 -3.592 -7.559 1.00 . A A . 3 VAL CB 1 1 3 2472 1 1 3 VAL CG1 C 9.088 -3.975 -8.285 1.00 . A A . 3 VAL CG1 1 1 3 2473 1 1 3 VAL CG2 C 7.635 -4.487 -6.322 1.00 . A A . 3 VAL CG2 1 1 3 2474 1 1 3 VAL H H 8.580 -0.414 -8.117 1.00 . A A . 3 VAL H 1 1 3 2475 1 1 3 VAL HA H 6.691 -1.870 -6.872 1.00 . A A . 3 VAL HA 1 1 3 2476 1 1 3 VAL HB H 6.954 -3.854 -8.205 1.00 . A A . 3 VAL HB 1 1 3 2477 1 1 3 VAL HG11 H 9.957 -3.719 -7.679 1.00 . A A . 3 VAL HG11 1 1 3 2478 1 1 3 VAL HG12 H 9.095 -5.048 -8.473 1.00 . A A . 3 VAL HG12 1 1 3 2479 1 1 3 VAL HG13 H 9.146 -3.465 -9.245 1.00 . A A . 3 VAL HG13 1 1 3 2480 1 1 3 VAL HG21 H 6.717 -4.233 -5.793 1.00 . A A . 3 VAL HG21 1 1 3 2481 1 1 3 VAL HG22 H 7.573 -5.528 -6.637 1.00 . A A . 3 VAL HG22 1 1 3 2482 1 1 3 VAL HG23 H 8.484 -4.378 -5.648 1.00 . A A . 3 VAL HG23 1 1 3 2483 1 1 3 VAL N N 7.975 -1.200 -8.333 1.00 . A A . 3 VAL N 1 1 3 2484 1 1 3 VAL O O 9.826 -1.445 -6.324 1.00 . A A . 3 VAL O 1 1 3 2485 1 1 4 VAL C C 8.573 -2.699 -2.697 1.00 . A A . 4 VAL C 1 1 3 2486 1 1 4 VAL CA C 8.962 -1.555 -3.620 1.00 . A A . 4 VAL CA 1 1 3 2487 1 1 4 VAL CB C 8.751 -0.185 -2.946 1.00 . A A . 4 VAL CB 1 1 3 2488 1 1 4 VAL CG1 C 9.476 -0.069 -1.589 1.00 . A A . 4 VAL CG1 1 1 3 2489 1 1 4 VAL CG2 C 9.276 0.928 -3.855 1.00 . A A . 4 VAL CG2 1 1 3 2490 1 1 4 VAL H H 7.184 -1.947 -4.670 1.00 . A A . 4 VAL H 1 1 3 2491 1 1 4 VAL HA H 10.023 -1.657 -3.837 1.00 . A A . 4 VAL HA 1 1 3 2492 1 1 4 VAL HB H 7.685 -0.025 -2.797 1.00 . A A . 4 VAL HB 1 1 3 2493 1 1 4 VAL HG11 H 10.518 -0.374 -1.685 1.00 . A A . 4 VAL HG11 1 1 3 2494 1 1 4 VAL HG12 H 9.441 0.960 -1.232 1.00 . A A . 4 VAL HG12 1 1 3 2495 1 1 4 VAL HG13 H 9.008 -0.694 -0.827 1.00 . A A . 4 VAL HG13 1 1 3 2496 1 1 4 VAL HG21 H 9.131 1.892 -3.366 1.00 . A A . 4 VAL HG21 1 1 3 2497 1 1 4 VAL HG22 H 10.339 0.775 -4.040 1.00 . A A . 4 VAL HG22 1 1 3 2498 1 1 4 VAL HG23 H 8.737 0.931 -4.801 1.00 . A A . 4 VAL HG23 1 1 3 2499 1 1 4 VAL N N 8.155 -1.681 -4.826 1.00 . A A . 4 VAL N 1 1 3 2500 1 1 4 VAL O O 7.520 -3.320 -2.856 1.00 . A A . 4 VAL O 1 1 3 2501 1 1 5 THR C C 9.584 -2.929 0.722 1.00 . A A . 5 THR C 1 1 3 2502 1 1 5 THR CA C 9.041 -3.640 -0.513 1.00 . A A . 5 THR CA 1 1 3 2503 1 1 5 THR CB C 9.489 -5.102 -0.603 1.00 . A A . 5 THR CB 1 1 3 2504 1 1 5 THR CG2 C 10.884 -5.278 -1.222 1.00 . A A . 5 THR CG2 1 1 3 2505 1 1 5 THR H H 10.325 -2.506 -1.664 1.00 . A A . 5 THR H 1 1 3 2506 1 1 5 THR HA H 7.962 -3.528 -0.449 1.00 . A A . 5 THR HA 1 1 3 2507 1 1 5 THR HB H 8.784 -5.618 -1.241 1.00 . A A . 5 THR HB 1 1 3 2508 1 1 5 THR HG1 H 10.320 -5.279 1.075 1.00 . A A . 5 THR HG1 1 1 3 2509 1 1 5 THR HG21 H 11.201 -6.315 -1.118 1.00 . A A . 5 THR HG21 1 1 3 2510 1 1 5 THR HG22 H 10.865 -5.033 -2.285 1.00 . A A . 5 THR HG22 1 1 3 2511 1 1 5 THR HG23 H 11.614 -4.639 -0.723 1.00 . A A . 5 THR HG23 1 1 3 2512 1 1 5 THR N N 9.430 -2.959 -1.712 1.00 . A A . 5 THR N 1 1 3 2513 1 1 5 THR O O 10.677 -2.371 0.696 1.00 . A A . 5 THR O 1 1 3 2514 1 1 5 THR OG1 O 9.527 -5.663 0.685 1.00 . A A . 5 THR OG1 1 1 3 2515 1 1 6 TYR C C 10.166 -3.439 3.834 1.00 . A A . 6 TYR C 1 1 3 2516 1 1 6 TYR CA C 9.171 -2.508 3.129 1.00 . A A . 6 TYR CA 1 1 3 2517 1 1 6 TYR CB C 7.914 -2.313 3.982 1.00 . A A . 6 TYR CB 1 1 3 2518 1 1 6 TYR CD1 C 7.412 0.068 3.269 1.00 . A A . 6 TYR CD1 1 1 3 2519 1 1 6 TYR CD2 C 5.683 -1.623 3.016 1.00 . A A . 6 TYR CD2 1 1 3 2520 1 1 6 TYR CE1 C 6.587 1.007 2.629 1.00 . A A . 6 TYR CE1 1 1 3 2521 1 1 6 TYR CE2 C 4.849 -0.677 2.405 1.00 . A A . 6 TYR CE2 1 1 3 2522 1 1 6 TYR CG C 6.968 -1.258 3.446 1.00 . A A . 6 TYR CG 1 1 3 2523 1 1 6 TYR CZ C 5.282 0.648 2.254 1.00 . A A . 6 TYR CZ 1 1 3 2524 1 1 6 TYR H H 7.884 -3.393 1.659 1.00 . A A . 6 TYR H 1 1 3 2525 1 1 6 TYR HA H 9.651 -1.539 3.015 1.00 . A A . 6 TYR HA 1 1 3 2526 1 1 6 TYR HB2 H 7.397 -3.269 4.070 1.00 . A A . 6 TYR HB2 1 1 3 2527 1 1 6 TYR HB3 H 8.208 -2.014 4.988 1.00 . A A . 6 TYR HB3 1 1 3 2528 1 1 6 TYR HD1 H 8.405 0.357 3.577 1.00 . A A . 6 TYR HD1 1 1 3 2529 1 1 6 TYR HD2 H 5.343 -2.637 3.118 1.00 . A A . 6 TYR HD2 1 1 3 2530 1 1 6 TYR HE1 H 6.997 1.971 2.368 1.00 . A A . 6 TYR HE1 1 1 3 2531 1 1 6 TYR HE2 H 3.932 -0.999 1.946 1.00 . A A . 6 TYR HE2 1 1 3 2532 1 1 6 TYR HH H 4.927 2.382 1.488 1.00 . A A . 6 TYR HH 1 1 3 2533 1 1 6 TYR N N 8.796 -2.983 1.799 1.00 . A A . 6 TYR N 1 1 3 2534 1 1 6 TYR O O 10.974 -2.973 4.630 1.00 . A A . 6 TYR O 1 1 3 2535 1 1 6 TYR OH O 4.487 1.541 1.603 1.00 . A A . 6 TYR OH 1 1 3 2536 1 1 7 GLU C C 10.901 -5.879 5.613 1.00 . A A . 7 GLU C 1 1 3 2537 1 1 7 GLU CA C 10.951 -5.789 4.083 1.00 . A A . 7 GLU CA 1 1 3 2538 1 1 7 GLU CB C 12.365 -5.656 3.560 1.00 . A A . 7 GLU CB 1 1 3 2539 1 1 7 GLU CD C 13.889 -5.754 1.516 1.00 . A A . 7 GLU CD 1 1 3 2540 1 1 7 GLU CG C 12.457 -5.642 2.028 1.00 . A A . 7 GLU CG 1 1 3 2541 1 1 7 GLU H H 9.465 -5.029 2.822 1.00 . A A . 7 GLU H 1 1 3 2542 1 1 7 GLU HA H 10.592 -6.728 3.677 1.00 . A A . 7 GLU HA 1 1 3 2543 1 1 7 GLU HB2 H 12.759 -4.732 3.956 1.00 . A A . 7 GLU HB2 1 1 3 2544 1 1 7 GLU HB3 H 12.915 -6.503 3.959 1.00 . A A . 7 GLU HB3 1 1 3 2545 1 1 7 GLU HG2 H 11.903 -6.482 1.615 1.00 . A A . 7 GLU HG2 1 1 3 2546 1 1 7 GLU HG3 H 12.065 -4.695 1.659 1.00 . A A . 7 GLU HG3 1 1 3 2547 1 1 7 GLU N N 10.097 -4.745 3.543 1.00 . A A . 7 GLU N 1 1 3 2548 1 1 7 GLU O O 11.731 -5.328 6.331 1.00 . A A . 7 GLU O 1 1 3 2549 1 1 7 GLU OE1 O 14.793 -5.971 2.354 1.00 . A A . 7 GLU OE1 1 1 3 2550 1 1 7 GLU OE2 O 14.044 -5.629 0.283 1.00 . A A . 7 GLU OE2 1 1 3 2551 1 1 8 ASN C C 9.943 -8.053 8.093 1.00 . A A . 8 ASN C 1 1 3 2552 1 1 8 ASN CA C 9.526 -6.705 7.503 1.00 . A A . 8 ASN CA 1 1 3 2553 1 1 8 ASN CB C 8.011 -6.499 7.633 1.00 . A A . 8 ASN CB 1 1 3 2554 1 1 8 ASN CG C 7.483 -5.487 6.623 1.00 . A A . 8 ASN CG 1 1 3 2555 1 1 8 ASN H H 9.358 -7.117 5.419 1.00 . A A . 8 ASN H 1 1 3 2556 1 1 8 ASN HA H 10.022 -5.907 8.060 1.00 . A A . 8 ASN HA 1 1 3 2557 1 1 8 ASN HB2 H 7.494 -7.448 7.496 1.00 . A A . 8 ASN HB2 1 1 3 2558 1 1 8 ASN HB3 H 7.790 -6.126 8.631 1.00 . A A . 8 ASN HB3 1 1 3 2559 1 1 8 ASN HD21 H 6.588 -6.951 5.507 1.00 . A A . 8 ASN HD21 1 1 3 2560 1 1 8 ASN HD22 H 6.379 -5.284 4.964 1.00 . A A . 8 ASN HD22 1 1 3 2561 1 1 8 ASN N N 9.914 -6.631 6.096 1.00 . A A . 8 ASN N 1 1 3 2562 1 1 8 ASN ND2 N 6.770 -5.958 5.603 1.00 . A A . 8 ASN ND2 1 1 3 2563 1 1 8 ASN O O 10.324 -8.958 7.349 1.00 . A A . 8 ASN O 1 1 3 2564 1 1 8 ASN OD1 O 7.748 -4.299 6.723 1.00 . A A . 8 ASN OD1 1 1 3 2565 1 1 9 LYS C C 9.033 -10.460 9.892 1.00 . A A . 9 LYS C 1 1 3 2566 1 1 9 LYS CA C 10.166 -9.456 10.100 1.00 . A A . 9 LYS CA 1 1 3 2567 1 1 9 LYS CB C 10.417 -9.169 11.587 1.00 . A A . 9 LYS CB 1 1 3 2568 1 1 9 LYS CD C 12.019 -10.167 13.304 1.00 . A A . 9 LYS CD 1 1 3 2569 1 1 9 LYS CE C 13.344 -9.938 12.557 1.00 . A A . 9 LYS CE 1 1 3 2570 1 1 9 LYS CG C 10.824 -10.427 12.374 1.00 . A A . 9 LYS CG 1 1 3 2571 1 1 9 LYS H H 9.296 -7.538 9.966 1.00 . A A . 9 LYS H 1 1 3 2572 1 1 9 LYS HA H 11.083 -9.862 9.669 1.00 . A A . 9 LYS HA 1 1 3 2573 1 1 9 LYS HB2 H 11.184 -8.399 11.660 1.00 . A A . 9 LYS HB2 1 1 3 2574 1 1 9 LYS HB3 H 9.513 -8.761 12.042 1.00 . A A . 9 LYS HB3 1 1 3 2575 1 1 9 LYS HD2 H 11.797 -9.282 13.908 1.00 . A A . 9 LYS HD2 1 1 3 2576 1 1 9 LYS HD3 H 12.124 -11.010 13.991 1.00 . A A . 9 LYS HD3 1 1 3 2577 1 1 9 LYS HE2 H 13.258 -9.076 11.892 1.00 . A A . 9 LYS HE2 1 1 3 2578 1 1 9 LYS HE3 H 14.119 -9.716 13.293 1.00 . A A . 9 LYS HE3 1 1 3 2579 1 1 9 LYS HG2 H 9.969 -10.718 12.987 1.00 . A A . 9 LYS HG2 1 1 3 2580 1 1 9 LYS HG3 H 11.030 -11.260 11.702 1.00 . A A . 9 LYS HG3 1 1 3 2581 1 1 9 LYS HZ1 H 13.084 -11.306 11.043 1.00 . A A . 9 LYS HZ1 1 1 3 2582 1 1 9 LYS HZ2 H 14.655 -10.931 11.329 1.00 . A A . 9 LYS HZ2 1 1 3 2583 1 1 9 LYS HZ3 H 13.851 -11.925 12.364 1.00 . A A . 9 LYS HZ3 1 1 3 2584 1 1 9 LYS N N 9.838 -8.214 9.416 1.00 . A A . 9 LYS N 1 1 3 2585 1 1 9 LYS NZ N 13.762 -11.115 11.766 1.00 . A A . 9 LYS NZ 1 1 3 2586 1 1 9 LYS O O 9.289 -11.635 9.637 1.00 . A A . 9 LYS O 1 1 3 2587 1 1 10 LYS C C 6.718 -11.392 8.274 1.00 . A A . 10 LYS C 1 1 3 2588 1 1 10 LYS CA C 6.592 -10.771 9.663 1.00 . A A . 10 LYS CA 1 1 3 2589 1 1 10 LYS CB C 5.379 -9.836 9.778 1.00 . A A . 10 LYS CB 1 1 3 2590 1 1 10 LYS CD C 3.466 -11.358 8.827 1.00 . A A . 10 LYS CD 1 1 3 2591 1 1 10 LYS CE C 3.193 -11.961 10.209 1.00 . A A . 10 LYS CE 1 1 3 2592 1 1 10 LYS CG C 4.134 -9.977 8.892 1.00 . A A . 10 LYS CG 1 1 3 2593 1 1 10 LYS H H 7.691 -9.010 10.285 1.00 . A A . 10 LYS H 1 1 3 2594 1 1 10 LYS HA H 6.485 -11.580 10.386 1.00 . A A . 10 LYS HA 1 1 3 2595 1 1 10 LYS HB2 H 5.075 -9.820 10.824 1.00 . A A . 10 LYS HB2 1 1 3 2596 1 1 10 LYS HB3 H 5.758 -8.863 9.485 1.00 . A A . 10 LYS HB3 1 1 3 2597 1 1 10 LYS HD2 H 2.524 -11.232 8.284 1.00 . A A . 10 LYS HD2 1 1 3 2598 1 1 10 LYS HD3 H 4.089 -12.034 8.243 1.00 . A A . 10 LYS HD3 1 1 3 2599 1 1 10 LYS HE2 H 4.126 -12.031 10.771 1.00 . A A . 10 LYS HE2 1 1 3 2600 1 1 10 LYS HE3 H 2.507 -11.311 10.755 1.00 . A A . 10 LYS HE3 1 1 3 2601 1 1 10 LYS HG2 H 3.418 -9.220 9.234 1.00 . A A . 10 LYS HG2 1 1 3 2602 1 1 10 LYS HG3 H 4.407 -9.689 7.881 1.00 . A A . 10 LYS HG3 1 1 3 2603 1 1 10 LYS HZ1 H 3.269 -13.925 9.617 1.00 . A A . 10 LYS HZ1 1 1 3 2604 1 1 10 LYS HZ2 H 2.439 -13.695 11.018 1.00 . A A . 10 LYS HZ2 1 1 3 2605 1 1 10 LYS HZ3 H 1.752 -13.292 9.576 1.00 . A A . 10 LYS HZ3 1 1 3 2606 1 1 10 LYS N N 7.787 -9.992 9.997 1.00 . A A . 10 LYS N 1 1 3 2607 1 1 10 LYS NZ N 2.618 -13.317 10.097 1.00 . A A . 10 LYS NZ 1 1 3 2608 1 1 10 LYS O O 6.498 -12.590 8.100 1.00 . A A . 10 LYS O 1 1 3 2609 1 1 11 GLY C C 7.213 -9.731 5.028 1.00 . A A . 11 GLY C 1 1 3 2610 1 1 11 GLY CA C 7.113 -10.973 5.898 1.00 . A A . 11 GLY CA 1 1 3 2611 1 1 11 GLY H H 7.184 -9.586 7.497 1.00 . A A . 11 GLY H 1 1 3 2612 1 1 11 GLY HA2 H 7.992 -11.608 5.771 1.00 . A A . 11 GLY HA2 1 1 3 2613 1 1 11 GLY HA3 H 6.220 -11.529 5.616 1.00 . A A . 11 GLY HA3 1 1 3 2614 1 1 11 GLY N N 7.024 -10.559 7.282 1.00 . A A . 11 GLY N 1 1 3 2615 1 1 11 GLY O O 6.469 -8.766 5.247 1.00 . A A . 11 GLY O 1 1 3 2616 1 1 12 ASN C C 7.018 -8.362 2.428 1.00 . A A . 12 ASN C 1 1 3 2617 1 1 12 ASN CA C 8.351 -8.681 3.101 1.00 . A A . 12 ASN CA 1 1 3 2618 1 1 12 ASN CB C 9.375 -9.094 2.033 1.00 . A A . 12 ASN CB 1 1 3 2619 1 1 12 ASN CG C 10.806 -9.343 2.520 1.00 . A A . 12 ASN CG 1 1 3 2620 1 1 12 ASN H H 8.680 -10.599 3.947 1.00 . A A . 12 ASN H 1 1 3 2621 1 1 12 ASN HA H 8.724 -7.791 3.612 1.00 . A A . 12 ASN HA 1 1 3 2622 1 1 12 ASN HB2 H 9.018 -9.992 1.530 1.00 . A A . 12 ASN HB2 1 1 3 2623 1 1 12 ASN HB3 H 9.426 -8.300 1.286 1.00 . A A . 12 ASN HB3 1 1 3 2624 1 1 12 ASN HD21 H 10.370 -9.146 4.526 1.00 . A A . 12 ASN HD21 1 1 3 2625 1 1 12 ASN HD22 H 12.036 -9.456 4.097 1.00 . A A . 12 ASN HD22 1 1 3 2626 1 1 12 ASN N N 8.143 -9.752 4.069 1.00 . A A . 12 ASN N 1 1 3 2627 1 1 12 ASN ND2 N 11.074 -9.317 3.825 1.00 . A A . 12 ASN ND2 1 1 3 2628 1 1 12 ASN O O 6.350 -9.262 1.917 1.00 . A A . 12 ASN O 1 1 3 2629 1 1 12 ASN OD1 O 11.689 -9.583 1.705 1.00 . A A . 12 ASN OD1 1 1 3 2630 1 1 13 VAL C C 5.874 -6.107 0.418 1.00 . A A . 13 VAL C 1 1 3 2631 1 1 13 VAL CA C 5.441 -6.599 1.785 1.00 . A A . 13 VAL CA 1 1 3 2632 1 1 13 VAL CB C 4.799 -5.463 2.594 1.00 . A A . 13 VAL CB 1 1 3 2633 1 1 13 VAL CG1 C 3.806 -4.658 1.744 1.00 . A A . 13 VAL CG1 1 1 3 2634 1 1 13 VAL CG2 C 4.069 -6.054 3.794 1.00 . A A . 13 VAL CG2 1 1 3 2635 1 1 13 VAL H H 7.248 -6.406 2.861 1.00 . A A . 13 VAL H 1 1 3 2636 1 1 13 VAL HA H 4.705 -7.390 1.671 1.00 . A A . 13 VAL HA 1 1 3 2637 1 1 13 VAL HB H 5.585 -4.800 2.961 1.00 . A A . 13 VAL HB 1 1 3 2638 1 1 13 VAL HG11 H 3.337 -5.301 1.001 1.00 . A A . 13 VAL HG11 1 1 3 2639 1 1 13 VAL HG12 H 3.027 -4.237 2.374 1.00 . A A . 13 VAL HG12 1 1 3 2640 1 1 13 VAL HG13 H 4.326 -3.844 1.238 1.00 . A A . 13 VAL HG13 1 1 3 2641 1 1 13 VAL HG21 H 4.732 -6.753 4.289 1.00 . A A . 13 VAL HG21 1 1 3 2642 1 1 13 VAL HG22 H 3.810 -5.260 4.490 1.00 . A A . 13 VAL HG22 1 1 3 2643 1 1 13 VAL HG23 H 3.166 -6.576 3.476 1.00 . A A . 13 VAL HG23 1 1 3 2644 1 1 13 VAL N N 6.626 -7.091 2.464 1.00 . A A . 13 VAL N 1 1 3 2645 1 1 13 VAL O O 6.431 -5.020 0.331 1.00 . A A . 13 VAL O 1 1 3 2646 1 1 14 THR C C 4.610 -5.546 -2.382 1.00 . A A . 14 THR C 1 1 3 2647 1 1 14 THR CA C 5.814 -6.399 -1.991 1.00 . A A . 14 THR CA 1 1 3 2648 1 1 14 THR CB C 6.013 -7.593 -2.930 1.00 . A A . 14 THR CB 1 1 3 2649 1 1 14 THR CG2 C 6.489 -7.147 -4.314 1.00 . A A . 14 THR CG2 1 1 3 2650 1 1 14 THR H H 5.081 -7.731 -0.502 1.00 . A A . 14 THR H 1 1 3 2651 1 1 14 THR HA H 6.710 -5.782 -2.034 1.00 . A A . 14 THR HA 1 1 3 2652 1 1 14 THR HB H 5.074 -8.140 -3.032 1.00 . A A . 14 THR HB 1 1 3 2653 1 1 14 THR HG1 H 7.703 -7.926 -2.016 1.00 . A A . 14 THR HG1 1 1 3 2654 1 1 14 THR HG21 H 6.657 -8.025 -4.938 1.00 . A A . 14 THR HG21 1 1 3 2655 1 1 14 THR HG22 H 5.735 -6.520 -4.789 1.00 . A A . 14 THR HG22 1 1 3 2656 1 1 14 THR HG23 H 7.421 -6.589 -4.227 1.00 . A A . 14 THR HG23 1 1 3 2657 1 1 14 THR N N 5.609 -6.875 -0.634 1.00 . A A . 14 THR N 1 1 3 2658 1 1 14 THR O O 3.472 -5.956 -2.153 1.00 . A A . 14 THR O 1 1 3 2659 1 1 14 THR OG1 O 6.988 -8.456 -2.378 1.00 . A A . 14 THR OG1 1 1 3 2660 1 1 15 PHE C C 4.216 -2.754 -4.663 1.00 . A A . 15 PHE C 1 1 3 2661 1 1 15 PHE CA C 3.764 -3.504 -3.418 1.00 . A A . 15 PHE CA 1 1 3 2662 1 1 15 PHE CB C 3.297 -2.569 -2.299 1.00 . A A . 15 PHE CB 1 1 3 2663 1 1 15 PHE CD1 C 5.341 -1.816 -1.009 1.00 . A A . 15 PHE CD1 1 1 3 2664 1 1 15 PHE CD2 C 4.048 -0.158 -2.238 1.00 . A A . 15 PHE CD2 1 1 3 2665 1 1 15 PHE CE1 C 6.164 -0.799 -0.503 1.00 . A A . 15 PHE CE1 1 1 3 2666 1 1 15 PHE CE2 C 4.864 0.861 -1.723 1.00 . A A . 15 PHE CE2 1 1 3 2667 1 1 15 PHE CG C 4.274 -1.497 -1.869 1.00 . A A . 15 PHE CG 1 1 3 2668 1 1 15 PHE CZ C 5.915 0.540 -0.849 1.00 . A A . 15 PHE CZ 1 1 3 2669 1 1 15 PHE H H 5.791 -4.013 -3.068 1.00 . A A . 15 PHE H 1 1 3 2670 1 1 15 PHE HA H 2.913 -4.127 -3.698 1.00 . A A . 15 PHE HA 1 1 3 2671 1 1 15 PHE HB2 H 2.374 -2.081 -2.612 1.00 . A A . 15 PHE HB2 1 1 3 2672 1 1 15 PHE HB3 H 3.074 -3.186 -1.434 1.00 . A A . 15 PHE HB3 1 1 3 2673 1 1 15 PHE HD1 H 5.519 -2.841 -0.719 1.00 . A A . 15 PHE HD1 1 1 3 2674 1 1 15 PHE HD2 H 3.235 0.101 -2.901 1.00 . A A . 15 PHE HD2 1 1 3 2675 1 1 15 PHE HE1 H 6.928 -1.032 0.222 1.00 . A A . 15 PHE HE1 1 1 3 2676 1 1 15 PHE HE2 H 4.650 1.892 -1.964 1.00 . A A . 15 PHE HE2 1 1 3 2677 1 1 15 PHE HZ H 6.480 1.323 -0.372 1.00 . A A . 15 PHE HZ 1 1 3 2678 1 1 15 PHE N N 4.840 -4.359 -2.947 1.00 . A A . 15 PHE N 1 1 3 2679 1 1 15 PHE O O 5.360 -2.302 -4.742 1.00 . A A . 15 PHE O 1 1 3 2680 1 1 16 ASP C C 3.528 -0.406 -6.507 1.00 . A A . 16 ASP C 1 1 3 2681 1 1 16 ASP CA C 3.584 -1.897 -6.856 1.00 . A A . 16 ASP CA 1 1 3 2682 1 1 16 ASP CB C 2.599 -2.292 -7.962 1.00 . A A . 16 ASP CB 1 1 3 2683 1 1 16 ASP CG C 3.134 -1.997 -9.363 1.00 . A A . 16 ASP CG 1 1 3 2684 1 1 16 ASP H H 2.396 -3.034 -5.519 1.00 . A A . 16 ASP H 1 1 3 2685 1 1 16 ASP HA H 4.578 -2.152 -7.215 1.00 . A A . 16 ASP HA 1 1 3 2686 1 1 16 ASP HB2 H 2.420 -3.367 -7.909 1.00 . A A . 16 ASP HB2 1 1 3 2687 1 1 16 ASP HB3 H 1.654 -1.780 -7.815 1.00 . A A . 16 ASP HB3 1 1 3 2688 1 1 16 ASP N N 3.324 -2.664 -5.652 1.00 . A A . 16 ASP N 1 1 3 2689 1 1 16 ASP O O 3.051 -0.024 -5.438 1.00 . A A . 16 ASP O 1 1 3 2690 1 1 16 ASP OD1 O 3.461 -0.816 -9.629 1.00 . A A . 16 ASP OD1 1 1 3 2691 1 1 16 ASP OD2 O 3.151 -2.948 -10.167 1.00 . A A . 16 ASP OD2 1 1 3 2692 1 1 17 HIS C C 3.503 2.461 -8.561 1.00 . A A . 17 HIS C 1 1 3 2693 1 1 17 HIS CA C 4.096 1.867 -7.284 1.00 . A A . 17 HIS CA 1 1 3 2694 1 1 17 HIS CB C 5.573 2.233 -7.048 1.00 . A A . 17 HIS CB 1 1 3 2695 1 1 17 HIS CD2 C 4.936 4.584 -6.231 1.00 . A A . 17 HIS CD2 1 1 3 2696 1 1 17 HIS CE1 C 6.931 5.441 -5.975 1.00 . A A . 17 HIS CE1 1 1 3 2697 1 1 17 HIS CG C 5.848 3.668 -6.680 1.00 . A A . 17 HIS CG 1 1 3 2698 1 1 17 HIS H H 4.174 0.020 -8.337 1.00 . A A . 17 HIS H 1 1 3 2699 1 1 17 HIS HA H 3.496 2.191 -6.432 1.00 . A A . 17 HIS HA 1 1 3 2700 1 1 17 HIS HB2 H 5.932 1.630 -6.213 1.00 . A A . 17 HIS HB2 1 1 3 2701 1 1 17 HIS HB3 H 6.173 1.975 -7.920 1.00 . A A . 17 HIS HB3 1 1 3 2702 1 1 17 HIS HD1 H 7.982 3.770 -6.702 1.00 . A A . 17 HIS HD1 1 1 3 2703 1 1 17 HIS HD2 H 3.872 4.434 -6.176 1.00 . A A . 17 HIS HD2 1 1 3 2704 1 1 17 HIS HE1 H 7.738 6.100 -5.703 1.00 . A A . 17 HIS HE1 1 1 3 2705 1 1 17 HIS N N 4.016 0.428 -7.416 1.00 . A A . 17 HIS N 1 1 3 2706 1 1 17 HIS ND1 N 7.098 4.219 -6.511 1.00 . A A . 17 HIS ND1 1 1 3 2707 1 1 17 HIS NE2 N 5.631 5.707 -5.775 1.00 . A A . 17 HIS NE2 1 1 3 2708 1 1 17 HIS O O 2.432 3.067 -8.542 1.00 . A A . 17 HIS O 1 1 3 2709 1 1 18 LYS C C 2.312 2.182 -11.282 1.00 . A A . 18 LYS C 1 1 3 2710 1 1 18 LYS CA C 3.765 2.576 -11.025 1.00 . A A . 18 LYS CA 1 1 3 2711 1 1 18 LYS CB C 4.701 1.882 -12.022 1.00 . A A . 18 LYS CB 1 1 3 2712 1 1 18 LYS CD C 5.281 1.608 -14.467 1.00 . A A . 18 LYS CD 1 1 3 2713 1 1 18 LYS CE C 4.855 1.872 -15.919 1.00 . A A . 18 LYS CE 1 1 3 2714 1 1 18 LYS CG C 4.193 2.011 -13.461 1.00 . A A . 18 LYS CG 1 1 3 2715 1 1 18 LYS H H 5.004 1.635 -9.604 1.00 . A A . 18 LYS H 1 1 3 2716 1 1 18 LYS HA H 3.862 3.656 -11.144 1.00 . A A . 18 LYS HA 1 1 3 2717 1 1 18 LYS HB2 H 5.693 2.326 -11.932 1.00 . A A . 18 LYS HB2 1 1 3 2718 1 1 18 LYS HB3 H 4.756 0.823 -11.775 1.00 . A A . 18 LYS HB3 1 1 3 2719 1 1 18 LYS HD2 H 6.182 2.192 -14.265 1.00 . A A . 18 LYS HD2 1 1 3 2720 1 1 18 LYS HD3 H 5.525 0.551 -14.330 1.00 . A A . 18 LYS HD3 1 1 3 2721 1 1 18 LYS HE2 H 4.722 2.948 -16.061 1.00 . A A . 18 LYS HE2 1 1 3 2722 1 1 18 LYS HE3 H 5.647 1.529 -16.587 1.00 . A A . 18 LYS HE3 1 1 3 2723 1 1 18 LYS HG2 H 3.322 1.366 -13.588 1.00 . A A . 18 LYS HG2 1 1 3 2724 1 1 18 LYS HG3 H 3.880 3.041 -13.615 1.00 . A A . 18 LYS HG3 1 1 3 2725 1 1 18 LYS HZ1 H 3.360 1.319 -17.247 1.00 . A A . 18 LYS HZ1 1 1 3 2726 1 1 18 LYS HZ2 H 3.579 0.222 -16.035 1.00 . A A . 18 LYS HZ2 1 1 3 2727 1 1 18 LYS HZ3 H 2.822 1.649 -15.771 1.00 . A A . 18 LYS HZ3 1 1 3 2728 1 1 18 LYS N N 4.183 2.214 -9.683 1.00 . A A . 18 LYS N 1 1 3 2729 1 1 18 LYS NZ N 3.588 1.201 -16.274 1.00 . A A . 18 LYS NZ 1 1 3 2730 1 1 18 LYS O O 1.508 3.012 -11.689 1.00 . A A . 18 LYS O 1 1 3 2731 1 1 19 ALA C C -0.400 1.228 -10.619 1.00 . A A . 19 ALA C 1 1 3 2732 1 1 19 ALA CA C 0.644 0.404 -11.356 1.00 . A A . 19 ALA CA 1 1 3 2733 1 1 19 ALA CB C 0.523 -1.039 -10.900 1.00 . A A . 19 ALA CB 1 1 3 2734 1 1 19 ALA H H 2.693 0.271 -10.724 1.00 . A A . 19 ALA H 1 1 3 2735 1 1 19 ALA HA H 0.460 0.448 -12.430 1.00 . A A . 19 ALA HA 1 1 3 2736 1 1 19 ALA HB1 H 0.682 -1.055 -9.824 1.00 . A A . 19 ALA HB1 1 1 3 2737 1 1 19 ALA HB2 H -0.480 -1.403 -11.120 1.00 . A A . 19 ALA HB2 1 1 3 2738 1 1 19 ALA HB3 H 1.259 -1.654 -11.414 1.00 . A A . 19 ALA HB3 1 1 3 2739 1 1 19 ALA N N 1.979 0.909 -11.081 1.00 . A A . 19 ALA N 1 1 3 2740 1 1 19 ALA O O -1.288 1.798 -11.243 1.00 . A A . 19 ALA O 1 1 3 2741 1 1 20 HIS C C -1.248 3.504 -9.048 1.00 . A A . 20 HIS C 1 1 3 2742 1 1 20 HIS CA C -1.226 2.074 -8.492 1.00 . A A . 20 HIS CA 1 1 3 2743 1 1 20 HIS CB C -0.858 2.051 -6.997 1.00 . A A . 20 HIS CB 1 1 3 2744 1 1 20 HIS CD2 C -1.840 0.536 -5.145 1.00 . A A . 20 HIS CD2 1 1 3 2745 1 1 20 HIS CE1 C -0.971 -1.382 -5.702 1.00 . A A . 20 HIS CE1 1 1 3 2746 1 1 20 HIS CG C -1.076 0.735 -6.271 1.00 . A A . 20 HIS CG 1 1 3 2747 1 1 20 HIS H H 0.549 0.937 -8.857 1.00 . A A . 20 HIS H 1 1 3 2748 1 1 20 HIS HA H -2.221 1.644 -8.605 1.00 . A A . 20 HIS HA 1 1 3 2749 1 1 20 HIS HB2 H 0.184 2.353 -6.871 1.00 . A A . 20 HIS HB2 1 1 3 2750 1 1 20 HIS HB3 H -1.489 2.795 -6.513 1.00 . A A . 20 HIS HB3 1 1 3 2751 1 1 20 HIS HD1 H 0.054 -0.679 -7.396 1.00 . A A . 20 HIS HD1 1 1 3 2752 1 1 20 HIS HD2 H -2.412 1.300 -4.648 1.00 . A A . 20 HIS HD2 1 1 3 2753 1 1 20 HIS HE1 H -0.740 -2.432 -5.753 1.00 . A A . 20 HIS HE1 1 1 3 2754 1 1 20 HIS N N -0.288 1.297 -9.288 1.00 . A A . 20 HIS N 1 1 3 2755 1 1 20 HIS ND1 N -0.530 -0.482 -6.599 1.00 . A A . 20 HIS ND1 1 1 3 2756 1 1 20 HIS NE2 N -1.783 -0.821 -4.789 1.00 . A A . 20 HIS NE2 1 1 3 2757 1 1 20 HIS O O -2.308 4.114 -9.176 1.00 . A A . 20 HIS O 1 1 3 2758 1 1 21 ALA C C -0.825 5.564 -11.198 1.00 . A A . 21 ALA C 1 1 3 2759 1 1 21 ALA CA C 0.024 5.380 -9.941 1.00 . A A . 21 ALA CA 1 1 3 2760 1 1 21 ALA CB C 1.474 5.796 -10.193 1.00 . A A . 21 ALA CB 1 1 3 2761 1 1 21 ALA H H 0.748 3.419 -9.383 1.00 . A A . 21 ALA H 1 1 3 2762 1 1 21 ALA HA H -0.373 6.053 -9.179 1.00 . A A . 21 ALA HA 1 1 3 2763 1 1 21 ALA HB1 H 1.479 6.858 -10.436 1.00 . A A . 21 ALA HB1 1 1 3 2764 1 1 21 ALA HB2 H 2.082 5.610 -9.309 1.00 . A A . 21 ALA HB2 1 1 3 2765 1 1 21 ALA HB3 H 1.901 5.264 -11.037 1.00 . A A . 21 ALA HB3 1 1 3 2766 1 1 21 ALA N N -0.075 4.023 -9.421 1.00 . A A . 21 ALA N 1 1 3 2767 1 1 21 ALA O O -1.656 6.452 -11.243 1.00 . A A . 21 ALA O 1 1 3 2768 1 1 22 GLU C C -2.791 4.538 -13.421 1.00 . A A . 22 GLU C 1 1 3 2769 1 1 22 GLU CA C -1.321 4.941 -13.505 1.00 . A A . 22 GLU CA 1 1 3 2770 1 1 22 GLU CB C -0.549 4.260 -14.642 1.00 . A A . 22 GLU CB 1 1 3 2771 1 1 22 GLU CD C 0.870 2.249 -15.244 1.00 . A A . 22 GLU CD 1 1 3 2772 1 1 22 GLU CG C -0.369 2.740 -14.507 1.00 . A A . 22 GLU CG 1 1 3 2773 1 1 22 GLU H H -0.009 3.981 -12.090 1.00 . A A . 22 GLU H 1 1 3 2774 1 1 22 GLU HA H -1.303 6.009 -13.733 1.00 . A A . 22 GLU HA 1 1 3 2775 1 1 22 GLU HB2 H -1.053 4.462 -15.587 1.00 . A A . 22 GLU HB2 1 1 3 2776 1 1 22 GLU HB3 H 0.428 4.741 -14.669 1.00 . A A . 22 GLU HB3 1 1 3 2777 1 1 22 GLU HG2 H -0.240 2.464 -13.467 1.00 . A A . 22 GLU HG2 1 1 3 2778 1 1 22 GLU HG3 H -1.251 2.228 -14.894 1.00 . A A . 22 GLU HG3 1 1 3 2779 1 1 22 GLU N N -0.642 4.750 -12.227 1.00 . A A . 22 GLU N 1 1 3 2780 1 1 22 GLU O O -3.651 5.211 -13.983 1.00 . A A . 22 GLU O 1 1 3 2781 1 1 22 GLU OE1 O 1.902 2.953 -15.243 1.00 . A A . 22 GLU OE1 1 1 3 2782 1 1 22 GLU OE2 O 0.873 1.127 -15.787 1.00 . A A . 22 GLU OE2 1 1 3 2783 1 1 23 LYS C C -5.251 4.133 -11.775 1.00 . A A . 23 LYS C 1 1 3 2784 1 1 23 LYS CA C -4.437 3.011 -12.421 1.00 . A A . 23 LYS CA 1 1 3 2785 1 1 23 LYS CB C -4.363 1.787 -11.500 1.00 . A A . 23 LYS CB 1 1 3 2786 1 1 23 LYS CD C -4.641 -0.198 -13.054 1.00 . A A . 23 LYS CD 1 1 3 2787 1 1 23 LYS CE C -5.722 -0.871 -12.188 1.00 . A A . 23 LYS CE 1 1 3 2788 1 1 23 LYS CG C -3.672 0.601 -12.191 1.00 . A A . 23 LYS CG 1 1 3 2789 1 1 23 LYS H H -2.328 2.901 -12.309 1.00 . A A . 23 LYS H 1 1 3 2790 1 1 23 LYS HA H -4.921 2.741 -13.359 1.00 . A A . 23 LYS HA 1 1 3 2791 1 1 23 LYS HB2 H -3.787 2.053 -10.614 1.00 . A A . 23 LYS HB2 1 1 3 2792 1 1 23 LYS HB3 H -5.365 1.515 -11.171 1.00 . A A . 23 LYS HB3 1 1 3 2793 1 1 23 LYS HD2 H -5.079 0.500 -13.766 1.00 . A A . 23 LYS HD2 1 1 3 2794 1 1 23 LYS HD3 H -4.042 -0.937 -13.587 1.00 . A A . 23 LYS HD3 1 1 3 2795 1 1 23 LYS HE2 H -5.337 -1.005 -11.175 1.00 . A A . 23 LYS HE2 1 1 3 2796 1 1 23 LYS HE3 H -6.607 -0.236 -12.133 1.00 . A A . 23 LYS HE3 1 1 3 2797 1 1 23 LYS HG2 H -2.870 0.947 -12.848 1.00 . A A . 23 LYS HG2 1 1 3 2798 1 1 23 LYS HG3 H -3.228 -0.050 -11.436 1.00 . A A . 23 LYS HG3 1 1 3 2799 1 1 23 LYS HZ1 H -5.324 -2.868 -12.539 1.00 . A A . 23 LYS HZ1 1 1 3 2800 1 1 23 LYS HZ2 H -6.749 -2.614 -11.970 1.00 . A A . 23 LYS HZ2 1 1 3 2801 1 1 23 LYS HZ3 H -6.489 -2.252 -13.591 1.00 . A A . 23 LYS HZ3 1 1 3 2802 1 1 23 LYS N N -3.085 3.451 -12.703 1.00 . A A . 23 LYS N 1 1 3 2803 1 1 23 LYS NZ N -6.105 -2.215 -12.662 1.00 . A A . 23 LYS NZ 1 1 3 2804 1 1 23 LYS O O -6.328 4.470 -12.261 1.00 . A A . 23 LYS O 1 1 3 2805 1 1 24 LEU C C -5.210 7.096 -10.471 1.00 . A A . 24 LEU C 1 1 3 2806 1 1 24 LEU CA C -5.484 5.699 -9.917 1.00 . A A . 24 LEU CA 1 1 3 2807 1 1 24 LEU CB C -5.068 5.678 -8.447 1.00 . A A . 24 LEU CB 1 1 3 2808 1 1 24 LEU CD1 C -7.054 4.644 -7.275 1.00 . A A . 24 LEU CD1 1 1 3 2809 1 1 24 LEU CD2 C -5.278 3.094 -8.132 1.00 . A A . 24 LEU CD2 1 1 3 2810 1 1 24 LEU CG C -5.564 4.500 -7.601 1.00 . A A . 24 LEU CG 1 1 3 2811 1 1 24 LEU H H -3.893 4.317 -10.269 1.00 . A A . 24 LEU H 1 1 3 2812 1 1 24 LEU HA H -6.557 5.521 -9.975 1.00 . A A . 24 LEU HA 1 1 3 2813 1 1 24 LEU HB2 H -3.983 5.738 -8.373 1.00 . A A . 24 LEU HB2 1 1 3 2814 1 1 24 LEU HB3 H -5.474 6.587 -8.000 1.00 . A A . 24 LEU HB3 1 1 3 2815 1 1 24 LEU HD11 H -7.649 4.612 -8.186 1.00 . A A . 24 LEU HD11 1 1 3 2816 1 1 24 LEU HD12 H -7.372 3.829 -6.626 1.00 . A A . 24 LEU HD12 1 1 3 2817 1 1 24 LEU HD13 H -7.226 5.591 -6.762 1.00 . A A . 24 LEU HD13 1 1 3 2818 1 1 24 LEU HD21 H -4.208 2.972 -8.279 1.00 . A A . 24 LEU HD21 1 1 3 2819 1 1 24 LEU HD22 H -5.596 2.358 -7.394 1.00 . A A . 24 LEU HD22 1 1 3 2820 1 1 24 LEU HD23 H -5.815 2.911 -9.061 1.00 . A A . 24 LEU HD23 1 1 3 2821 1 1 24 LEU HG H -4.989 4.588 -6.689 1.00 . A A . 24 LEU HG 1 1 3 2822 1 1 24 LEU N N -4.760 4.678 -10.660 1.00 . A A . 24 LEU N 1 1 3 2823 1 1 24 LEU O O -6.139 7.835 -10.786 1.00 . A A . 24 LEU O 1 1 3 2824 1 1 25 GLY C C -2.174 9.135 -10.124 1.00 . A A . 25 GLY C 1 1 3 2825 1 1 25 GLY CA C -3.484 8.823 -10.838 1.00 . A A . 25 GLY CA 1 1 3 2826 1 1 25 GLY H H -3.195 6.788 -10.393 1.00 . A A . 25 GLY H 1 1 3 2827 1 1 25 GLY HA2 H -3.294 8.860 -11.901 1.00 . A A . 25 GLY HA2 1 1 3 2828 1 1 25 GLY HA3 H -4.229 9.575 -10.575 1.00 . A A . 25 GLY HA3 1 1 3 2829 1 1 25 GLY N N -3.934 7.484 -10.501 1.00 . A A . 25 GLY N 1 1 3 2830 1 1 25 GLY O O -1.109 9.115 -10.734 1.00 . A A . 25 GLY O 1 1 3 2831 1 1 26 CYS C C -1.816 10.208 -6.580 1.00 . A A . 26 CYS C 1 1 3 2832 1 1 26 CYS CA C -1.189 9.810 -7.916 1.00 . A A . 26 CYS CA 1 1 3 2833 1 1 26 CYS CB C -0.365 10.969 -8.456 1.00 . A A . 26 CYS CB 1 1 3 2834 1 1 26 CYS H H -3.214 9.382 -8.460 1.00 . A A . 26 CYS H 1 1 3 2835 1 1 26 CYS HA H -0.561 8.938 -7.752 1.00 . A A . 26 CYS HA 1 1 3 2836 1 1 26 CYS HB2 H -0.421 11.073 -9.535 1.00 . A A . 26 CYS HB2 1 1 3 2837 1 1 26 CYS HB3 H -0.728 11.907 -8.035 1.00 . A A . 26 CYS HB3 1 1 3 2838 1 1 26 CYS N N -2.274 9.419 -8.826 1.00 . A A . 26 CYS N 1 1 3 2839 1 1 26 CYS O O -1.365 9.800 -5.507 1.00 . A A . 26 CYS O 1 1 3 2840 1 1 26 CYS SG S 1.382 10.789 -7.995 1.00 . A A . 26 CYS SG 1 1 3 2841 1 1 27 ASP C C -4.015 10.470 -4.610 1.00 . A A . 27 ASP C 1 1 3 2842 1 1 27 ASP CA C -3.806 11.512 -5.692 1.00 . A A . 27 ASP CA 1 1 3 2843 1 1 27 ASP CB C -5.171 11.846 -6.339 1.00 . A A . 27 ASP CB 1 1 3 2844 1 1 27 ASP CG C -5.096 12.419 -7.752 1.00 . A A . 27 ASP CG 1 1 3 2845 1 1 27 ASP H H -3.232 11.149 -7.646 1.00 . A A . 27 ASP H 1 1 3 2846 1 1 27 ASP HA H -3.362 12.417 -5.274 1.00 . A A . 27 ASP HA 1 1 3 2847 1 1 27 ASP HB2 H -5.780 10.945 -6.415 1.00 . A A . 27 ASP HB2 1 1 3 2848 1 1 27 ASP HB3 H -5.698 12.549 -5.695 1.00 . A A . 27 ASP HB3 1 1 3 2849 1 1 27 ASP N N -2.908 10.970 -6.701 1.00 . A A . 27 ASP N 1 1 3 2850 1 1 27 ASP O O -3.953 10.761 -3.420 1.00 . A A . 27 ASP O 1 1 3 2851 1 1 27 ASP OD1 O -4.550 11.687 -8.614 1.00 . A A . 27 ASP OD1 1 1 3 2852 1 1 27 ASP OD2 O -5.583 13.551 -7.947 1.00 . A A . 27 ASP OD2 1 1 3 2853 1 1 28 ALA C C -3.468 8.040 -3.042 1.00 . A A . 28 ALA C 1 1 3 2854 1 1 28 ALA CA C -4.308 8.016 -4.319 1.00 . A A . 28 ALA CA 1 1 3 2855 1 1 28 ALA CB C -3.843 6.872 -5.217 1.00 . A A . 28 ALA CB 1 1 3 2856 1 1 28 ALA H H -4.271 9.167 -6.098 1.00 . A A . 28 ALA H 1 1 3 2857 1 1 28 ALA HA H -5.356 7.877 -4.072 1.00 . A A . 28 ALA HA 1 1 3 2858 1 1 28 ALA HB1 H -2.853 7.092 -5.616 1.00 . A A . 28 ALA HB1 1 1 3 2859 1 1 28 ALA HB2 H -3.808 5.938 -4.659 1.00 . A A . 28 ALA HB2 1 1 3 2860 1 1 28 ALA HB3 H -4.543 6.778 -6.040 1.00 . A A . 28 ALA HB3 1 1 3 2861 1 1 28 ALA N N -4.233 9.241 -5.088 1.00 . A A . 28 ALA N 1 1 3 2862 1 1 28 ALA O O -3.960 7.682 -1.973 1.00 . A A . 28 ALA O 1 1 3 2863 1 1 29 CYS C C -0.461 9.671 -1.919 1.00 . A A . 29 CYS C 1 1 3 2864 1 1 29 CYS CA C -1.204 8.341 -2.110 1.00 . A A . 29 CYS CA 1 1 3 2865 1 1 29 CYS CB C -0.236 7.226 -2.404 1.00 . A A . 29 CYS CB 1 1 3 2866 1 1 29 CYS H H -1.890 8.677 -4.113 1.00 . A A . 29 CYS H 1 1 3 2867 1 1 29 CYS HA H -1.694 8.112 -1.162 1.00 . A A . 29 CYS HA 1 1 3 2868 1 1 29 CYS HB2 H 0.376 7.534 -3.253 1.00 . A A . 29 CYS HB2 1 1 3 2869 1 1 29 CYS HB3 H 0.410 7.069 -1.541 1.00 . A A . 29 CYS HB3 1 1 3 2870 1 1 29 CYS N N -2.191 8.407 -3.182 1.00 . A A . 29 CYS N 1 1 3 2871 1 1 29 CYS O O 0.021 9.948 -0.823 1.00 . A A . 29 CYS O 1 1 3 2872 1 1 29 CYS SG S -1.100 5.663 -2.792 1.00 . A A . 29 CYS SG 1 1 3 2873 1 1 30 HIS C C -0.425 12.887 -3.341 1.00 . A A . 30 HIS C 1 1 3 2874 1 1 30 HIS CA C 0.463 11.706 -2.970 1.00 . A A . 30 HIS CA 1 1 3 2875 1 1 30 HIS CB C 1.599 11.568 -3.982 1.00 . A A . 30 HIS CB 1 1 3 2876 1 1 30 HIS CD2 C 2.874 9.447 -4.524 1.00 . A A . 30 HIS CD2 1 1 3 2877 1 1 30 HIS CE1 C 4.242 9.333 -2.833 1.00 . A A . 30 HIS CE1 1 1 3 2878 1 1 30 HIS CG C 2.552 10.453 -3.675 1.00 . A A . 30 HIS CG 1 1 3 2879 1 1 30 HIS H H -0.762 10.245 -3.854 1.00 . A A . 30 HIS H 1 1 3 2880 1 1 30 HIS HA H 0.901 11.900 -1.989 1.00 . A A . 30 HIS HA 1 1 3 2881 1 1 30 HIS HB2 H 1.164 11.404 -4.970 1.00 . A A . 30 HIS HB2 1 1 3 2882 1 1 30 HIS HB3 H 2.150 12.506 -4.024 1.00 . A A . 30 HIS HB3 1 1 3 2883 1 1 30 HIS HD1 H 3.430 11.054 -1.868 1.00 . A A . 30 HIS HD1 1 1 3 2884 1 1 30 HIS HD2 H 2.412 9.273 -5.471 1.00 . A A . 30 HIS HD2 1 1 3 2885 1 1 30 HIS HE1 H 5.072 9.013 -2.225 1.00 . A A . 30 HIS HE1 1 1 3 2886 1 1 30 HIS N N -0.326 10.485 -2.973 1.00 . A A . 30 HIS N 1 1 3 2887 1 1 30 HIS ND1 N 3.406 10.373 -2.608 1.00 . A A . 30 HIS ND1 1 1 3 2888 1 1 30 HIS NE2 N 3.954 8.744 -4.000 1.00 . A A . 30 HIS NE2 1 1 3 2889 1 1 30 HIS O O -0.375 13.367 -4.470 1.00 . A A . 30 HIS O 1 1 3 2890 1 1 31 GLU C C -1.413 15.725 -2.996 1.00 . A A . 31 GLU C 1 1 3 2891 1 1 31 GLU CA C -2.161 14.450 -2.612 1.00 . A A . 31 GLU CA 1 1 3 2892 1 1 31 GLU CB C -3.022 14.714 -1.364 1.00 . A A . 31 GLU CB 1 1 3 2893 1 1 31 GLU CD C -4.541 13.710 0.354 1.00 . A A . 31 GLU CD 1 1 3 2894 1 1 31 GLU CG C -3.398 13.437 -0.615 1.00 . A A . 31 GLU CG 1 1 3 2895 1 1 31 GLU H H -1.186 12.895 -1.487 1.00 . A A . 31 GLU H 1 1 3 2896 1 1 31 GLU HA H -2.820 14.158 -3.431 1.00 . A A . 31 GLU HA 1 1 3 2897 1 1 31 GLU HB2 H -2.534 15.371 -0.644 1.00 . A A . 31 GLU HB2 1 1 3 2898 1 1 31 GLU HB3 H -3.939 15.207 -1.694 1.00 . A A . 31 GLU HB3 1 1 3 2899 1 1 31 GLU HG2 H -3.697 12.695 -1.348 1.00 . A A . 31 GLU HG2 1 1 3 2900 1 1 31 GLU HG3 H -2.554 13.054 -0.041 1.00 . A A . 31 GLU HG3 1 1 3 2901 1 1 31 GLU N N -1.211 13.365 -2.379 1.00 . A A . 31 GLU N 1 1 3 2902 1 1 31 GLU O O -1.610 16.305 -4.059 1.00 . A A . 31 GLU O 1 1 3 2903 1 1 31 GLU OE1 O -5.690 13.792 -0.129 1.00 . A A . 31 GLU OE1 1 1 3 2904 1 1 31 GLU OE2 O -4.232 13.881 1.553 1.00 . A A . 31 GLU OE2 1 1 3 2905 1 1 32 GLY C C 1.394 17.239 -3.077 1.00 . A A . 32 GLY C 1 1 3 2906 1 1 32 GLY CA C 0.179 17.407 -2.169 1.00 . A A . 32 GLY CA 1 1 3 2907 1 1 32 GLY H H -0.525 15.599 -1.227 1.00 . A A . 32 GLY H 1 1 3 2908 1 1 32 GLY HA2 H -0.465 18.191 -2.569 1.00 . A A . 32 GLY HA2 1 1 3 2909 1 1 32 GLY HA3 H 0.515 17.706 -1.176 1.00 . A A . 32 GLY HA3 1 1 3 2910 1 1 32 GLY N N -0.564 16.160 -2.067 1.00 . A A . 32 GLY N 1 1 3 2911 1 1 32 GLY O O 1.534 17.927 -4.084 1.00 . A A . 32 GLY O 1 1 3 2912 1 1 33 THR C C 4.014 14.669 -2.905 1.00 . A A . 33 THR C 1 1 3 2913 1 1 33 THR CA C 3.484 15.989 -3.457 1.00 . A A . 33 THR CA 1 1 3 2914 1 1 33 THR CB C 4.543 17.109 -3.357 1.00 . A A . 33 THR CB 1 1 3 2915 1 1 33 THR CG2 C 4.878 17.508 -1.915 1.00 . A A . 33 THR CG2 1 1 3 2916 1 1 33 THR H H 2.139 15.797 -1.852 1.00 . A A . 33 THR H 1 1 3 2917 1 1 33 THR HA H 3.187 15.871 -4.500 1.00 . A A . 33 THR HA 1 1 3 2918 1 1 33 THR HB H 4.150 17.993 -3.864 1.00 . A A . 33 THR HB 1 1 3 2919 1 1 33 THR HG1 H 6.222 16.066 -3.521 1.00 . A A . 33 THR HG1 1 1 3 2920 1 1 33 THR HG21 H 5.287 16.660 -1.365 1.00 . A A . 33 THR HG21 1 1 3 2921 1 1 33 THR HG22 H 5.620 18.307 -1.929 1.00 . A A . 33 THR HG22 1 1 3 2922 1 1 33 THR HG23 H 3.988 17.874 -1.404 1.00 . A A . 33 THR HG23 1 1 3 2923 1 1 33 THR N N 2.292 16.329 -2.698 1.00 . A A . 33 THR N 1 1 3 2924 1 1 33 THR O O 3.832 14.394 -1.717 1.00 . A A . 33 THR O 1 1 3 2925 1 1 33 THR OG1 O 5.748 16.753 -4.014 1.00 . A A . 33 THR OG1 1 1 3 2926 1 1 34 PRO C C 6.787 13.426 -2.568 1.00 . A A . 34 PRO C 1 1 3 2927 1 1 34 PRO CA C 5.551 12.812 -3.224 1.00 . A A . 34 PRO CA 1 1 3 2928 1 1 34 PRO CB C 5.914 11.953 -4.425 1.00 . A A . 34 PRO CB 1 1 3 2929 1 1 34 PRO CD C 4.703 13.916 -5.178 1.00 . A A . 34 PRO CD 1 1 3 2930 1 1 34 PRO CG C 5.716 12.867 -5.627 1.00 . A A . 34 PRO CG 1 1 3 2931 1 1 34 PRO HA H 5.049 12.189 -2.501 1.00 . A A . 34 PRO HA 1 1 3 2932 1 1 34 PRO HB2 H 6.930 11.582 -4.339 1.00 . A A . 34 PRO HB2 1 1 3 2933 1 1 34 PRO HB3 H 5.218 11.125 -4.520 1.00 . A A . 34 PRO HB3 1 1 3 2934 1 1 34 PRO HD2 H 5.007 14.895 -5.551 1.00 . A A . 34 PRO HD2 1 1 3 2935 1 1 34 PRO HD3 H 3.717 13.663 -5.571 1.00 . A A . 34 PRO HD3 1 1 3 2936 1 1 34 PRO HG2 H 6.660 13.349 -5.870 1.00 . A A . 34 PRO HG2 1 1 3 2937 1 1 34 PRO HG3 H 5.325 12.293 -6.463 1.00 . A A . 34 PRO HG3 1 1 3 2938 1 1 34 PRO N N 4.676 13.848 -3.727 1.00 . A A . 34 PRO N 1 1 3 2939 1 1 34 PRO O O 7.188 14.533 -2.928 1.00 . A A . 34 PRO O 1 1 3 2940 1 1 35 ALA C C 8.941 11.822 0.054 1.00 . A A . 35 ALA C 1 1 3 2941 1 1 35 ALA CA C 8.629 12.961 -0.935 1.00 . A A . 35 ALA CA 1 1 3 2942 1 1 35 ALA CB C 8.564 14.313 -0.205 1.00 . A A . 35 ALA CB 1 1 3 2943 1 1 35 ALA H H 6.901 11.825 -1.357 1.00 . A A . 35 ALA H 1 1 3 2944 1 1 35 ALA HA H 9.430 13.002 -1.673 1.00 . A A . 35 ALA HA 1 1 3 2945 1 1 35 ALA HB1 H 9.500 14.489 0.327 1.00 . A A . 35 ALA HB1 1 1 3 2946 1 1 35 ALA HB2 H 8.424 15.135 -0.905 1.00 . A A . 35 ALA HB2 1 1 3 2947 1 1 35 ALA HB3 H 7.743 14.309 0.513 1.00 . A A . 35 ALA HB3 1 1 3 2948 1 1 35 ALA N N 7.367 12.680 -1.618 1.00 . A A . 35 ALA N 1 1 3 2949 1 1 35 ALA O O 9.329 12.089 1.186 1.00 . A A . 35 ALA O 1 1 3 2950 1 1 36 LYS C C 7.678 9.361 1.526 1.00 . A A . 36 LYS C 1 1 3 2951 1 1 36 LYS CA C 8.783 9.357 0.455 1.00 . A A . 36 LYS CA 1 1 3 2952 1 1 36 LYS CB C 10.171 9.120 1.089 1.00 . A A . 36 LYS CB 1 1 3 2953 1 1 36 LYS CD C 11.923 7.297 1.361 1.00 . A A . 36 LYS CD 1 1 3 2954 1 1 36 LYS CE C 11.112 6.495 2.397 1.00 . A A . 36 LYS CE 1 1 3 2955 1 1 36 LYS CG C 10.982 8.018 0.386 1.00 . A A . 36 LYS CG 1 1 3 2956 1 1 36 LYS H H 8.527 10.435 -1.350 1.00 . A A . 36 LYS H 1 1 3 2957 1 1 36 LYS HA H 8.561 8.529 -0.215 1.00 . A A . 36 LYS HA 1 1 3 2958 1 1 36 LYS HB2 H 10.770 10.030 1.090 1.00 . A A . 36 LYS HB2 1 1 3 2959 1 1 36 LYS HB3 H 10.023 8.846 2.133 1.00 . A A . 36 LYS HB3 1 1 3 2960 1 1 36 LYS HD2 H 12.570 6.640 0.775 1.00 . A A . 36 LYS HD2 1 1 3 2961 1 1 36 LYS HD3 H 12.552 8.037 1.861 1.00 . A A . 36 LYS HD3 1 1 3 2962 1 1 36 LYS HE2 H 11.276 6.901 3.395 1.00 . A A . 36 LYS HE2 1 1 3 2963 1 1 36 LYS HE3 H 10.047 6.579 2.174 1.00 . A A . 36 LYS HE3 1 1 3 2964 1 1 36 LYS HG2 H 10.342 7.267 -0.074 1.00 . A A . 36 LYS HG2 1 1 3 2965 1 1 36 LYS HG3 H 11.571 8.481 -0.407 1.00 . A A . 36 LYS HG3 1 1 3 2966 1 1 36 LYS HZ1 H 11.410 4.710 1.403 1.00 . A A . 36 LYS HZ1 1 1 3 2967 1 1 36 LYS HZ2 H 12.247 4.774 2.850 1.00 . A A . 36 LYS HZ2 1 1 3 2968 1 1 36 LYS HZ3 H 10.586 4.537 2.711 1.00 . A A . 36 LYS HZ3 1 1 3 2969 1 1 36 LYS N N 8.749 10.564 -0.376 1.00 . A A . 36 LYS N 1 1 3 2970 1 1 36 LYS NZ N 11.407 5.049 2.370 1.00 . A A . 36 LYS NZ 1 1 3 2971 1 1 36 LYS O O 7.683 10.198 2.423 1.00 . A A . 36 LYS O 1 1 3 2972 1 1 37 ILE C C 6.178 7.582 3.701 1.00 . A A . 37 ILE C 1 1 3 2973 1 1 37 ILE CA C 5.676 8.335 2.472 1.00 . A A . 37 ILE CA 1 1 3 2974 1 1 37 ILE CB C 4.392 7.692 1.915 1.00 . A A . 37 ILE CB 1 1 3 2975 1 1 37 ILE CD1 C 2.743 7.764 -0.047 1.00 . A A . 37 ILE CD1 1 1 3 2976 1 1 37 ILE CG1 C 4.110 8.194 0.491 1.00 . A A . 37 ILE CG1 1 1 3 2977 1 1 37 ILE CG2 C 3.223 8.003 2.862 1.00 . A A . 37 ILE CG2 1 1 3 2978 1 1 37 ILE H H 6.761 7.708 0.736 1.00 . A A . 37 ILE H 1 1 3 2979 1 1 37 ILE HA H 5.421 9.342 2.788 1.00 . A A . 37 ILE HA 1 1 3 2980 1 1 37 ILE HB H 4.520 6.611 1.869 1.00 . A A . 37 ILE HB 1 1 3 2981 1 1 37 ILE HD11 H 2.610 6.692 0.075 1.00 . A A . 37 ILE HD11 1 1 3 2982 1 1 37 ILE HD12 H 1.945 8.293 0.472 1.00 . A A . 37 ILE HD12 1 1 3 2983 1 1 37 ILE HD13 H 2.673 8.002 -1.107 1.00 . A A . 37 ILE HD13 1 1 3 2984 1 1 37 ILE HG12 H 4.178 9.281 0.464 1.00 . A A . 37 ILE HG12 1 1 3 2985 1 1 37 ILE HG13 H 4.877 7.771 -0.156 1.00 . A A . 37 ILE HG13 1 1 3 2986 1 1 37 ILE HG21 H 3.470 7.708 3.882 1.00 . A A . 37 ILE HG21 1 1 3 2987 1 1 37 ILE HG22 H 3.004 9.071 2.848 1.00 . A A . 37 ILE HG22 1 1 3 2988 1 1 37 ILE HG23 H 2.332 7.452 2.565 1.00 . A A . 37 ILE HG23 1 1 3 2989 1 1 37 ILE N N 6.737 8.410 1.465 1.00 . A A . 37 ILE N 1 1 3 2990 1 1 37 ILE O O 6.000 8.023 4.831 1.00 . A A . 37 ILE O 1 1 3 2991 1 1 38 ALA C C 6.004 4.933 5.220 1.00 . A A . 38 ALA C 1 1 3 2992 1 1 38 ALA CA C 7.211 5.441 4.429 1.00 . A A . 38 ALA CA 1 1 3 2993 1 1 38 ALA CB C 8.319 6.006 5.321 1.00 . A A . 38 ALA CB 1 1 3 2994 1 1 38 ALA H H 6.857 6.198 2.461 1.00 . A A . 38 ALA H 1 1 3 2995 1 1 38 ALA HA H 7.632 4.589 3.897 1.00 . A A . 38 ALA HA 1 1 3 2996 1 1 38 ALA HB1 H 9.135 6.360 4.692 1.00 . A A . 38 ALA HB1 1 1 3 2997 1 1 38 ALA HB2 H 7.952 6.832 5.930 1.00 . A A . 38 ALA HB2 1 1 3 2998 1 1 38 ALA HB3 H 8.688 5.220 5.980 1.00 . A A . 38 ALA HB3 1 1 3 2999 1 1 38 ALA N N 6.782 6.422 3.438 1.00 . A A . 38 ALA N 1 1 3 3000 1 1 38 ALA O O 5.775 5.328 6.361 1.00 . A A . 38 ALA O 1 1 3 3001 1 1 39 ILE C C 4.345 2.406 6.111 1.00 . A A . 39 ILE C 1 1 3 3002 1 1 39 ILE CA C 3.985 3.555 5.179 1.00 . A A . 39 ILE CA 1 1 3 3003 1 1 39 ILE CB C 2.973 3.140 4.105 1.00 . A A . 39 ILE CB 1 1 3 3004 1 1 39 ILE CD1 C 1.536 4.432 2.387 1.00 . A A . 39 ILE CD1 1 1 3 3005 1 1 39 ILE CG1 C 2.909 4.228 3.021 1.00 . A A . 39 ILE CG1 1 1 3 3006 1 1 39 ILE CG2 C 1.620 2.863 4.761 1.00 . A A . 39 ILE CG2 1 1 3 3007 1 1 39 ILE H H 5.494 3.707 3.690 1.00 . A A . 39 ILE H 1 1 3 3008 1 1 39 ILE HA H 3.519 4.360 5.754 1.00 . A A . 39 ILE HA 1 1 3 3009 1 1 39 ILE HB H 3.294 2.207 3.649 1.00 . A A . 39 ILE HB 1 1 3 3010 1 1 39 ILE HD11 H 0.856 4.829 3.139 1.00 . A A . 39 ILE HD11 1 1 3 3011 1 1 39 ILE HD12 H 1.618 5.156 1.578 1.00 . A A . 39 ILE HD12 1 1 3 3012 1 1 39 ILE HD13 H 1.151 3.498 1.986 1.00 . A A . 39 ILE HD13 1 1 3 3013 1 1 39 ILE HG12 H 3.212 5.188 3.425 1.00 . A A . 39 ILE HG12 1 1 3 3014 1 1 39 ILE HG13 H 3.628 3.956 2.260 1.00 . A A . 39 ILE HG13 1 1 3 3015 1 1 39 ILE HG21 H 1.188 3.783 5.155 1.00 . A A . 39 ILE HG21 1 1 3 3016 1 1 39 ILE HG22 H 0.951 2.408 4.033 1.00 . A A . 39 ILE HG22 1 1 3 3017 1 1 39 ILE HG23 H 1.752 2.162 5.578 1.00 . A A . 39 ILE HG23 1 1 3 3018 1 1 39 ILE N N 5.211 4.064 4.588 1.00 . A A . 39 ILE N 1 1 3 3019 1 1 39 ILE O O 4.628 1.298 5.664 1.00 . A A . 39 ILE O 1 1 3 3020 1 1 40 ASP C C 3.486 0.993 8.894 1.00 . A A . 40 ASP C 1 1 3 3021 1 1 40 ASP CA C 4.702 1.789 8.467 1.00 . A A . 40 ASP CA 1 1 3 3022 1 1 40 ASP CB C 5.290 2.534 9.677 1.00 . A A . 40 ASP CB 1 1 3 3023 1 1 40 ASP CG C 4.436 3.676 10.212 1.00 . A A . 40 ASP CG 1 1 3 3024 1 1 40 ASP H H 3.859 3.556 7.674 1.00 . A A . 40 ASP H 1 1 3 3025 1 1 40 ASP HA H 5.466 1.115 8.085 1.00 . A A . 40 ASP HA 1 1 3 3026 1 1 40 ASP HB2 H 5.443 1.824 10.491 1.00 . A A . 40 ASP HB2 1 1 3 3027 1 1 40 ASP HB3 H 6.271 2.892 9.392 1.00 . A A . 40 ASP HB3 1 1 3 3028 1 1 40 ASP N N 4.325 2.703 7.405 1.00 . A A . 40 ASP N 1 1 3 3029 1 1 40 ASP O O 2.359 1.402 8.641 1.00 . A A . 40 ASP O 1 1 3 3030 1 1 40 ASP OD1 O 3.283 3.846 9.756 1.00 . A A . 40 ASP OD1 1 1 3 3031 1 1 40 ASP OD2 O 4.886 4.377 11.143 1.00 . A A . 40 ASP OD2 1 1 3 3032 1 1 41 LYS C C 1.598 -0.120 10.818 1.00 . A A . 41 LYS C 1 1 3 3033 1 1 41 LYS CA C 2.720 -0.969 10.216 1.00 . A A . 41 LYS CA 1 1 3 3034 1 1 41 LYS CB C 3.387 -1.881 11.267 1.00 . A A . 41 LYS CB 1 1 3 3035 1 1 41 LYS CD C 5.582 -2.180 12.527 1.00 . A A . 41 LYS CD 1 1 3 3036 1 1 41 LYS CE C 5.161 -3.258 13.531 1.00 . A A . 41 LYS CE 1 1 3 3037 1 1 41 LYS CG C 4.448 -1.209 12.171 1.00 . A A . 41 LYS CG 1 1 3 3038 1 1 41 LYS H H 4.711 -0.351 9.709 1.00 . A A . 41 LYS H 1 1 3 3039 1 1 41 LYS HA H 2.286 -1.610 9.448 1.00 . A A . 41 LYS HA 1 1 3 3040 1 1 41 LYS HB2 H 2.604 -2.299 11.886 1.00 . A A . 41 LYS HB2 1 1 3 3041 1 1 41 LYS HB3 H 3.825 -2.739 10.762 1.00 . A A . 41 LYS HB3 1 1 3 3042 1 1 41 LYS HD2 H 5.934 -2.657 11.606 1.00 . A A . 41 LYS HD2 1 1 3 3043 1 1 41 LYS HD3 H 6.432 -1.616 12.913 1.00 . A A . 41 LYS HD3 1 1 3 3044 1 1 41 LYS HE2 H 4.212 -3.697 13.224 1.00 . A A . 41 LYS HE2 1 1 3 3045 1 1 41 LYS HE3 H 5.922 -4.039 13.539 1.00 . A A . 41 LYS HE3 1 1 3 3046 1 1 41 LYS HG2 H 4.951 -0.384 11.669 1.00 . A A . 41 LYS HG2 1 1 3 3047 1 1 41 LYS HG3 H 3.971 -0.796 13.060 1.00 . A A . 41 LYS HG3 1 1 3 3048 1 1 41 LYS HZ1 H 5.920 -2.332 15.190 1.00 . A A . 41 LYS HZ1 1 1 3 3049 1 1 41 LYS HZ2 H 4.323 -2.010 14.931 1.00 . A A . 41 LYS HZ2 1 1 3 3050 1 1 41 LYS HZ3 H 4.787 -3.473 15.531 1.00 . A A . 41 LYS HZ3 1 1 3 3051 1 1 41 LYS N N 3.723 -0.114 9.594 1.00 . A A . 41 LYS N 1 1 3 3052 1 1 41 LYS NZ N 5.036 -2.724 14.900 1.00 . A A . 41 LYS NZ 1 1 3 3053 1 1 41 LYS O O 0.419 -0.304 10.519 1.00 . A A . 41 LYS O 1 1 3 3054 1 1 42 LYS C C 0.176 2.491 11.391 1.00 . A A . 42 LYS C 1 1 3 3055 1 1 42 LYS CA C 1.201 1.822 12.320 1.00 . A A . 42 LYS CA 1 1 3 3056 1 1 42 LYS CB C 2.199 2.817 12.914 1.00 . A A . 42 LYS CB 1 1 3 3057 1 1 42 LYS CD C 2.627 4.963 14.135 1.00 . A A . 42 LYS CD 1 1 3 3058 1 1 42 LYS CE C 2.542 6.174 13.187 1.00 . A A . 42 LYS CE 1 1 3 3059 1 1 42 LYS CG C 1.592 3.864 13.838 1.00 . A A . 42 LYS CG 1 1 3 3060 1 1 42 LYS H H 3.004 0.949 11.763 1.00 . A A . 42 LYS H 1 1 3 3061 1 1 42 LYS HA H 0.666 1.324 13.131 1.00 . A A . 42 LYS HA 1 1 3 3062 1 1 42 LYS HB2 H 2.951 2.269 13.487 1.00 . A A . 42 LYS HB2 1 1 3 3063 1 1 42 LYS HB3 H 2.702 3.308 12.094 1.00 . A A . 42 LYS HB3 1 1 3 3064 1 1 42 LYS HD2 H 2.452 5.327 15.151 1.00 . A A . 42 LYS HD2 1 1 3 3065 1 1 42 LYS HD3 H 3.637 4.541 14.111 1.00 . A A . 42 LYS HD3 1 1 3 3066 1 1 42 LYS HE2 H 1.570 6.658 13.302 1.00 . A A . 42 LYS HE2 1 1 3 3067 1 1 42 LYS HE3 H 3.315 6.886 13.489 1.00 . A A . 42 LYS HE3 1 1 3 3068 1 1 42 LYS HG2 H 0.684 4.285 13.409 1.00 . A A . 42 LYS HG2 1 1 3 3069 1 1 42 LYS HG3 H 1.335 3.337 14.757 1.00 . A A . 42 LYS HG3 1 1 3 3070 1 1 42 LYS HZ1 H 3.646 5.341 11.634 1.00 . A A . 42 LYS HZ1 1 1 3 3071 1 1 42 LYS HZ2 H 2.037 5.250 11.368 1.00 . A A . 42 LYS HZ2 1 1 3 3072 1 1 42 LYS HZ3 H 2.801 6.670 11.190 1.00 . A A . 42 LYS HZ3 1 1 3 3073 1 1 42 LYS N N 2.012 0.838 11.644 1.00 . A A . 42 LYS N 1 1 3 3074 1 1 42 LYS NZ N 2.762 5.839 11.761 1.00 . A A . 42 LYS NZ 1 1 3 3075 1 1 42 LYS O O -0.975 2.641 11.790 1.00 . A A . 42 LYS O 1 1 3 3076 1 1 43 SER C C -0.977 2.624 8.290 1.00 . A A . 43 SER C 1 1 3 3077 1 1 43 SER CA C -0.324 3.618 9.263 1.00 . A A . 43 SER CA 1 1 3 3078 1 1 43 SER CB C 0.453 4.709 8.526 1.00 . A A . 43 SER CB 1 1 3 3079 1 1 43 SER H H 1.549 2.826 9.902 1.00 . A A . 43 SER H 1 1 3 3080 1 1 43 SER HA H -1.112 4.124 9.823 1.00 . A A . 43 SER HA 1 1 3 3081 1 1 43 SER HB2 H 1.103 4.261 7.771 1.00 . A A . 43 SER HB2 1 1 3 3082 1 1 43 SER HB3 H -0.251 5.375 8.031 1.00 . A A . 43 SER HB3 1 1 3 3083 1 1 43 SER HG H 2.107 4.953 9.444 1.00 . A A . 43 SER HG 1 1 3 3084 1 1 43 SER N N 0.576 2.937 10.193 1.00 . A A . 43 SER N 1 1 3 3085 1 1 43 SER O O -2.193 2.633 8.098 1.00 . A A . 43 SER O 1 1 3 3086 1 1 43 SER OG O 1.259 5.428 9.441 1.00 . A A . 43 SER OG 1 1 3 3087 1 1 44 ALA C C -1.733 -0.092 7.330 1.00 . A A . 44 ALA C 1 1 3 3088 1 1 44 ALA CA C -0.480 0.628 6.843 1.00 . A A . 44 ALA CA 1 1 3 3089 1 1 44 ALA CB C 0.715 -0.329 6.842 1.00 . A A . 44 ALA CB 1 1 3 3090 1 1 44 ALA H H 0.829 1.876 7.903 1.00 . A A . 44 ALA H 1 1 3 3091 1 1 44 ALA HA H -0.632 0.950 5.817 1.00 . A A . 44 ALA HA 1 1 3 3092 1 1 44 ALA HB1 H 0.895 -0.700 7.848 1.00 . A A . 44 ALA HB1 1 1 3 3093 1 1 44 ALA HB2 H 0.491 -1.171 6.193 1.00 . A A . 44 ALA HB2 1 1 3 3094 1 1 44 ALA HB3 H 1.617 0.180 6.498 1.00 . A A . 44 ALA HB3 1 1 3 3095 1 1 44 ALA N N -0.149 1.773 7.682 1.00 . A A . 44 ALA N 1 1 3 3096 1 1 44 ALA O O -2.719 -0.197 6.596 1.00 . A A . 44 ALA O 1 1 3 3097 1 1 45 HIS C C -3.689 -0.337 10.006 1.00 . A A . 45 HIS C 1 1 3 3098 1 1 45 HIS CA C -2.779 -1.288 9.219 1.00 . A A . 45 HIS CA 1 1 3 3099 1 1 45 HIS CB C -2.190 -2.419 10.080 1.00 . A A . 45 HIS CB 1 1 3 3100 1 1 45 HIS CD2 C -0.619 -4.084 8.855 1.00 . A A . 45 HIS CD2 1 1 3 3101 1 1 45 HIS CE1 C -2.131 -5.528 8.208 1.00 . A A . 45 HIS CE1 1 1 3 3102 1 1 45 HIS CG C -1.853 -3.642 9.269 1.00 . A A . 45 HIS CG 1 1 3 3103 1 1 45 HIS H H -0.858 -0.397 9.140 1.00 . A A . 45 HIS H 1 1 3 3104 1 1 45 HIS HA H -3.413 -1.747 8.459 1.00 . A A . 45 HIS HA 1 1 3 3105 1 1 45 HIS HB2 H -1.317 -2.079 10.633 1.00 . A A . 45 HIS HB2 1 1 3 3106 1 1 45 HIS HB3 H -2.930 -2.747 10.810 1.00 . A A . 45 HIS HB3 1 1 3 3107 1 1 45 HIS HD1 H -3.779 -4.521 9.033 1.00 . A A . 45 HIS HD1 1 1 3 3108 1 1 45 HIS HD2 H 0.333 -3.608 9.034 1.00 . A A . 45 HIS HD2 1 1 3 3109 1 1 45 HIS HE1 H -2.612 -6.392 7.788 1.00 . A A . 45 HIS HE1 1 1 3 3110 1 1 45 HIS N N -1.690 -0.566 8.579 1.00 . A A . 45 HIS N 1 1 3 3111 1 1 45 HIS ND1 N -2.787 -4.557 8.853 1.00 . A A . 45 HIS ND1 1 1 3 3112 1 1 45 HIS NE2 N -0.810 -5.296 8.179 1.00 . A A . 45 HIS NE2 1 1 3 3113 1 1 45 HIS O O -4.279 -0.731 11.011 1.00 . A A . 45 HIS O 1 1 3 3114 1 1 46 LYS C C -5.537 2.508 8.900 1.00 . A A . 46 LYS C 1 1 3 3115 1 1 46 LYS CA C -4.784 1.871 10.070 1.00 . A A . 46 LYS CA 1 1 3 3116 1 1 46 LYS CB C -4.018 2.869 10.957 1.00 . A A . 46 LYS CB 1 1 3 3117 1 1 46 LYS CD C -5.542 4.917 10.868 1.00 . A A . 46 LYS CD 1 1 3 3118 1 1 46 LYS CE C -6.172 6.063 11.666 1.00 . A A . 46 LYS CE 1 1 3 3119 1 1 46 LYS CG C -4.870 3.864 11.757 1.00 . A A . 46 LYS CG 1 1 3 3120 1 1 46 LYS H H -3.288 1.193 8.732 1.00 . A A . 46 LYS H 1 1 3 3121 1 1 46 LYS HA H -5.524 1.367 10.694 1.00 . A A . 46 LYS HA 1 1 3 3122 1 1 46 LYS HB2 H -3.476 2.273 11.692 1.00 . A A . 46 LYS HB2 1 1 3 3123 1 1 46 LYS HB3 H -3.285 3.416 10.368 1.00 . A A . 46 LYS HB3 1 1 3 3124 1 1 46 LYS HD2 H -4.799 5.319 10.178 1.00 . A A . 46 LYS HD2 1 1 3 3125 1 1 46 LYS HD3 H -6.343 4.436 10.308 1.00 . A A . 46 LYS HD3 1 1 3 3126 1 1 46 LYS HE2 H -6.875 5.644 12.388 1.00 . A A . 46 LYS HE2 1 1 3 3127 1 1 46 LYS HE3 H -5.398 6.614 12.202 1.00 . A A . 46 LYS HE3 1 1 3 3128 1 1 46 LYS HG2 H -5.620 3.319 12.331 1.00 . A A . 46 LYS HG2 1 1 3 3129 1 1 46 LYS HG3 H -4.195 4.371 12.447 1.00 . A A . 46 LYS HG3 1 1 3 3130 1 1 46 LYS HZ1 H -6.278 7.423 10.116 1.00 . A A . 46 LYS HZ1 1 1 3 3131 1 1 46 LYS HZ2 H -7.561 6.438 10.200 1.00 . A A . 46 LYS HZ2 1 1 3 3132 1 1 46 LYS HZ3 H -7.419 7.677 11.282 1.00 . A A . 46 LYS HZ3 1 1 3 3133 1 1 46 LYS N N -3.844 0.901 9.529 1.00 . A A . 46 LYS N 1 1 3 3134 1 1 46 LYS NZ N -6.906 6.979 10.768 1.00 . A A . 46 LYS NZ 1 1 3 3135 1 1 46 LYS O O -6.706 2.198 8.684 1.00 . A A . 46 LYS O 1 1 3 3136 1 1 47 ASP C C -4.312 4.375 6.017 1.00 . A A . 47 ASP C 1 1 3 3137 1 1 47 ASP CA C -5.437 4.086 7.002 1.00 . A A . 47 ASP CA 1 1 3 3138 1 1 47 ASP CB C -6.191 5.381 7.369 1.00 . A A . 47 ASP CB 1 1 3 3139 1 1 47 ASP CG C -7.654 5.179 7.746 1.00 . A A . 47 ASP CG 1 1 3 3140 1 1 47 ASP H H -3.870 3.465 8.293 1.00 . A A . 47 ASP H 1 1 3 3141 1 1 47 ASP HA H -6.131 3.419 6.504 1.00 . A A . 47 ASP HA 1 1 3 3142 1 1 47 ASP HB2 H -5.653 5.928 8.138 1.00 . A A . 47 ASP HB2 1 1 3 3143 1 1 47 ASP HB3 H -6.220 6.015 6.483 1.00 . A A . 47 ASP HB3 1 1 3 3144 1 1 47 ASP N N -4.873 3.394 8.153 1.00 . A A . 47 ASP N 1 1 3 3145 1 1 47 ASP O O -3.779 5.482 5.968 1.00 . A A . 47 ASP O 1 1 3 3146 1 1 47 ASP OD1 O -8.418 4.688 6.885 1.00 . A A . 47 ASP OD1 1 1 3 3147 1 1 47 ASP OD2 O -8.000 5.591 8.877 1.00 . A A . 47 ASP OD2 1 1 3 3148 1 1 48 ALA C C -3.529 2.422 3.057 1.00 . A A . 48 ALA C 1 1 3 3149 1 1 48 ALA CA C -3.170 3.545 4.021 1.00 . A A . 48 ALA CA 1 1 3 3150 1 1 48 ALA CB C -1.681 3.597 4.371 1.00 . A A . 48 ALA CB 1 1 3 3151 1 1 48 ALA H H -4.399 2.470 5.378 1.00 . A A . 48 ALA H 1 1 3 3152 1 1 48 ALA HA H -3.438 4.487 3.538 1.00 . A A . 48 ALA HA 1 1 3 3153 1 1 48 ALA HB1 H -1.452 4.539 4.870 1.00 . A A . 48 ALA HB1 1 1 3 3154 1 1 48 ALA HB2 H -1.411 2.785 5.041 1.00 . A A . 48 ALA HB2 1 1 3 3155 1 1 48 ALA HB3 H -1.096 3.530 3.454 1.00 . A A . 48 ALA HB3 1 1 3 3156 1 1 48 ALA N N -3.971 3.369 5.217 1.00 . A A . 48 ALA N 1 1 3 3157 1 1 48 ALA O O -4.354 2.612 2.169 1.00 . A A . 48 ALA O 1 1 3 3158 1 1 49 CYS C C -4.694 -0.371 2.591 1.00 . A A . 49 CYS C 1 1 3 3159 1 1 49 CYS CA C -3.255 0.109 2.371 1.00 . A A . 49 CYS CA 1 1 3 3160 1 1 49 CYS CB C -2.244 -0.998 2.558 1.00 . A A . 49 CYS CB 1 1 3 3161 1 1 49 CYS H H -2.300 1.110 3.998 1.00 . A A . 49 CYS H 1 1 3 3162 1 1 49 CYS HA H -3.182 0.453 1.342 1.00 . A A . 49 CYS HA 1 1 3 3163 1 1 49 CYS HB2 H -2.475 -1.536 3.470 1.00 . A A . 49 CYS HB2 1 1 3 3164 1 1 49 CYS HB3 H -2.311 -1.695 1.724 1.00 . A A . 49 CYS HB3 1 1 3 3165 1 1 49 CYS N N -2.971 1.229 3.254 1.00 . A A . 49 CYS N 1 1 3 3166 1 1 49 CYS O O -5.544 -0.256 1.705 1.00 . A A . 49 CYS O 1 1 3 3167 1 1 49 CYS SG S -0.527 -0.422 2.754 1.00 . A A . 49 CYS SG 1 1 3 3168 1 1 50 LYS C C -7.486 -0.633 3.848 1.00 . A A . 50 LYS C 1 1 3 3169 1 1 50 LYS CA C -6.271 -1.540 4.073 1.00 . A A . 50 LYS CA 1 1 3 3170 1 1 50 LYS CB C -6.294 -2.138 5.491 1.00 . A A . 50 LYS CB 1 1 3 3171 1 1 50 LYS CD C -6.490 -4.654 4.764 1.00 . A A . 50 LYS CD 1 1 3 3172 1 1 50 LYS CE C -7.997 -4.757 5.064 1.00 . A A . 50 LYS CE 1 1 3 3173 1 1 50 LYS CG C -5.745 -3.575 5.585 1.00 . A A . 50 LYS CG 1 1 3 3174 1 1 50 LYS H H -4.280 -0.896 4.507 1.00 . A A . 50 LYS H 1 1 3 3175 1 1 50 LYS HA H -6.380 -2.357 3.364 1.00 . A A . 50 LYS HA 1 1 3 3176 1 1 50 LYS HB2 H -5.714 -1.495 6.156 1.00 . A A . 50 LYS HB2 1 1 3 3177 1 1 50 LYS HB3 H -7.315 -2.139 5.873 1.00 . A A . 50 LYS HB3 1 1 3 3178 1 1 50 LYS HD2 H -6.342 -4.475 3.699 1.00 . A A . 50 LYS HD2 1 1 3 3179 1 1 50 LYS HD3 H -6.028 -5.618 4.994 1.00 . A A . 50 LYS HD3 1 1 3 3180 1 1 50 LYS HE2 H -8.143 -5.060 6.103 1.00 . A A . 50 LYS HE2 1 1 3 3181 1 1 50 LYS HE3 H -8.468 -3.784 4.914 1.00 . A A . 50 LYS HE3 1 1 3 3182 1 1 50 LYS HG2 H -4.697 -3.565 5.280 1.00 . A A . 50 LYS HG2 1 1 3 3183 1 1 50 LYS HG3 H -5.775 -3.868 6.637 1.00 . A A . 50 LYS HG3 1 1 3 3184 1 1 50 LYS HZ1 H -8.288 -6.652 4.188 1.00 . A A . 50 LYS HZ1 1 1 3 3185 1 1 50 LYS HZ2 H -9.665 -5.768 4.409 1.00 . A A . 50 LYS HZ2 1 1 3 3186 1 1 50 LYS HZ3 H -8.646 -5.338 3.217 1.00 . A A . 50 LYS HZ3 1 1 3 3187 1 1 50 LYS N N -4.994 -0.888 3.790 1.00 . A A . 50 LYS N 1 1 3 3188 1 1 50 LYS NZ N -8.686 -5.711 4.164 1.00 . A A . 50 LYS NZ 1 1 3 3189 1 1 50 LYS O O -8.576 -1.155 3.652 1.00 . A A . 50 LYS O 1 1 3 3190 1 1 51 THR C C -8.862 1.700 2.217 1.00 . A A . 51 THR C 1 1 3 3191 1 1 51 THR CA C -8.472 1.597 3.693 1.00 . A A . 51 THR CA 1 1 3 3192 1 1 51 THR CB C -8.209 2.945 4.372 1.00 . A A . 51 THR CB 1 1 3 3193 1 1 51 THR CG2 C -7.354 3.909 3.546 1.00 . A A . 51 THR CG2 1 1 3 3194 1 1 51 THR H H -6.424 1.088 4.014 1.00 . A A . 51 THR H 1 1 3 3195 1 1 51 THR HA H -9.320 1.161 4.220 1.00 . A A . 51 THR HA 1 1 3 3196 1 1 51 THR HB H -7.699 2.719 5.304 1.00 . A A . 51 THR HB 1 1 3 3197 1 1 51 THR HG1 H -9.154 4.180 5.477 1.00 . A A . 51 THR HG1 1 1 3 3198 1 1 51 THR HG21 H -7.892 4.231 2.654 1.00 . A A . 51 THR HG21 1 1 3 3199 1 1 51 THR HG22 H -7.118 4.789 4.146 1.00 . A A . 51 THR HG22 1 1 3 3200 1 1 51 THR HG23 H -6.427 3.427 3.250 1.00 . A A . 51 THR HG23 1 1 3 3201 1 1 51 THR N N -7.341 0.695 3.885 1.00 . A A . 51 THR N 1 1 3 3202 1 1 51 THR O O -10.029 1.932 1.914 1.00 . A A . 51 THR O 1 1 3 3203 1 1 51 THR OG1 O -9.410 3.583 4.745 1.00 . A A . 51 THR OG1 1 1 3 3204 1 1 52 CYS C C -8.715 -0.279 -0.138 1.00 . A A . 52 CYS C 1 1 3 3205 1 1 52 CYS CA C -8.305 1.181 -0.078 1.00 . A A . 52 CYS CA 1 1 3 3206 1 1 52 CYS CB C -7.156 1.389 -1.010 1.00 . A A . 52 CYS CB 1 1 3 3207 1 1 52 CYS H H -6.974 1.248 1.580 1.00 . A A . 52 CYS H 1 1 3 3208 1 1 52 CYS HA H -9.148 1.795 -0.406 1.00 . A A . 52 CYS HA 1 1 3 3209 1 1 52 CYS HB2 H -6.216 1.101 -0.539 1.00 . A A . 52 CYS HB2 1 1 3 3210 1 1 52 CYS HB3 H -7.321 0.745 -1.876 1.00 . A A . 52 CYS HB3 1 1 3 3211 1 1 52 CYS N N -7.922 1.475 1.295 1.00 . A A . 52 CYS N 1 1 3 3212 1 1 52 CYS O O -9.810 -0.614 -0.576 1.00 . A A . 52 CYS O 1 1 3 3213 1 1 52 CYS SG S -7.062 3.089 -1.618 1.00 . A A . 52 CYS SG 1 1 3 3214 1 1 53 HIS C C -8.991 -3.053 1.384 1.00 . A A . 53 HIS C 1 1 3 3215 1 1 53 HIS CA C -7.981 -2.594 0.311 1.00 . A A . 53 HIS CA 1 1 3 3216 1 1 53 HIS CB C -6.596 -3.227 0.528 1.00 . A A . 53 HIS CB 1 1 3 3217 1 1 53 HIS CD2 C -5.071 -2.228 -1.328 1.00 . A A . 53 HIS CD2 1 1 3 3218 1 1 53 HIS CE1 C -4.046 -4.072 -1.886 1.00 . A A . 53 HIS CE1 1 1 3 3219 1 1 53 HIS CG C -5.647 -3.268 -0.638 1.00 . A A . 53 HIS CG 1 1 3 3220 1 1 53 HIS H H -6.956 -0.778 0.702 1.00 . A A . 53 HIS H 1 1 3 3221 1 1 53 HIS HA H -8.357 -2.906 -0.662 1.00 . A A . 53 HIS HA 1 1 3 3222 1 1 53 HIS HB2 H -6.070 -2.721 1.328 1.00 . A A . 53 HIS HB2 1 1 3 3223 1 1 53 HIS HB3 H -6.747 -4.262 0.828 1.00 . A A . 53 HIS HB3 1 1 3 3224 1 1 53 HIS HD1 H -5.086 -5.314 -0.558 1.00 . A A . 53 HIS HD1 1 1 3 3225 1 1 53 HIS HD2 H -5.273 -1.174 -1.248 1.00 . A A . 53 HIS HD2 1 1 3 3226 1 1 53 HIS HE1 H -3.358 -4.771 -2.327 1.00 . A A . 53 HIS HE1 1 1 3 3227 1 1 53 HIS N N -7.822 -1.153 0.327 1.00 . A A . 53 HIS N 1 1 3 3228 1 1 53 HIS ND1 N -4.974 -4.407 -0.979 1.00 . A A . 53 HIS ND1 1 1 3 3229 1 1 53 HIS NE2 N -4.061 -2.754 -2.140 1.00 . A A . 53 HIS NE2 1 1 3 3230 1 1 53 HIS O O -8.739 -4.024 2.105 1.00 . A A . 53 HIS O 1 1 3 3231 1 1 54 LYS C C -11.953 -3.862 2.025 1.00 . A A . 54 LYS C 1 1 3 3232 1 1 54 LYS CA C -11.170 -2.639 2.486 1.00 . A A . 54 LYS CA 1 1 3 3233 1 1 54 LYS CB C -12.059 -1.388 2.673 1.00 . A A . 54 LYS CB 1 1 3 3234 1 1 54 LYS CD C -12.322 0.707 4.093 1.00 . A A . 54 LYS CD 1 1 3 3235 1 1 54 LYS CE C -12.064 1.357 5.463 1.00 . A A . 54 LYS CE 1 1 3 3236 1 1 54 LYS CG C -11.906 -0.772 4.076 1.00 . A A . 54 LYS CG 1 1 3 3237 1 1 54 LYS H H -10.298 -1.618 0.840 1.00 . A A . 54 LYS H 1 1 3 3238 1 1 54 LYS HA H -10.699 -2.889 3.438 1.00 . A A . 54 LYS HA 1 1 3 3239 1 1 54 LYS HB2 H -11.791 -0.639 1.925 1.00 . A A . 54 LYS HB2 1 1 3 3240 1 1 54 LYS HB3 H -13.111 -1.639 2.524 1.00 . A A . 54 LYS HB3 1 1 3 3241 1 1 54 LYS HD2 H -11.725 1.218 3.342 1.00 . A A . 54 LYS HD2 1 1 3 3242 1 1 54 LYS HD3 H -13.374 0.800 3.817 1.00 . A A . 54 LYS HD3 1 1 3 3243 1 1 54 LYS HE2 H -12.904 1.139 6.126 1.00 . A A . 54 LYS HE2 1 1 3 3244 1 1 54 LYS HE3 H -11.158 0.939 5.908 1.00 . A A . 54 LYS HE3 1 1 3 3245 1 1 54 LYS HG2 H -12.499 -1.344 4.791 1.00 . A A . 54 LYS HG2 1 1 3 3246 1 1 54 LYS HG3 H -10.859 -0.826 4.371 1.00 . A A . 54 LYS HG3 1 1 3 3247 1 1 54 LYS HZ1 H -11.757 3.224 6.281 1.00 . A A . 54 LYS HZ1 1 1 3 3248 1 1 54 LYS HZ2 H -11.009 3.028 4.853 1.00 . A A . 54 LYS HZ2 1 1 3 3249 1 1 54 LYS HZ3 H -12.644 3.267 4.892 1.00 . A A . 54 LYS HZ3 1 1 3 3250 1 1 54 LYS N N -10.135 -2.370 1.499 1.00 . A A . 54 LYS N 1 1 3 3251 1 1 54 LYS NZ N -11.870 2.821 5.361 1.00 . A A . 54 LYS NZ 1 1 3 3252 1 1 54 LYS O O -12.035 -4.852 2.751 1.00 . A A . 54 LYS O 1 1 3 3253 1 1 55 SER C C -12.773 -4.911 -1.304 1.00 . A A . 55 SER C 1 1 3 3254 1 1 55 SER CA C -13.230 -4.862 0.156 1.00 . A A . 55 SER CA 1 1 3 3255 1 1 55 SER CB C -14.738 -4.605 0.311 1.00 . A A . 55 SER CB 1 1 3 3256 1 1 55 SER H H -12.323 -2.954 0.259 1.00 . A A . 55 SER H 1 1 3 3257 1 1 55 SER HA H -12.986 -5.818 0.623 1.00 . A A . 55 SER HA 1 1 3 3258 1 1 55 SER HB2 H -14.952 -4.301 1.336 1.00 . A A . 55 SER HB2 1 1 3 3259 1 1 55 SER HB3 H -15.053 -3.805 -0.361 1.00 . A A . 55 SER HB3 1 1 3 3260 1 1 55 SER HG H -15.209 -6.477 0.631 1.00 . A A . 55 SER HG 1 1 3 3261 1 1 55 SER N N -12.493 -3.788 0.805 1.00 . A A . 55 SER N 1 1 3 3262 1 1 55 SER O O -13.529 -4.581 -2.214 1.00 . A A . 55 SER O 1 1 3 3263 1 1 55 SER OG O -15.487 -5.774 0.039 1.00 . A A . 55 SER OG 1 1 3 3264 1 1 56 ASN C C -10.502 -6.834 -3.038 1.00 . A A . 56 ASN C 1 1 3 3265 1 1 56 ASN CA C -10.890 -5.383 -2.823 1.00 . A A . 56 ASN CA 1 1 3 3266 1 1 56 ASN CB C -9.631 -4.513 -2.918 1.00 . A A . 56 ASN CB 1 1 3 3267 1 1 56 ASN CG C -9.929 -3.021 -3.004 1.00 . A A . 56 ASN CG 1 1 3 3268 1 1 56 ASN H H -10.973 -5.633 -0.725 1.00 . A A . 56 ASN H 1 1 3 3269 1 1 56 ASN HA H -11.583 -5.073 -3.609 1.00 . A A . 56 ASN HA 1 1 3 3270 1 1 56 ASN HB2 H -8.985 -4.711 -2.063 1.00 . A A . 56 ASN HB2 1 1 3 3271 1 1 56 ASN HB3 H -9.095 -4.796 -3.825 1.00 . A A . 56 ASN HB3 1 1 3 3272 1 1 56 ASN HD21 H -8.076 -2.661 -3.757 1.00 . A A . 56 ASN HD21 1 1 3 3273 1 1 56 ASN HD22 H -9.112 -1.257 -3.501 1.00 . A A . 56 ASN HD22 1 1 3 3274 1 1 56 ASN N N -11.507 -5.285 -1.507 1.00 . A A . 56 ASN N 1 1 3 3275 1 1 56 ASN ND2 N -8.952 -2.252 -3.470 1.00 . A A . 56 ASN ND2 1 1 3 3276 1 1 56 ASN O O -9.875 -7.426 -2.163 1.00 . A A . 56 ASN O 1 1 3 3277 1 1 56 ASN OD1 O -11.010 -2.560 -2.657 1.00 . A A . 56 ASN OD1 1 1 3 3278 1 1 57 ASN C C -11.384 -9.727 -3.631 1.00 . A A . 57 ASN C 1 1 3 3279 1 1 57 ASN CA C -10.644 -8.770 -4.578 1.00 . A A . 57 ASN CA 1 1 3 3280 1 1 57 ASN CB C -9.144 -9.103 -4.686 1.00 . A A . 57 ASN CB 1 1 3 3281 1 1 57 ASN CG C -8.455 -8.242 -5.739 1.00 . A A . 57 ASN CG 1 1 3 3282 1 1 57 ASN H H -11.303 -6.765 -4.874 1.00 . A A . 57 ASN H 1 1 3 3283 1 1 57 ASN HA H -11.085 -8.905 -5.567 1.00 . A A . 57 ASN HA 1 1 3 3284 1 1 57 ASN HB2 H -8.655 -8.991 -3.718 1.00 . A A . 57 ASN HB2 1 1 3 3285 1 1 57 ASN HB3 H -9.020 -10.139 -5.000 1.00 . A A . 57 ASN HB3 1 1 3 3286 1 1 57 ASN HD21 H -7.233 -7.364 -4.365 1.00 . A A . 57 ASN HD21 1 1 3 3287 1 1 57 ASN HD22 H -7.004 -6.881 -6.035 1.00 . A A . 57 ASN HD22 1 1 3 3288 1 1 57 ASN N N -10.847 -7.372 -4.209 1.00 . A A . 57 ASN N 1 1 3 3289 1 1 57 ASN ND2 N -7.511 -7.398 -5.334 1.00 . A A . 57 ASN ND2 1 1 3 3290 1 1 57 ASN O O -12.068 -9.308 -2.700 1.00 . A A . 57 ASN O 1 1 3 3291 1 1 57 ASN OD1 O -8.784 -8.328 -6.917 1.00 . A A . 57 ASN OD1 1 1 3 3292 1 1 58 GLY C C -11.143 -12.120 -1.690 1.00 . A A . 58 GLY C 1 1 3 3293 1 1 58 GLY CA C -11.833 -12.079 -3.058 1.00 . A A . 58 GLY CA 1 1 3 3294 1 1 58 GLY H H -10.754 -11.312 -4.718 1.00 . A A . 58 GLY H 1 1 3 3295 1 1 58 GLY HA2 H -12.900 -11.897 -2.916 1.00 . A A . 58 GLY HA2 1 1 3 3296 1 1 58 GLY HA3 H -11.715 -13.042 -3.552 1.00 . A A . 58 GLY HA3 1 1 3 3297 1 1 58 GLY N N -11.279 -11.031 -3.904 1.00 . A A . 58 GLY N 1 1 3 3298 1 1 58 GLY O O -11.788 -11.865 -0.672 1.00 . A A . 58 GLY O 1 1 3 3299 1 1 59 PRO C C -9.010 -10.961 0.111 1.00 . A A . 59 PRO C 1 1 3 3300 1 1 59 PRO CA C -9.087 -12.409 -0.391 1.00 . A A . 59 PRO CA 1 1 3 3301 1 1 59 PRO CB C -7.717 -13.015 -0.706 1.00 . A A . 59 PRO CB 1 1 3 3302 1 1 59 PRO CD C -8.997 -12.902 -2.729 1.00 . A A . 59 PRO CD 1 1 3 3303 1 1 59 PRO CG C -7.565 -12.778 -2.208 1.00 . A A . 59 PRO CG 1 1 3 3304 1 1 59 PRO HA H -9.584 -13.018 0.367 1.00 . A A . 59 PRO HA 1 1 3 3305 1 1 59 PRO HB2 H -6.907 -12.566 -0.131 1.00 . A A . 59 PRO HB2 1 1 3 3306 1 1 59 PRO HB3 H -7.753 -14.090 -0.522 1.00 . A A . 59 PRO HB3 1 1 3 3307 1 1 59 PRO HD2 H -9.101 -12.298 -3.627 1.00 . A A . 59 PRO HD2 1 1 3 3308 1 1 59 PRO HD3 H -9.219 -13.945 -2.956 1.00 . A A . 59 PRO HD3 1 1 3 3309 1 1 59 PRO HG2 H -7.206 -11.761 -2.377 1.00 . A A . 59 PRO HG2 1 1 3 3310 1 1 59 PRO HG3 H -6.890 -13.497 -2.677 1.00 . A A . 59 PRO HG3 1 1 3 3311 1 1 59 PRO N N -9.845 -12.467 -1.630 1.00 . A A . 59 PRO N 1 1 3 3312 1 1 59 PRO O O -9.258 -10.020 -0.636 1.00 . A A . 59 PRO O 1 1 3 3313 1 1 60 THR C C -8.379 -9.497 3.534 1.00 . A A . 60 THR C 1 1 3 3314 1 1 60 THR CA C -8.984 -9.534 2.117 1.00 . A A . 60 THR CA 1 1 3 3315 1 1 60 THR CB C -10.501 -9.223 2.064 1.00 . A A . 60 THR CB 1 1 3 3316 1 1 60 THR CG2 C -11.075 -8.504 3.288 1.00 . A A . 60 THR CG2 1 1 3 3317 1 1 60 THR H H -8.405 -11.604 1.896 1.00 . A A . 60 THR H 1 1 3 3318 1 1 60 THR HA H -8.466 -8.742 1.572 1.00 . A A . 60 THR HA 1 1 3 3319 1 1 60 THR HB H -11.062 -10.155 1.952 1.00 . A A . 60 THR HB 1 1 3 3320 1 1 60 THR HG1 H -10.409 -8.826 0.149 1.00 . A A . 60 THR HG1 1 1 3 3321 1 1 60 THR HG21 H -10.958 -9.108 4.188 1.00 . A A . 60 THR HG21 1 1 3 3322 1 1 60 THR HG22 H -10.589 -7.540 3.417 1.00 . A A . 60 THR HG22 1 1 3 3323 1 1 60 THR HG23 H -12.140 -8.330 3.128 1.00 . A A . 60 THR HG23 1 1 3 3324 1 1 60 THR N N -8.725 -10.790 1.403 1.00 . A A . 60 THR N 1 1 3 3325 1 1 60 THR O O -8.082 -8.400 4.024 1.00 . A A . 60 THR O 1 1 3 3326 1 1 60 THR OG1 O -10.768 -8.401 0.944 1.00 . A A . 60 THR OG1 1 1 3 3327 1 1 61 LYS C C -5.921 -10.584 5.099 1.00 . A A . 61 LYS C 1 1 3 3328 1 1 61 LYS CA C -7.413 -10.814 5.404 1.00 . A A . 61 LYS CA 1 1 3 3329 1 1 61 LYS CB C -7.684 -12.193 6.039 1.00 . A A . 61 LYS CB 1 1 3 3330 1 1 61 LYS CD C -9.311 -13.726 7.197 1.00 . A A . 61 LYS CD 1 1 3 3331 1 1 61 LYS CE C -10.776 -13.958 7.602 1.00 . A A . 61 LYS CE 1 1 3 3332 1 1 61 LYS CG C -9.141 -12.371 6.491 1.00 . A A . 61 LYS CG 1 1 3 3333 1 1 61 LYS H H -8.587 -11.507 3.807 1.00 . A A . 61 LYS H 1 1 3 3334 1 1 61 LYS HA H -7.720 -10.048 6.119 1.00 . A A . 61 LYS HA 1 1 3 3335 1 1 61 LYS HB2 H -7.451 -12.983 5.323 1.00 . A A . 61 LYS HB2 1 1 3 3336 1 1 61 LYS HB3 H -7.036 -12.304 6.910 1.00 . A A . 61 LYS HB3 1 1 3 3337 1 1 61 LYS HD2 H -8.985 -14.519 6.518 1.00 . A A . 61 LYS HD2 1 1 3 3338 1 1 61 LYS HD3 H -8.670 -13.740 8.083 1.00 . A A . 61 LYS HD3 1 1 3 3339 1 1 61 LYS HE2 H -11.104 -13.140 8.248 1.00 . A A . 61 LYS HE2 1 1 3 3340 1 1 61 LYS HE3 H -11.400 -13.959 6.705 1.00 . A A . 61 LYS HE3 1 1 3 3341 1 1 61 LYS HG2 H -9.403 -11.564 7.179 1.00 . A A . 61 LYS HG2 1 1 3 3342 1 1 61 LYS HG3 H -9.802 -12.324 5.626 1.00 . A A . 61 LYS HG3 1 1 3 3343 1 1 61 LYS HZ1 H -11.944 -15.353 8.555 1.00 . A A . 61 LYS HZ1 1 1 3 3344 1 1 61 LYS HZ2 H -10.687 -16.015 7.736 1.00 . A A . 61 LYS HZ2 1 1 3 3345 1 1 61 LYS HZ3 H -10.426 -15.252 9.171 1.00 . A A . 61 LYS HZ3 1 1 3 3346 1 1 61 LYS N N -8.201 -10.661 4.186 1.00 . A A . 61 LYS N 1 1 3 3347 1 1 61 LYS NZ N -10.968 -15.238 8.317 1.00 . A A . 61 LYS NZ 1 1 3 3348 1 1 61 LYS O O -5.498 -9.434 4.991 1.00 . A A . 61 LYS O 1 1 3 3349 1 1 62 CYS C C -3.328 -12.028 3.302 1.00 . A A . 62 CYS C 1 1 3 3350 1 1 62 CYS CA C -3.683 -11.549 4.707 1.00 . A A . 62 CYS CA 1 1 3 3351 1 1 62 CYS CB C -2.841 -12.211 5.779 1.00 . A A . 62 CYS CB 1 1 3 3352 1 1 62 CYS H H -5.501 -12.581 5.038 1.00 . A A . 62 CYS H 1 1 3 3353 1 1 62 CYS HA H -3.407 -10.513 4.678 1.00 . A A . 62 CYS HA 1 1 3 3354 1 1 62 CYS HB2 H -2.723 -13.266 5.531 1.00 . A A . 62 CYS HB2 1 1 3 3355 1 1 62 CYS HB3 H -1.859 -11.734 5.774 1.00 . A A . 62 CYS HB3 1 1 3 3356 1 1 62 CYS N N -5.117 -11.653 4.970 1.00 . A A . 62 CYS N 1 1 3 3357 1 1 62 CYS O O -4.201 -12.151 2.446 1.00 . A A . 62 CYS O 1 1 3 3358 1 1 62 CYS SG S -3.518 -12.140 7.467 1.00 . A A . 62 CYS SG 1 1 3 3359 1 1 63 GLY C C -1.431 -11.661 0.701 1.00 . A A . 63 GLY C 1 1 3 3360 1 1 63 GLY CA C -1.541 -12.752 1.764 1.00 . A A . 63 GLY CA 1 1 3 3361 1 1 63 GLY H H -1.359 -12.001 3.750 1.00 . A A . 63 GLY H 1 1 3 3362 1 1 63 GLY HA2 H -0.555 -13.187 1.927 1.00 . A A . 63 GLY HA2 1 1 3 3363 1 1 63 GLY HA3 H -2.207 -13.535 1.401 1.00 . A A . 63 GLY HA3 1 1 3 3364 1 1 63 GLY N N -2.035 -12.222 3.033 1.00 . A A . 63 GLY N 1 1 3 3365 1 1 63 GLY O O -0.472 -11.628 -0.062 1.00 . A A . 63 GLY O 1 1 3 3366 1 1 64 GLY C C -1.217 -8.860 -0.498 1.00 . A A . 64 GLY C 1 1 3 3367 1 1 64 GLY CA C -2.512 -9.645 -0.268 1.00 . A A . 64 GLY CA 1 1 3 3368 1 1 64 GLY H H -3.188 -10.910 1.299 1.00 . A A . 64 GLY H 1 1 3 3369 1 1 64 GLY HA2 H -2.876 -10.029 -1.221 1.00 . A A . 64 GLY HA2 1 1 3 3370 1 1 64 GLY HA3 H -3.250 -8.950 0.136 1.00 . A A . 64 GLY HA3 1 1 3 3371 1 1 64 GLY N N -2.403 -10.745 0.679 1.00 . A A . 64 GLY N 1 1 3 3372 1 1 64 GLY O O -1.023 -8.309 -1.578 1.00 . A A . 64 GLY O 1 1 3 3373 1 1 65 CYS C C 2.019 -8.562 1.048 1.00 . A A . 65 CYS C 1 1 3 3374 1 1 65 CYS CA C 0.765 -7.835 0.558 1.00 . A A . 65 CYS CA 1 1 3 3375 1 1 65 CYS CB C 0.420 -6.665 1.442 1.00 . A A . 65 CYS CB 1 1 3 3376 1 1 65 CYS H H -0.582 -9.277 1.361 1.00 . A A . 65 CYS H 1 1 3 3377 1 1 65 CYS HA H 0.981 -7.461 -0.443 1.00 . A A . 65 CYS HA 1 1 3 3378 1 1 65 CYS HB2 H 0.352 -7.038 2.461 1.00 . A A . 65 CYS HB2 1 1 3 3379 1 1 65 CYS HB3 H 1.202 -5.911 1.402 1.00 . A A . 65 CYS HB3 1 1 3 3380 1 1 65 CYS N N -0.371 -8.750 0.531 1.00 . A A . 65 CYS N 1 1 3 3381 1 1 65 CYS O O 3.044 -8.571 0.367 1.00 . A A . 65 CYS O 1 1 3 3382 1 1 65 CYS SG S -1.168 -5.925 0.929 1.00 . A A . 65 CYS SG 1 1 3 3383 1 1 66 HIS C C 3.262 -11.173 1.924 1.00 . A A . 66 HIS C 1 1 3 3384 1 1 66 HIS CA C 3.045 -9.941 2.787 1.00 . A A . 66 HIS CA 1 1 3 3385 1 1 66 HIS CB C 2.749 -10.397 4.222 1.00 . A A . 66 HIS CB 1 1 3 3386 1 1 66 HIS CD2 C 1.486 -8.728 5.680 1.00 . A A . 66 HIS CD2 1 1 3 3387 1 1 66 HIS CE1 C 3.150 -7.570 6.481 1.00 . A A . 66 HIS CE1 1 1 3 3388 1 1 66 HIS CG C 2.644 -9.269 5.202 1.00 . A A . 66 HIS CG 1 1 3 3389 1 1 66 HIS H H 1.073 -9.135 2.748 1.00 . A A . 66 HIS H 1 1 3 3390 1 1 66 HIS HA H 3.945 -9.326 2.801 1.00 . A A . 66 HIS HA 1 1 3 3391 1 1 66 HIS HB2 H 1.839 -10.998 4.230 1.00 . A A . 66 HIS HB2 1 1 3 3392 1 1 66 HIS HB3 H 3.554 -11.061 4.542 1.00 . A A . 66 HIS HB3 1 1 3 3393 1 1 66 HIS HD1 H 4.679 -8.644 5.493 1.00 . A A . 66 HIS HD1 1 1 3 3394 1 1 66 HIS HD2 H 0.477 -9.028 5.477 1.00 . A A . 66 HIS HD2 1 1 3 3395 1 1 66 HIS HE1 H 3.701 -6.809 7.006 1.00 . A A . 66 HIS HE1 1 1 3 3396 1 1 66 HIS N N 1.941 -9.167 2.238 1.00 . A A . 66 HIS N 1 1 3 3397 1 1 66 HIS ND1 N 3.690 -8.543 5.719 1.00 . A A . 66 HIS ND1 1 1 3 3398 1 1 66 HIS NE2 N 1.811 -7.644 6.483 1.00 . A A . 66 HIS NE2 1 1 3 3399 1 1 66 HIS O O 2.384 -12.032 1.874 1.00 . A A . 66 HIS O 1 1 3 3400 1 1 67 ILE C C 5.264 -13.562 1.666 1.00 . A A . 67 ILE C 1 1 3 3401 1 1 67 ILE CA C 4.794 -12.543 0.620 1.00 . A A . 67 ILE CA 1 1 3 3402 1 1 67 ILE CB C 5.823 -12.247 -0.491 1.00 . A A . 67 ILE CB 1 1 3 3403 1 1 67 ILE CD1 C 4.016 -11.115 -1.964 1.00 . A A . 67 ILE CD1 1 1 3 3404 1 1 67 ILE CG1 C 5.421 -11.035 -1.354 1.00 . A A . 67 ILE CG1 1 1 3 3405 1 1 67 ILE CG2 C 6.032 -13.474 -1.394 1.00 . A A . 67 ILE CG2 1 1 3 3406 1 1 67 ILE H H 5.139 -10.580 1.405 1.00 . A A . 67 ILE H 1 1 3 3407 1 1 67 ILE HA H 3.907 -12.957 0.137 1.00 . A A . 67 ILE HA 1 1 3 3408 1 1 67 ILE HB H 6.781 -12.002 -0.028 1.00 . A A . 67 ILE HB 1 1 3 3409 1 1 67 ILE HD11 H 3.918 -11.998 -2.595 1.00 . A A . 67 ILE HD11 1 1 3 3410 1 1 67 ILE HD12 H 3.254 -11.137 -1.186 1.00 . A A . 67 ILE HD12 1 1 3 3411 1 1 67 ILE HD13 H 3.846 -10.232 -2.579 1.00 . A A . 67 ILE HD13 1 1 3 3412 1 1 67 ILE HG12 H 5.481 -10.125 -0.754 1.00 . A A . 67 ILE HG12 1 1 3 3413 1 1 67 ILE HG13 H 6.140 -10.939 -2.168 1.00 . A A . 67 ILE HG13 1 1 3 3414 1 1 67 ILE HG21 H 5.085 -13.804 -1.819 1.00 . A A . 67 ILE HG21 1 1 3 3415 1 1 67 ILE HG22 H 6.717 -13.223 -2.205 1.00 . A A . 67 ILE HG22 1 1 3 3416 1 1 67 ILE HG23 H 6.464 -14.299 -0.831 1.00 . A A . 67 ILE HG23 1 1 3 3417 1 1 67 ILE N N 4.442 -11.316 1.320 1.00 . A A . 67 ILE N 1 1 3 3418 1 1 67 ILE O O 6.413 -14.001 1.658 1.00 . A A . 67 ILE O 1 1 3 3419 1 1 68 LYS C C 3.248 -15.205 4.277 1.00 . A A . 68 LYS C 1 1 3 3420 1 1 68 LYS CA C 4.605 -14.906 3.634 1.00 . A A . 68 LYS CA 1 1 3 3421 1 1 68 LYS CB C 5.599 -14.378 4.688 1.00 . A A . 68 LYS CB 1 1 3 3422 1 1 68 LYS CD C 5.772 -16.710 5.702 1.00 . A A . 68 LYS CD 1 1 3 3423 1 1 68 LYS CE C 6.678 -17.722 6.407 1.00 . A A . 68 LYS CE 1 1 3 3424 1 1 68 LYS CG C 6.537 -15.462 5.241 1.00 . A A . 68 LYS CG 1 1 3 3425 1 1 68 LYS H H 3.430 -13.529 2.589 1.00 . A A . 68 LYS H 1 1 3 3426 1 1 68 LYS HA H 4.995 -15.797 3.141 1.00 . A A . 68 LYS HA 1 1 3 3427 1 1 68 LYS HB2 H 6.231 -13.602 4.256 1.00 . A A . 68 LYS HB2 1 1 3 3428 1 1 68 LYS HB3 H 5.041 -13.927 5.512 1.00 . A A . 68 LYS HB3 1 1 3 3429 1 1 68 LYS HD2 H 4.963 -16.402 6.368 1.00 . A A . 68 LYS HD2 1 1 3 3430 1 1 68 LYS HD3 H 5.338 -17.194 4.828 1.00 . A A . 68 LYS HD3 1 1 3 3431 1 1 68 LYS HE2 H 7.549 -17.927 5.778 1.00 . A A . 68 LYS HE2 1 1 3 3432 1 1 68 LYS HE3 H 7.022 -17.302 7.354 1.00 . A A . 68 LYS HE3 1 1 3 3433 1 1 68 LYS HG2 H 7.245 -15.736 4.456 1.00 . A A . 68 LYS HG2 1 1 3 3434 1 1 68 LYS HG3 H 7.089 -15.031 6.078 1.00 . A A . 68 LYS HG3 1 1 3 3435 1 1 68 LYS HZ1 H 5.665 -19.391 5.771 1.00 . A A . 68 LYS HZ1 1 1 3 3436 1 1 68 LYS HZ2 H 6.555 -19.644 7.133 1.00 . A A . 68 LYS HZ2 1 1 3 3437 1 1 68 LYS HZ3 H 5.133 -18.813 7.211 1.00 . A A . 68 LYS HZ3 1 1 3 3438 1 1 68 LYS N N 4.375 -13.916 2.600 1.00 . A A . 68 LYS N 1 1 3 3439 1 1 68 LYS NZ N 5.957 -18.988 6.652 1.00 . A A . 68 LYS NZ 1 1 3 3440 1 1 68 LYS O O 2.451 -14.243 4.356 1.00 . A A . 68 LYS O 1 1 3 3441 1 1 68 LYS OXT O 3.046 -16.364 4.703 1.00 . A A . 68 LYS OXT 1 1 3 3442 2 2 1 HEC C1A C 7.659 8.145 -3.964 1.00 . B A . 69 HEC C1A 1 1 3 3443 2 2 1 HEC C1B C 5.130 9.106 -7.262 1.00 . B A . 69 HEC C1B 1 1 3 3444 2 2 1 HEC C1C C 2.122 6.473 -5.780 1.00 . B A . 69 HEC C1C 1 1 3 3445 2 2 1 HEC C1D C 4.609 5.623 -2.404 1.00 . B A . 69 HEC C1D 1 1 3 3446 2 2 1 HEC C2A C 8.726 9.056 -4.316 1.00 . B A . 69 HEC C2A 1 1 3 3447 2 2 1 HEC C2B C 4.436 9.517 -8.456 1.00 . B A . 69 HEC C2B 1 1 3 3448 2 2 1 HEC C2C C 0.970 5.723 -5.329 1.00 . B A . 69 HEC C2C 1 1 3 3449 2 2 1 HEC C2D C 5.340 5.203 -1.234 1.00 . B A . 69 HEC C2D 1 1 3 3450 2 2 1 HEC C3A C 8.336 9.698 -5.460 1.00 . B A . 69 HEC C3A 1 1 3 3451 2 2 1 HEC C3B C 3.210 8.894 -8.445 1.00 . B A . 69 HEC C3B 1 1 3 3452 2 2 1 HEC C3C C 1.276 5.218 -4.083 1.00 . B A . 69 HEC C3C 1 1 3 3453 2 2 1 HEC C3D C 6.620 5.682 -1.354 1.00 . B A . 69 HEC C3D 1 1 3 3454 2 2 1 HEC C4A C 7.020 9.209 -5.789 1.00 . B A . 69 HEC C4A 1 1 3 3455 2 2 1 HEC C4B C 3.244 7.933 -7.355 1.00 . B A . 69 HEC C4B 1 1 3 3456 2 2 1 HEC C4C C 2.641 5.611 -3.799 1.00 . B A . 69 HEC C4C 1 1 3 3457 2 2 1 HEC C4D C 6.632 6.536 -2.519 1.00 . B A . 69 HEC C4D 1 1 3 3458 2 2 1 HEC CAA C 10.034 9.288 -3.590 1.00 . B A . 69 HEC CAA 1 1 3 3459 2 2 1 HEC CAB C 1.941 9.438 -9.083 1.00 . B A . 69 HEC CAB 1 1 3 3460 2 2 1 HEC CAC C 0.313 4.567 -3.100 1.00 . B A . 69 HEC CAC 1 1 3 3461 2 2 1 HEC CAD C 7.768 5.409 -0.402 1.00 . B A . 69 HEC CAD 1 1 3 3462 2 2 1 HEC CBA C 11.213 8.545 -4.228 1.00 . B A . 69 HEC CBA 1 1 3 3463 2 2 1 HEC CBB C 2.077 9.945 -10.526 1.00 . B A . 69 HEC CBB 1 1 3 3464 2 2 1 HEC CBC C -0.148 3.161 -3.498 1.00 . B A . 69 HEC CBC 1 1 3 3465 2 2 1 HEC CBD C 8.071 3.933 -0.122 1.00 . B A . 69 HEC CBD 1 1 3 3466 2 2 1 HEC CGA C 12.551 9.044 -3.674 1.00 . B A . 69 HEC CGA 1 1 3 3467 2 2 1 HEC CGD C 9.300 3.865 0.780 1.00 . B A . 69 HEC CGD 1 1 3 3468 2 2 1 HEC CHA C 7.708 7.309 -2.886 1.00 . B A . 69 HEC CHA 1 1 3 3469 2 2 1 HEC CHB C 6.332 9.648 -6.877 1.00 . B A . 69 HEC CHB 1 1 3 3470 2 2 1 HEC CHC C 2.161 7.156 -6.977 1.00 . B A . 69 HEC CHC 1 1 3 3471 2 2 1 HEC CHD C 3.317 5.238 -2.655 1.00 . B A . 69 HEC CHD 1 1 3 3472 2 2 1 HEC CMA C 9.138 10.709 -6.249 1.00 . B A . 69 HEC CMA 1 1 3 3473 2 2 1 HEC CMB C 4.950 10.493 -9.493 1.00 . B A . 69 HEC CMB 1 1 3 3474 2 2 1 HEC CMC C -0.330 5.568 -6.091 1.00 . B A . 69 HEC CMC 1 1 3 3475 2 2 1 HEC CMD C 4.798 4.409 -0.077 1.00 . B A . 69 HEC CMD 1 1 3 3476 2 2 1 HEC FE FE 4.871 7.292 -4.913 1.00 . B A . 69 HEC FE 1 1 3 3477 2 2 1 HEC HAA1 H 10.262 10.354 -3.609 1.00 . B A . 69 HEC HAA1 1 1 3 3478 2 2 1 HEC HAA2 H 9.979 9.000 -2.543 1.00 . B A . 69 HEC HAA2 1 1 3 3479 2 2 1 HEC HAB H 1.186 8.660 -9.107 1.00 . B A . 69 HEC HAB 1 1 3 3480 2 2 1 HEC HAC H 0.778 4.466 -2.124 1.00 . B A . 69 HEC HAC 1 1 3 3481 2 2 1 HEC HAD1 H 8.693 5.799 -0.816 1.00 . B A . 69 HEC HAD1 1 1 3 3482 2 2 1 HEC HAD2 H 7.589 5.895 0.550 1.00 . B A . 69 HEC HAD2 1 1 3 3483 2 2 1 HEC HBA1 H 11.106 7.477 -4.029 1.00 . B A . 69 HEC HBA1 1 1 3 3484 2 2 1 HEC HBA2 H 11.190 8.697 -5.308 1.00 . B A . 69 HEC HBA2 1 1 3 3485 2 2 1 HEC HBB1 H 2.614 9.213 -11.130 1.00 . B A . 69 HEC HBB1 1 1 3 3486 2 2 1 HEC HBB2 H 1.094 10.084 -10.970 1.00 . B A . 69 HEC HBB2 1 1 3 3487 2 2 1 HEC HBB3 H 2.582 10.908 -10.556 1.00 . B A . 69 HEC HBB3 1 1 3 3488 2 2 1 HEC HBC1 H 0.716 2.519 -3.679 1.00 . B A . 69 HEC HBC1 1 1 3 3489 2 2 1 HEC HBC2 H -0.747 2.726 -2.699 1.00 . B A . 69 HEC HBC2 1 1 3 3490 2 2 1 HEC HBC3 H -0.750 3.200 -4.399 1.00 . B A . 69 HEC HBC3 1 1 3 3491 2 2 1 HEC HBD1 H 7.234 3.455 0.382 1.00 . B A . 69 HEC HBD1 1 1 3 3492 2 2 1 HEC HBD2 H 8.265 3.413 -1.061 1.00 . B A . 69 HEC HBD2 1 1 3 3493 2 2 1 HEC HHA H 8.618 7.278 -2.321 1.00 . B A . 69 HEC HHA 1 1 3 3494 2 2 1 HEC HHB H 6.752 10.466 -7.422 1.00 . B A . 69 HEC HHB 1 1 3 3495 2 2 1 HEC HHC H 1.287 7.140 -7.594 1.00 . B A . 69 HEC HHC 1 1 3 3496 2 2 1 HEC HHD H 2.834 4.571 -1.966 1.00 . B A . 69 HEC HHD 1 1 3 3497 2 2 1 HEC HMA1 H 10.153 10.787 -5.861 1.00 . B A . 69 HEC HMA1 1 1 3 3498 2 2 1 HEC HMA2 H 9.197 10.390 -7.289 1.00 . B A . 69 HEC HMA2 1 1 3 3499 2 2 1 HEC HMA3 H 8.661 11.686 -6.190 1.00 . B A . 69 HEC HMA3 1 1 3 3500 2 2 1 HEC HMB1 H 4.699 10.134 -10.488 1.00 . B A . 69 HEC HMB1 1 1 3 3501 2 2 1 HEC HMB2 H 4.503 11.471 -9.316 1.00 . B A . 69 HEC HMB2 1 1 3 3502 2 2 1 HEC HMB3 H 6.033 10.578 -9.457 1.00 . B A . 69 HEC HMB3 1 1 3 3503 2 2 1 HEC HMC1 H -0.154 4.930 -6.952 1.00 . B A . 69 HEC HMC1 1 1 3 3504 2 2 1 HEC HMC2 H -1.115 5.121 -5.484 1.00 . B A . 69 HEC HMC2 1 1 3 3505 2 2 1 HEC HMC3 H -0.678 6.543 -6.427 1.00 . B A . 69 HEC HMC3 1 1 3 3506 2 2 1 HEC HMD1 H 5.369 4.637 0.821 1.00 . B A . 69 HEC HMD1 1 1 3 3507 2 2 1 HEC HMD2 H 3.755 4.667 0.094 1.00 . B A . 69 HEC HMD2 1 1 3 3508 2 2 1 HEC HMD3 H 4.878 3.353 -0.314 1.00 . B A . 69 HEC HMD3 1 1 3 3509 2 2 1 HEC NA N 6.651 8.292 -4.871 1.00 . B A . 69 HEC NA 1 1 3 3510 2 2 1 HEC NB N 4.402 8.136 -6.656 1.00 . B A . 69 HEC NB 1 1 3 3511 2 2 1 HEC NC N 3.089 6.382 -4.831 1.00 . B A . 69 HEC NC 1 1 3 3512 2 2 1 HEC ND N 5.412 6.448 -3.125 1.00 . B A . 69 HEC ND 1 1 3 3513 2 2 1 HEC O1A O 12.674 9.060 -2.429 1.00 . B A . 69 HEC O1A 1 1 3 3514 2 2 1 HEC O1D O 10.437 3.970 0.267 1.00 . B A . 69 HEC O1D 1 1 3 3515 2 2 1 HEC O2A O 13.410 9.427 -4.496 1.00 . B A . 69 HEC O2A 1 1 3 3516 2 2 1 HEC O2D O 9.138 3.918 2.021 1.00 . B A . 69 HEC O2D 1 1 3 3517 3 2 1 HEC C1A C -2.337 -4.401 -4.861 1.00 . C A . 70 HEC C1A 1 1 3 3518 3 2 1 HEC C1B C -0.592 -2.448 -1.467 1.00 . C A . 70 HEC C1B 1 1 3 3519 3 2 1 HEC C1C C -3.258 0.843 -1.987 1.00 . C A . 70 HEC C1C 1 1 3 3520 3 2 1 HEC C1D C -5.223 -1.257 -5.126 1.00 . C A . 70 HEC C1D 1 1 3 3521 3 2 1 HEC C2A C -1.461 -5.548 -4.861 1.00 . C A . 70 HEC C2A 1 1 3 3522 3 2 1 HEC C2B C 0.043 -1.939 -0.268 1.00 . C A . 70 HEC C2B 1 1 3 3523 3 2 1 HEC C2C C -4.054 2.041 -2.056 1.00 . C A . 70 HEC C2C 1 1 3 3524 3 2 1 HEC C2D C -5.945 -1.792 -6.253 1.00 . C A . 70 HEC C2D 1 1 3 3525 3 2 1 HEC C3A C -0.570 -5.381 -3.828 1.00 . C A . 70 HEC C3A 1 1 3 3526 3 2 1 HEC C3B C -0.479 -0.690 -0.025 1.00 . C A . 70 HEC C3B 1 1 3 3527 3 2 1 HEC C3C C -5.056 1.806 -2.969 1.00 . C A . 70 HEC C3C 1 1 3 3528 3 2 1 HEC C3D C -5.368 -2.998 -6.568 1.00 . C A . 70 HEC C3D 1 1 3 3529 3 2 1 HEC C4A C -0.893 -4.130 -3.175 1.00 . C A . 70 HEC C4A 1 1 3 3530 3 2 1 HEC C4B C -1.478 -0.454 -1.047 1.00 . C A . 70 HEC C4B 1 1 3 3531 3 2 1 HEC C4C C -4.791 0.505 -3.551 1.00 . C A . 70 HEC C4C 1 1 3 3532 3 2 1 HEC C4D C -4.251 -3.179 -5.667 1.00 . C A . 70 HEC C4D 1 1 3 3533 3 2 1 HEC CAA C -1.595 -6.774 -5.737 1.00 . C A . 70 HEC CAA 1 1 3 3534 3 2 1 HEC CAB C -0.097 0.247 1.118 1.00 . C A . 70 HEC CAB 1 1 3 3535 3 2 1 HEC CAC C -6.286 2.667 -3.199 1.00 . C A . 70 HEC CAC 1 1 3 3536 3 2 1 HEC CAD C -5.721 -3.870 -7.754 1.00 . C A . 70 HEC CAD 1 1 3 3537 3 2 1 HEC CBA C -2.661 -7.749 -5.217 1.00 . C A . 70 HEC CBA 1 1 3 3538 3 2 1 HEC CBB C 1.387 0.624 1.106 1.00 . C A . 70 HEC CBB 1 1 3 3539 3 2 1 HEC CBC C -6.032 3.903 -4.048 1.00 . C A . 70 HEC CBC 1 1 3 3540 3 2 1 HEC CBD C -4.806 -3.579 -8.954 1.00 . C A . 70 HEC CBD 1 1 3 3541 3 2 1 HEC CGA C -2.841 -8.969 -6.126 1.00 . C A . 70 HEC CGA 1 1 3 3542 3 2 1 HEC CGD C -5.489 -3.708 -10.317 1.00 . C A . 70 HEC CGD 1 1 3 3543 3 2 1 HEC CHA C -3.393 -4.252 -5.727 1.00 . C A . 70 HEC CHA 1 1 3 3544 3 2 1 HEC CHB C -0.258 -3.655 -2.046 1.00 . C A . 70 HEC CHB 1 1 3 3545 3 2 1 HEC CHC C -2.223 0.697 -1.110 1.00 . C A . 70 HEC CHC 1 1 3 3546 3 2 1 HEC CHD C -5.535 -0.046 -4.562 1.00 . C A . 70 HEC CHD 1 1 3 3547 3 2 1 HEC CMA C 0.528 -6.350 -3.458 1.00 . C A . 70 HEC CMA 1 1 3 3548 3 2 1 HEC CMB C 1.067 -2.658 0.583 1.00 . C A . 70 HEC CMB 1 1 3 3549 3 2 1 HEC CMC C -3.828 3.298 -1.248 1.00 . C A . 70 HEC CMC 1 1 3 3550 3 2 1 HEC CMD C -7.062 -1.092 -6.997 1.00 . C A . 70 HEC CMD 1 1 3 3551 3 2 1 HEC FE FE -2.837 -1.813 -3.388 1.00 . C A . 70 HEC FE 1 1 3 3552 3 2 1 HEC HAA1 H -1.851 -6.484 -6.755 1.00 . C A . 70 HEC HAA1 1 1 3 3553 3 2 1 HEC HAA2 H -0.645 -7.306 -5.791 1.00 . C A . 70 HEC HAA2 1 1 3 3554 3 2 1 HEC HAB H -0.630 1.188 1.047 1.00 . C A . 70 HEC HAB 1 1 3 3555 3 2 1 HEC HAC H -7.040 2.094 -3.735 1.00 . C A . 70 HEC HAC 1 1 3 3556 3 2 1 HEC HAD1 H -5.643 -4.924 -7.494 1.00 . C A . 70 HEC HAD1 1 1 3 3557 3 2 1 HEC HAD2 H -6.760 -3.690 -8.029 1.00 . C A . 70 HEC HAD2 1 1 3 3558 3 2 1 HEC HBA1 H -2.373 -8.088 -4.222 1.00 . C A . 70 HEC HBA1 1 1 3 3559 3 2 1 HEC HBA2 H -3.610 -7.214 -5.136 1.00 . C A . 70 HEC HBA2 1 1 3 3560 3 2 1 HEC HBB1 H 1.641 1.135 0.176 1.00 . C A . 70 HEC HBB1 1 1 3 3561 3 2 1 HEC HBB2 H 1.621 1.276 1.945 1.00 . C A . 70 HEC HBB2 1 1 3 3562 3 2 1 HEC HBB3 H 2.006 -0.261 1.190 1.00 . C A . 70 HEC HBB3 1 1 3 3563 3 2 1 HEC HBC1 H -6.972 4.414 -4.255 1.00 . C A . 70 HEC HBC1 1 1 3 3564 3 2 1 HEC HBC2 H -5.348 4.594 -3.562 1.00 . C A . 70 HEC HBC2 1 1 3 3565 3 2 1 HEC HBC3 H -5.596 3.543 -4.976 1.00 . C A . 70 HEC HBC3 1 1 3 3566 3 2 1 HEC HBD1 H -4.464 -2.545 -8.884 1.00 . C A . 70 HEC HBD1 1 1 3 3567 3 2 1 HEC HBD2 H -3.932 -4.229 -8.901 1.00 . C A . 70 HEC HBD2 1 1 3 3568 3 2 1 HEC HHA H -3.565 -5.012 -6.468 1.00 . C A . 70 HEC HHA 1 1 3 3569 3 2 1 HEC HHB H 0.512 -4.245 -1.585 1.00 . C A . 70 HEC HHB 1 1 3 3570 3 2 1 HEC HHC H -2.028 1.492 -0.415 1.00 . C A . 70 HEC HHC 1 1 3 3571 3 2 1 HEC HHD H -6.356 0.509 -4.968 1.00 . C A . 70 HEC HHD 1 1 3 3572 3 2 1 HEC HMA1 H 0.203 -7.370 -3.660 1.00 . C A . 70 HEC HMA1 1 1 3 3573 3 2 1 HEC HMA2 H 1.422 -6.136 -4.040 1.00 . C A . 70 HEC HMA2 1 1 3 3574 3 2 1 HEC HMA3 H 0.764 -6.286 -2.400 1.00 . C A . 70 HEC HMA3 1 1 3 3575 3 2 1 HEC HMB1 H 0.908 -2.416 1.630 1.00 . C A . 70 HEC HMB1 1 1 3 3576 3 2 1 HEC HMB2 H 0.976 -3.735 0.480 1.00 . C A . 70 HEC HMB2 1 1 3 3577 3 2 1 HEC HMB3 H 2.069 -2.342 0.303 1.00 . C A . 70 HEC HMB3 1 1 3 3578 3 2 1 HEC HMC1 H -4.163 3.130 -0.228 1.00 . C A . 70 HEC HMC1 1 1 3 3579 3 2 1 HEC HMC2 H -2.771 3.564 -1.251 1.00 . C A . 70 HEC HMC2 1 1 3 3580 3 2 1 HEC HMC3 H -4.385 4.136 -1.656 1.00 . C A . 70 HEC HMC3 1 1 3 3581 3 2 1 HEC HMD1 H -7.204 -1.527 -7.985 1.00 . C A . 70 HEC HMD1 1 1 3 3582 3 2 1 HEC HMD2 H -7.987 -1.175 -6.426 1.00 . C A . 70 HEC HMD2 1 1 3 3583 3 2 1 HEC HMD3 H -6.808 -0.038 -7.127 1.00 . C A . 70 HEC HMD3 1 1 3 3584 3 2 1 HEC NA N -1.944 -3.568 -3.848 1.00 . C A . 70 HEC NA 1 1 3 3585 3 2 1 HEC NB N -1.530 -1.542 -1.871 1.00 . C A . 70 HEC NB 1 1 3 3586 3 2 1 HEC NC N -3.715 -0.035 -2.917 1.00 . C A . 70 HEC NC 1 1 3 3587 3 2 1 HEC ND N -4.220 -2.116 -4.815 1.00 . C A . 70 HEC ND 1 1 3 3588 3 2 1 HEC O1A O -1.810 -9.466 -6.632 1.00 . C A . 70 HEC O1A 1 1 3 3589 3 2 1 HEC O1D O -6.689 -3.366 -10.445 1.00 . C A . 70 HEC O1D 1 1 3 3590 3 2 1 HEC O2A O -4.009 -9.380 -6.303 1.00 . C A . 70 HEC O2A 1 1 3 3591 3 2 1 HEC O2D O -4.780 -3.927 -11.327 1.00 . C A . 70 HEC O2D 1 1 3 3592 4 2 1 HEC C1A C 2.624 -5.777 9.399 1.00 . D A . 71 HEC C1A 1 1 3 3593 4 2 1 HEC C1B C -0.414 -8.774 9.132 1.00 . D A . 71 HEC C1B 1 1 3 3594 4 2 1 HEC C1C C -1.550 -7.237 5.336 1.00 . D A . 71 HEC C1C 1 1 3 3595 4 2 1 HEC C1D C 1.438 -4.198 5.611 1.00 . D A . 71 HEC C1D 1 1 3 3596 4 2 1 HEC C2A C 3.125 -6.178 10.698 1.00 . D A . 71 HEC C2A 1 1 3 3597 4 2 1 HEC C2B C -1.366 -9.860 9.172 1.00 . D A . 71 HEC C2B 1 1 3 3598 4 2 1 HEC C2C C -2.064 -6.866 4.044 1.00 . D A . 71 HEC C2C 1 1 3 3599 4 2 1 HEC C2D C 2.406 -3.131 5.546 1.00 . D A . 71 HEC C2D 1 1 3 3600 4 2 1 HEC C3A C 2.323 -7.207 11.131 1.00 . D A . 71 HEC C3A 1 1 3 3601 4 2 1 HEC C3B C -2.153 -9.753 8.049 1.00 . D A . 71 HEC C3B 1 1 3 3602 4 2 1 HEC C3C C -1.412 -5.714 3.667 1.00 . D A . 71 HEC C3C 1 1 3 3603 4 2 1 HEC C3D C 3.251 -3.258 6.621 1.00 . D A . 71 HEC C3D 1 1 3 3604 4 2 1 HEC C4A C 1.365 -7.470 10.086 1.00 . D A . 71 HEC C4A 1 1 3 3605 4 2 1 HEC C4B C -1.560 -8.704 7.244 1.00 . D A . 71 HEC C4B 1 1 3 3606 4 2 1 HEC C4C C -0.411 -5.454 4.688 1.00 . D A . 71 HEC C4C 1 1 3 3607 4 2 1 HEC C4D C 2.714 -4.344 7.433 1.00 . D A . 71 HEC C4D 1 1 3 3608 4 2 1 HEC CAA C 4.451 -5.781 11.319 1.00 . D A . 71 HEC CAA 1 1 3 3609 4 2 1 HEC CAB C -3.537 -10.364 7.850 1.00 . D A . 71 HEC CAB 1 1 3 3610 4 2 1 HEC CAC C -1.636 -4.935 2.378 1.00 . D A . 71 HEC CAC 1 1 3 3611 4 2 1 HEC CAD C 4.475 -2.361 6.805 1.00 . D A . 71 HEC CAD 1 1 3 3612 4 2 1 HEC CBA C 5.511 -6.766 10.850 1.00 . D A . 71 HEC CBA 1 1 3 3613 4 2 1 HEC CBB C -4.467 -10.158 9.050 1.00 . D A . 71 HEC CBB 1 1 3 3614 4 2 1 HEC CBC C -3.073 -4.431 2.188 1.00 . D A . 71 HEC CBC 1 1 3 3615 4 2 1 HEC CBD C 5.326 -2.520 8.063 1.00 . D A . 71 HEC CBD 1 1 3 3616 4 2 1 HEC CGA C 6.934 -6.576 11.366 1.00 . D A . 71 HEC CGA 1 1 3 3617 4 2 1 HEC CGD C 6.333 -1.394 8.292 1.00 . D A . 71 HEC CGD 1 1 3 3618 4 2 1 HEC CHA C 3.213 -4.795 8.641 1.00 . D A . 71 HEC CHA 1 1 3 3619 4 2 1 HEC CHB C 0.461 -8.506 10.155 1.00 . D A . 71 HEC CHB 1 1 3 3620 4 2 1 HEC CHC C -2.043 -8.309 6.024 1.00 . D A . 71 HEC CHC 1 1 3 3621 4 2 1 HEC CHD C 0.500 -4.421 4.626 1.00 . D A . 71 HEC CHD 1 1 3 3622 4 2 1 HEC CMA C 2.469 -7.993 12.414 1.00 . D A . 71 HEC CMA 1 1 3 3623 4 2 1 HEC CMB C -1.472 -10.906 10.258 1.00 . D A . 71 HEC CMB 1 1 3 3624 4 2 1 HEC CMC C -3.066 -7.683 3.258 1.00 . D A . 71 HEC CMC 1 1 3 3625 4 2 1 HEC CMD C 2.498 -2.067 4.477 1.00 . D A . 71 HEC CMD 1 1 3 3626 4 2 1 HEC FE FE 0.527 -6.500 7.397 1.00 . D A . 71 HEC FE 1 1 3 3627 4 2 1 HEC HAA1 H 4.766 -4.782 11.037 1.00 . D A . 71 HEC HAA1 1 1 3 3628 4 2 1 HEC HAA2 H 4.400 -5.828 12.402 1.00 . D A . 71 HEC HAA2 1 1 3 3629 4 2 1 HEC HAB H -4.035 -9.854 7.033 1.00 . D A . 71 HEC HAB 1 1 3 3630 4 2 1 HEC HAC H -1.010 -4.048 2.357 1.00 . D A . 71 HEC HAC 1 1 3 3631 4 2 1 HEC HAD1 H 5.144 -2.485 5.954 1.00 . D A . 71 HEC HAD1 1 1 3 3632 4 2 1 HEC HAD2 H 4.137 -1.324 6.807 1.00 . D A . 71 HEC HAD2 1 1 3 3633 4 2 1 HEC HBA1 H 5.175 -7.728 11.221 1.00 . D A . 71 HEC HBA1 1 1 3 3634 4 2 1 HEC HBA2 H 5.523 -6.746 9.759 1.00 . D A . 71 HEC HBA2 1 1 3 3635 4 2 1 HEC HBB1 H -4.499 -9.101 9.316 1.00 . D A . 71 HEC HBB1 1 1 3 3636 4 2 1 HEC HBB2 H -5.474 -10.484 8.787 1.00 . D A . 71 HEC HBB2 1 1 3 3637 4 2 1 HEC HBB3 H -4.135 -10.735 9.912 1.00 . D A . 71 HEC HBB3 1 1 3 3638 4 2 1 HEC HBC1 H -3.135 -3.866 1.257 1.00 . D A . 71 HEC HBC1 1 1 3 3639 4 2 1 HEC HBC2 H -3.778 -5.257 2.138 1.00 . D A . 71 HEC HBC2 1 1 3 3640 4 2 1 HEC HBC3 H -3.346 -3.784 3.020 1.00 . D A . 71 HEC HBC3 1 1 3 3641 4 2 1 HEC HBD1 H 4.636 -2.437 8.886 1.00 . D A . 71 HEC HBD1 1 1 3 3642 4 2 1 HEC HBD2 H 5.822 -3.488 8.084 1.00 . D A . 71 HEC HBD2 1 1 3 3643 4 2 1 HEC HHA H 4.098 -4.371 9.042 1.00 . D A . 71 HEC HHA 1 1 3 3644 4 2 1 HEC HHB H 0.433 -9.110 11.040 1.00 . D A . 71 HEC HHB 1 1 3 3645 4 2 1 HEC HHC H -2.869 -8.819 5.590 1.00 . D A . 71 HEC HHC 1 1 3 3646 4 2 1 HEC HHD H 0.519 -3.791 3.756 1.00 . D A . 71 HEC HHD 1 1 3 3647 4 2 1 HEC HMA1 H 1.575 -7.854 13.023 1.00 . D A . 71 HEC HMA1 1 1 3 3648 4 2 1 HEC HMA2 H 2.594 -9.048 12.180 1.00 . D A . 71 HEC HMA2 1 1 3 3649 4 2 1 HEC HMA3 H 3.337 -7.666 12.982 1.00 . D A . 71 HEC HMA3 1 1 3 3650 4 2 1 HEC HMB1 H -1.975 -10.481 11.126 1.00 . D A . 71 HEC HMB1 1 1 3 3651 4 2 1 HEC HMB2 H -2.033 -11.766 9.892 1.00 . D A . 71 HEC HMB2 1 1 3 3652 4 2 1 HEC HMB3 H -0.477 -11.243 10.541 1.00 . D A . 71 HEC HMB3 1 1 3 3653 4 2 1 HEC HMC1 H -3.099 -7.377 2.216 1.00 . D A . 71 HEC HMC1 1 1 3 3654 4 2 1 HEC HMC2 H -2.770 -8.732 3.289 1.00 . D A . 71 HEC HMC2 1 1 3 3655 4 2 1 HEC HMC3 H -4.055 -7.578 3.705 1.00 . D A . 71 HEC HMC3 1 1 3 3656 4 2 1 HEC HMD1 H 1.504 -1.736 4.187 1.00 . D A . 71 HEC HMD1 1 1 3 3657 4 2 1 HEC HMD2 H 3.056 -1.200 4.830 1.00 . D A . 71 HEC HMD2 1 1 3 3658 4 2 1 HEC HMD3 H 3.003 -2.473 3.609 1.00 . D A . 71 HEC HMD3 1 1 3 3659 4 2 1 HEC NA N 1.567 -6.579 9.084 1.00 . D A . 71 HEC NA 1 1 3 3660 4 2 1 HEC NB N -0.548 -8.131 7.950 1.00 . D A . 71 HEC NB 1 1 3 3661 4 2 1 HEC NC N -0.554 -6.397 5.676 1.00 . D A . 71 HEC NC 1 1 3 3662 4 2 1 HEC ND N 1.640 -4.878 6.772 1.00 . D A . 71 HEC ND 1 1 3 3663 4 2 1 HEC O1A O 7.119 -5.723 12.261 1.00 . D A . 71 HEC O1A 1 1 3 3664 4 2 1 HEC O1D O 6.307 -0.872 9.435 1.00 . D A . 71 HEC O1D 1 1 3 3665 4 2 1 HEC O2A O 7.800 -7.334 10.859 1.00 . D A . 71 HEC O2A 1 1 3 3666 4 2 1 HEC O2D O 7.041 -1.027 7.334 1.00 . D A . 71 HEC O2D 1 1 4 3667 1 1 1 ALA C C 9.591 2.450 -8.774 1.00 . A A . 1 ALA C 1 1 4 3668 1 1 1 ALA CA C 10.667 3.479 -8.456 1.00 . A A . 1 ALA CA 1 1 4 3669 1 1 1 ALA CB C 11.974 2.770 -8.085 1.00 . A A . 1 ALA CB 1 1 4 3670 1 1 1 ALA H1 H 9.813 3.660 -6.657 1.00 . A A . 1 ALA H1 1 1 4 3671 1 1 1 ALA H2 H 10.917 4.877 -6.952 1.00 . A A . 1 ALA H2 1 1 4 3672 1 1 1 ALA H3 H 9.415 4.885 -7.663 1.00 . A A . 1 ALA H3 1 1 4 3673 1 1 1 ALA HA H 10.843 4.114 -9.326 1.00 . A A . 1 ALA HA 1 1 4 3674 1 1 1 ALA HB1 H 12.747 3.502 -7.851 1.00 . A A . 1 ALA HB1 1 1 4 3675 1 1 1 ALA HB2 H 11.818 2.121 -7.221 1.00 . A A . 1 ALA HB2 1 1 4 3676 1 1 1 ALA HB3 H 12.310 2.159 -8.925 1.00 . A A . 1 ALA HB3 1 1 4 3677 1 1 1 ALA N N 10.180 4.309 -7.342 1.00 . A A . 1 ALA N 1 1 4 3678 1 1 1 ALA O O 8.790 2.157 -7.887 1.00 . A A . 1 ALA O 1 1 4 3679 1 1 2 ASP C C 8.756 -0.330 -9.589 1.00 . A A . 2 ASP C 1 1 4 3680 1 1 2 ASP CA C 8.695 0.898 -10.501 1.00 . A A . 2 ASP CA 1 1 4 3681 1 1 2 ASP CB C 9.111 0.540 -11.940 1.00 . A A . 2 ASP CB 1 1 4 3682 1 1 2 ASP CG C 9.203 1.746 -12.867 1.00 . A A . 2 ASP CG 1 1 4 3683 1 1 2 ASP H H 10.133 2.368 -10.745 1.00 . A A . 2 ASP H 1 1 4 3684 1 1 2 ASP HA H 7.677 1.284 -10.531 1.00 . A A . 2 ASP HA 1 1 4 3685 1 1 2 ASP HB2 H 10.094 0.067 -11.931 1.00 . A A . 2 ASP HB2 1 1 4 3686 1 1 2 ASP HB3 H 8.395 -0.172 -12.351 1.00 . A A . 2 ASP HB3 1 1 4 3687 1 1 2 ASP N N 9.570 1.944 -10.005 1.00 . A A . 2 ASP N 1 1 4 3688 1 1 2 ASP O O 9.619 -1.187 -9.760 1.00 . A A . 2 ASP O 1 1 4 3689 1 1 2 ASP OD1 O 9.949 2.682 -12.494 1.00 . A A . 2 ASP OD1 1 1 4 3690 1 1 2 ASP OD2 O 8.529 1.713 -13.917 1.00 . A A . 2 ASP OD2 1 1 4 3691 1 1 3 VAL C C 8.731 -1.131 -6.488 1.00 . A A . 3 VAL C 1 1 4 3692 1 1 3 VAL CA C 7.714 -1.412 -7.598 1.00 . A A . 3 VAL CA 1 1 4 3693 1 1 3 VAL CB C 7.800 -2.858 -8.140 1.00 . A A . 3 VAL CB 1 1 4 3694 1 1 3 VAL CG1 C 7.374 -3.864 -7.059 1.00 . A A . 3 VAL CG1 1 1 4 3695 1 1 3 VAL CG2 C 6.922 -3.079 -9.384 1.00 . A A . 3 VAL CG2 1 1 4 3696 1 1 3 VAL H H 7.271 0.439 -8.508 1.00 . A A . 3 VAL H 1 1 4 3697 1 1 3 VAL HA H 6.723 -1.282 -7.172 1.00 . A A . 3 VAL HA 1 1 4 3698 1 1 3 VAL HB H 8.831 -3.094 -8.404 1.00 . A A . 3 VAL HB 1 1 4 3699 1 1 3 VAL HG11 H 8.037 -3.801 -6.197 1.00 . A A . 3 VAL HG11 1 1 4 3700 1 1 3 VAL HG12 H 6.350 -3.673 -6.738 1.00 . A A . 3 VAL HG12 1 1 4 3701 1 1 3 VAL HG13 H 7.431 -4.877 -7.458 1.00 . A A . 3 VAL HG13 1 1 4 3702 1 1 3 VAL HG21 H 7.299 -2.514 -10.235 1.00 . A A . 3 VAL HG21 1 1 4 3703 1 1 3 VAL HG22 H 6.928 -4.135 -9.654 1.00 . A A . 3 VAL HG22 1 1 4 3704 1 1 3 VAL HG23 H 5.895 -2.778 -9.190 1.00 . A A . 3 VAL HG23 1 1 4 3705 1 1 3 VAL N N 7.821 -0.396 -8.637 1.00 . A A . 3 VAL N 1 1 4 3706 1 1 3 VAL O O 9.892 -0.826 -6.756 1.00 . A A . 3 VAL O 1 1 4 3707 1 1 4 VAL C C 8.715 -2.262 -3.117 1.00 . A A . 4 VAL C 1 1 4 3708 1 1 4 VAL CA C 9.156 -1.153 -4.061 1.00 . A A . 4 VAL CA 1 1 4 3709 1 1 4 VAL CB C 9.070 0.232 -3.394 1.00 . A A . 4 VAL CB 1 1 4 3710 1 1 4 VAL CG1 C 9.795 0.297 -2.035 1.00 . A A . 4 VAL CG1 1 1 4 3711 1 1 4 VAL CG2 C 9.690 1.301 -4.295 1.00 . A A . 4 VAL CG2 1 1 4 3712 1 1 4 VAL H H 7.319 -1.468 -5.050 1.00 . A A . 4 VAL H 1 1 4 3713 1 1 4 VAL HA H 10.193 -1.345 -4.324 1.00 . A A . 4 VAL HA 1 1 4 3714 1 1 4 VAL HB H 8.021 0.480 -3.259 1.00 . A A . 4 VAL HB 1 1 4 3715 1 1 4 VAL HG11 H 10.830 -0.024 -2.144 1.00 . A A . 4 VAL HG11 1 1 4 3716 1 1 4 VAL HG12 H 9.778 1.315 -1.650 1.00 . A A . 4 VAL HG12 1 1 4 3717 1 1 4 VAL HG13 H 9.315 -0.339 -1.292 1.00 . A A . 4 VAL HG13 1 1 4 3718 1 1 4 VAL HG21 H 10.733 1.051 -4.484 1.00 . A A . 4 VAL HG21 1 1 4 3719 1 1 4 VAL HG22 H 9.149 1.356 -5.237 1.00 . A A . 4 VAL HG22 1 1 4 3720 1 1 4 VAL HG23 H 9.634 2.266 -3.793 1.00 . A A . 4 VAL HG23 1 1 4 3721 1 1 4 VAL N N 8.288 -1.210 -5.231 1.00 . A A . 4 VAL N 1 1 4 3722 1 1 4 VAL O O 7.600 -2.778 -3.236 1.00 . A A . 4 VAL O 1 1 4 3723 1 1 5 THR C C 9.686 -2.506 0.304 1.00 . A A . 5 THR C 1 1 4 3724 1 1 5 THR CA C 9.133 -3.214 -0.931 1.00 . A A . 5 THR CA 1 1 4 3725 1 1 5 THR CB C 9.484 -4.707 -0.935 1.00 . A A . 5 THR CB 1 1 4 3726 1 1 5 THR CG2 C 10.940 -4.994 -1.312 1.00 . A A . 5 THR CG2 1 1 4 3727 1 1 5 THR H H 10.498 -2.196 -2.123 1.00 . A A . 5 THR H 1 1 4 3728 1 1 5 THR HA H 8.060 -3.040 -0.883 1.00 . A A . 5 THR HA 1 1 4 3729 1 1 5 THR HB H 8.859 -5.198 -1.676 1.00 . A A . 5 THR HB 1 1 4 3730 1 1 5 THR HG1 H 8.324 -4.846 0.546 1.00 . A A . 5 THR HG1 1 1 4 3731 1 1 5 THR HG21 H 11.164 -6.045 -1.128 1.00 . A A . 5 THR HG21 1 1 4 3732 1 1 5 THR HG22 H 11.098 -4.788 -2.371 1.00 . A A . 5 THR HG22 1 1 4 3733 1 1 5 THR HG23 H 11.616 -4.373 -0.732 1.00 . A A . 5 THR HG23 1 1 4 3734 1 1 5 THR N N 9.575 -2.600 -2.156 1.00 . A A . 5 THR N 1 1 4 3735 1 1 5 THR O O 10.787 -1.963 0.285 1.00 . A A . 5 THR O 1 1 4 3736 1 1 5 THR OG1 O 9.191 -5.215 0.346 1.00 . A A . 5 THR OG1 1 1 4 3737 1 1 6 TYR C C 10.299 -3.017 3.381 1.00 . A A . 6 TYR C 1 1 4 3738 1 1 6 TYR CA C 9.257 -2.102 2.713 1.00 . A A . 6 TYR CA 1 1 4 3739 1 1 6 TYR CB C 8.002 -1.990 3.595 1.00 . A A . 6 TYR CB 1 1 4 3740 1 1 6 TYR CD1 C 7.147 0.177 2.588 1.00 . A A . 6 TYR CD1 1 1 4 3741 1 1 6 TYR CD2 C 5.565 -1.618 2.990 1.00 . A A . 6 TYR CD2 1 1 4 3742 1 1 6 TYR CE1 C 6.152 0.887 1.900 1.00 . A A . 6 TYR CE1 1 1 4 3743 1 1 6 TYR CE2 C 4.583 -0.923 2.267 1.00 . A A . 6 TYR CE2 1 1 4 3744 1 1 6 TYR CG C 6.879 -1.120 3.059 1.00 . A A . 6 TYR CG 1 1 4 3745 1 1 6 TYR CZ C 4.888 0.314 1.691 1.00 . A A . 6 TYR CZ 1 1 4 3746 1 1 6 TYR H H 7.952 -2.901 1.236 1.00 . A A . 6 TYR H 1 1 4 3747 1 1 6 TYR HA H 9.691 -1.113 2.630 1.00 . A A . 6 TYR HA 1 1 4 3748 1 1 6 TYR HB2 H 7.620 -2.997 3.741 1.00 . A A . 6 TYR HB2 1 1 4 3749 1 1 6 TYR HB3 H 8.295 -1.590 4.568 1.00 . A A . 6 TYR HB3 1 1 4 3750 1 1 6 TYR HD1 H 8.140 0.595 2.657 1.00 . A A . 6 TYR HD1 1 1 4 3751 1 1 6 TYR HD2 H 5.308 -2.553 3.452 1.00 . A A . 6 TYR HD2 1 1 4 3752 1 1 6 TYR HE1 H 6.435 1.774 1.365 1.00 . A A . 6 TYR HE1 1 1 4 3753 1 1 6 TYR HE2 H 3.623 -1.371 2.072 1.00 . A A . 6 TYR HE2 1 1 4 3754 1 1 6 TYR HH H 4.458 1.104 -0.015 1.00 . A A . 6 TYR HH 1 1 4 3755 1 1 6 TYR N N 8.883 -2.536 1.374 1.00 . A A . 6 TYR N 1 1 4 3756 1 1 6 TYR O O 10.960 -2.584 4.320 1.00 . A A . 6 TYR O 1 1 4 3757 1 1 6 TYR OH O 4.013 0.865 0.804 1.00 . A A . 6 TYR OH 1 1 4 3758 1 1 7 GLU C C 11.164 -5.394 5.071 1.00 . A A . 7 GLU C 1 1 4 3759 1 1 7 GLU CA C 11.273 -5.303 3.543 1.00 . A A . 7 GLU CA 1 1 4 3760 1 1 7 GLU CB C 12.722 -5.174 3.123 1.00 . A A . 7 GLU CB 1 1 4 3761 1 1 7 GLU CD C 14.370 -5.564 1.251 1.00 . A A . 7 GLU CD 1 1 4 3762 1 1 7 GLU CG C 12.926 -5.233 1.608 1.00 . A A . 7 GLU CG 1 1 4 3763 1 1 7 GLU H H 9.991 -4.527 2.058 1.00 . A A . 7 GLU H 1 1 4 3764 1 1 7 GLU HA H 10.949 -6.251 3.131 1.00 . A A . 7 GLU HA 1 1 4 3765 1 1 7 GLU HB2 H 13.081 -4.232 3.513 1.00 . A A . 7 GLU HB2 1 1 4 3766 1 1 7 GLU HB3 H 13.242 -6.001 3.604 1.00 . A A . 7 GLU HB3 1 1 4 3767 1 1 7 GLU HG2 H 12.296 -6.005 1.171 1.00 . A A . 7 GLU HG2 1 1 4 3768 1 1 7 GLU HG3 H 12.668 -4.262 1.189 1.00 . A A . 7 GLU HG3 1 1 4 3769 1 1 7 GLU N N 10.433 -4.275 2.931 1.00 . A A . 7 GLU N 1 1 4 3770 1 1 7 GLU O O 12.040 -4.967 5.820 1.00 . A A . 7 GLU O 1 1 4 3771 1 1 7 GLU OE1 O 14.851 -6.602 1.757 1.00 . A A . 7 GLU OE1 1 1 4 3772 1 1 7 GLU OE2 O 14.961 -4.785 0.475 1.00 . A A . 7 GLU OE2 1 1 4 3773 1 1 8 ASN C C 10.024 -7.664 7.340 1.00 . A A . 8 ASN C 1 1 4 3774 1 1 8 ASN CA C 9.747 -6.224 6.924 1.00 . A A . 8 ASN CA 1 1 4 3775 1 1 8 ASN CB C 8.273 -5.864 7.160 1.00 . A A . 8 ASN CB 1 1 4 3776 1 1 8 ASN CG C 7.788 -4.819 6.170 1.00 . A A . 8 ASN CG 1 1 4 3777 1 1 8 ASN H H 9.506 -6.437 4.806 1.00 . A A . 8 ASN H 1 1 4 3778 1 1 8 ASN HA H 10.353 -5.555 7.536 1.00 . A A . 8 ASN HA 1 1 4 3779 1 1 8 ASN HB2 H 7.653 -6.756 7.077 1.00 . A A . 8 ASN HB2 1 1 4 3780 1 1 8 ASN HB3 H 8.157 -5.454 8.163 1.00 . A A . 8 ASN HB3 1 1 4 3781 1 1 8 ASN HD21 H 6.429 -6.108 5.387 1.00 . A A . 8 ASN HD21 1 1 4 3782 1 1 8 ASN HD22 H 6.527 -4.514 4.649 1.00 . A A . 8 ASN HD22 1 1 4 3783 1 1 8 ASN N N 10.101 -6.054 5.514 1.00 . A A . 8 ASN N 1 1 4 3784 1 1 8 ASN ND2 N 6.866 -5.208 5.296 1.00 . A A . 8 ASN ND2 1 1 4 3785 1 1 8 ASN O O 10.296 -8.510 6.485 1.00 . A A . 8 ASN O 1 1 4 3786 1 1 8 ASN OD1 O 8.289 -3.707 6.129 1.00 . A A . 8 ASN OD1 1 1 4 3787 1 1 9 LYS C C 9.274 -10.366 8.704 1.00 . A A . 9 LYS C 1 1 4 3788 1 1 9 LYS CA C 10.256 -9.284 9.165 1.00 . A A . 9 LYS CA 1 1 4 3789 1 1 9 LYS CB C 10.350 -9.236 10.704 1.00 . A A . 9 LYS CB 1 1 4 3790 1 1 9 LYS CD C 12.877 -8.847 10.950 1.00 . A A . 9 LYS CD 1 1 4 3791 1 1 9 LYS CE C 12.880 -7.620 11.876 1.00 . A A . 9 LYS CE 1 1 4 3792 1 1 9 LYS CG C 11.687 -9.783 11.229 1.00 . A A . 9 LYS CG 1 1 4 3793 1 1 9 LYS H H 9.524 -7.276 9.290 1.00 . A A . 9 LYS H 1 1 4 3794 1 1 9 LYS HA H 11.228 -9.560 8.753 1.00 . A A . 9 LYS HA 1 1 4 3795 1 1 9 LYS HB2 H 10.207 -8.222 11.071 1.00 . A A . 9 LYS HB2 1 1 4 3796 1 1 9 LYS HB3 H 9.547 -9.842 11.128 1.00 . A A . 9 LYS HB3 1 1 4 3797 1 1 9 LYS HD2 H 13.793 -9.420 11.113 1.00 . A A . 9 LYS HD2 1 1 4 3798 1 1 9 LYS HD3 H 12.855 -8.530 9.906 1.00 . A A . 9 LYS HD3 1 1 4 3799 1 1 9 LYS HE2 H 11.933 -7.083 11.798 1.00 . A A . 9 LYS HE2 1 1 4 3800 1 1 9 LYS HE3 H 13.001 -7.953 12.910 1.00 . A A . 9 LYS HE3 1 1 4 3801 1 1 9 LYS HG2 H 11.604 -9.950 12.305 1.00 . A A . 9 LYS HG2 1 1 4 3802 1 1 9 LYS HG3 H 11.868 -10.751 10.756 1.00 . A A . 9 LYS HG3 1 1 4 3803 1 1 9 LYS HZ1 H 14.865 -7.131 11.601 1.00 . A A . 9 LYS HZ1 1 1 4 3804 1 1 9 LYS HZ2 H 13.836 -6.315 10.604 1.00 . A A . 9 LYS HZ2 1 1 4 3805 1 1 9 LYS HZ3 H 13.951 -5.896 12.187 1.00 . A A . 9 LYS HZ3 1 1 4 3806 1 1 9 LYS N N 9.914 -7.969 8.637 1.00 . A A . 9 LYS N 1 1 4 3807 1 1 9 LYS NZ N 13.966 -6.674 11.541 1.00 . A A . 9 LYS NZ 1 1 4 3808 1 1 9 LYS O O 9.593 -11.550 8.766 1.00 . A A . 9 LYS O 1 1 4 3809 1 1 10 LYS C C 7.428 -11.623 6.571 1.00 . A A . 10 LYS C 1 1 4 3810 1 1 10 LYS CA C 7.039 -10.922 7.872 1.00 . A A . 10 LYS CA 1 1 4 3811 1 1 10 LYS CB C 5.688 -10.210 7.701 1.00 . A A . 10 LYS CB 1 1 4 3812 1 1 10 LYS CD C 4.454 -10.276 9.984 1.00 . A A . 10 LYS CD 1 1 4 3813 1 1 10 LYS CE C 5.354 -11.289 10.703 1.00 . A A . 10 LYS CE 1 1 4 3814 1 1 10 LYS CG C 5.193 -9.439 8.930 1.00 . A A . 10 LYS CG 1 1 4 3815 1 1 10 LYS H H 7.866 -8.988 8.272 1.00 . A A . 10 LYS H 1 1 4 3816 1 1 10 LYS HA H 6.960 -11.694 8.630 1.00 . A A . 10 LYS HA 1 1 4 3817 1 1 10 LYS HB2 H 5.806 -9.477 6.905 1.00 . A A . 10 LYS HB2 1 1 4 3818 1 1 10 LYS HB3 H 4.927 -10.928 7.391 1.00 . A A . 10 LYS HB3 1 1 4 3819 1 1 10 LYS HD2 H 4.064 -9.565 10.710 1.00 . A A . 10 LYS HD2 1 1 4 3820 1 1 10 LYS HD3 H 3.604 -10.776 9.511 1.00 . A A . 10 LYS HD3 1 1 4 3821 1 1 10 LYS HE2 H 5.448 -12.179 10.083 1.00 . A A . 10 LYS HE2 1 1 4 3822 1 1 10 LYS HE3 H 6.339 -10.846 10.863 1.00 . A A . 10 LYS HE3 1 1 4 3823 1 1 10 LYS HG2 H 6.026 -8.906 9.380 1.00 . A A . 10 LYS HG2 1 1 4 3824 1 1 10 LYS HG3 H 4.481 -8.690 8.570 1.00 . A A . 10 LYS HG3 1 1 4 3825 1 1 10 LYS HZ1 H 3.900 -12.127 11.895 1.00 . A A . 10 LYS HZ1 1 1 4 3826 1 1 10 LYS HZ2 H 5.430 -12.375 12.439 1.00 . A A . 10 LYS HZ2 1 1 4 3827 1 1 10 LYS HZ3 H 4.732 -10.903 12.626 1.00 . A A . 10 LYS HZ3 1 1 4 3828 1 1 10 LYS N N 8.067 -9.976 8.281 1.00 . A A . 10 LYS N 1 1 4 3829 1 1 10 LYS NZ N 4.809 -11.702 12.013 1.00 . A A . 10 LYS NZ 1 1 4 3830 1 1 10 LYS O O 7.524 -12.845 6.528 1.00 . A A . 10 LYS O 1 1 4 3831 1 1 11 GLY C C 7.548 -10.210 3.171 1.00 . A A . 11 GLY C 1 1 4 3832 1 1 11 GLY CA C 7.692 -11.367 4.149 1.00 . A A . 11 GLY CA 1 1 4 3833 1 1 11 GLY H H 7.535 -9.846 5.624 1.00 . A A . 11 GLY H 1 1 4 3834 1 1 11 GLY HA2 H 8.659 -11.852 4.012 1.00 . A A . 11 GLY HA2 1 1 4 3835 1 1 11 GLY HA3 H 6.898 -12.093 3.965 1.00 . A A . 11 GLY HA3 1 1 4 3836 1 1 11 GLY N N 7.582 -10.846 5.500 1.00 . A A . 11 GLY N 1 1 4 3837 1 1 11 GLY O O 6.549 -10.130 2.459 1.00 . A A . 11 GLY O 1 1 4 3838 1 1 12 ASN C C 7.595 -7.721 1.533 1.00 . A A . 12 ASN C 1 1 4 3839 1 1 12 ASN CA C 8.809 -8.162 2.356 1.00 . A A . 12 ASN CA 1 1 4 3840 1 1 12 ASN CB C 10.014 -8.431 1.447 1.00 . A A . 12 ASN CB 1 1 4 3841 1 1 12 ASN CG C 11.192 -9.149 2.111 1.00 . A A . 12 ASN CG 1 1 4 3842 1 1 12 ASN H H 9.274 -9.536 3.887 1.00 . A A . 12 ASN H 1 1 4 3843 1 1 12 ASN HA H 9.084 -7.326 3.005 1.00 . A A . 12 ASN HA 1 1 4 3844 1 1 12 ASN HB2 H 9.655 -9.047 0.628 1.00 . A A . 12 ASN HB2 1 1 4 3845 1 1 12 ASN HB3 H 10.366 -7.490 1.025 1.00 . A A . 12 ASN HB3 1 1 4 3846 1 1 12 ASN HD21 H 10.970 -8.219 3.945 1.00 . A A . 12 ASN HD21 1 1 4 3847 1 1 12 ASN HD22 H 12.289 -9.346 3.778 1.00 . A A . 12 ASN HD22 1 1 4 3848 1 1 12 ASN N N 8.546 -9.317 3.221 1.00 . A A . 12 ASN N 1 1 4 3849 1 1 12 ASN ND2 N 11.481 -8.885 3.388 1.00 . A A . 12 ASN ND2 1 1 4 3850 1 1 12 ASN O O 7.332 -8.217 0.436 1.00 . A A . 12 ASN O 1 1 4 3851 1 1 12 ASN OD1 O 11.830 -9.988 1.487 1.00 . A A . 12 ASN OD1 1 1 4 3852 1 1 13 VAL C C 5.986 -5.609 0.160 1.00 . A A . 13 VAL C 1 1 4 3853 1 1 13 VAL CA C 5.637 -6.252 1.489 1.00 . A A . 13 VAL CA 1 1 4 3854 1 1 13 VAL CB C 4.983 -5.231 2.422 1.00 . A A . 13 VAL CB 1 1 4 3855 1 1 13 VAL CG1 C 3.933 -4.376 1.705 1.00 . A A . 13 VAL CG1 1 1 4 3856 1 1 13 VAL CG2 C 4.319 -5.945 3.601 1.00 . A A . 13 VAL CG2 1 1 4 3857 1 1 13 VAL H H 7.249 -6.292 2.887 1.00 . A A . 13 VAL H 1 1 4 3858 1 1 13 VAL HA H 4.944 -7.077 1.327 1.00 . A A . 13 VAL HA 1 1 4 3859 1 1 13 VAL HB H 5.767 -4.574 2.791 1.00 . A A . 13 VAL HB 1 1 4 3860 1 1 13 VAL HG11 H 3.462 -3.742 2.442 1.00 . A A . 13 VAL HG11 1 1 4 3861 1 1 13 VAL HG12 H 4.385 -3.718 0.964 1.00 . A A . 13 VAL HG12 1 1 4 3862 1 1 13 VAL HG13 H 3.181 -5.007 1.231 1.00 . A A . 13 VAL HG13 1 1 4 3863 1 1 13 VAL HG21 H 4.028 -5.213 4.353 1.00 . A A . 13 VAL HG21 1 1 4 3864 1 1 13 VAL HG22 H 3.435 -6.488 3.263 1.00 . A A . 13 VAL HG22 1 1 4 3865 1 1 13 VAL HG23 H 5.020 -6.651 4.037 1.00 . A A . 13 VAL HG23 1 1 4 3866 1 1 13 VAL N N 6.860 -6.759 2.086 1.00 . A A . 13 VAL N 1 1 4 3867 1 1 13 VAL O O 6.590 -4.537 0.147 1.00 . A A . 13 VAL O 1 1 4 3868 1 1 14 THR C C 4.623 -4.870 -2.609 1.00 . A A . 14 THR C 1 1 4 3869 1 1 14 THR CA C 5.813 -5.766 -2.275 1.00 . A A . 14 THR CA 1 1 4 3870 1 1 14 THR CB C 5.960 -6.976 -3.206 1.00 . A A . 14 THR CB 1 1 4 3871 1 1 14 THR CG2 C 6.279 -6.556 -4.643 1.00 . A A . 14 THR CG2 1 1 4 3872 1 1 14 THR H H 5.099 -7.127 -0.819 1.00 . A A . 14 THR H 1 1 4 3873 1 1 14 THR HA H 6.730 -5.181 -2.327 1.00 . A A . 14 THR HA 1 1 4 3874 1 1 14 THR HB H 5.035 -7.556 -3.202 1.00 . A A . 14 THR HB 1 1 4 3875 1 1 14 THR HG1 H 6.940 -7.912 -1.772 1.00 . A A . 14 THR HG1 1 1 4 3876 1 1 14 THR HG21 H 5.453 -5.981 -5.065 1.00 . A A . 14 THR HG21 1 1 4 3877 1 1 14 THR HG22 H 7.189 -5.956 -4.664 1.00 . A A . 14 THR HG22 1 1 4 3878 1 1 14 THR HG23 H 6.428 -7.448 -5.253 1.00 . A A . 14 THR HG23 1 1 4 3879 1 1 14 THR N N 5.615 -6.266 -0.931 1.00 . A A . 14 THR N 1 1 4 3880 1 1 14 THR O O 3.479 -5.288 -2.428 1.00 . A A . 14 THR O 1 1 4 3881 1 1 14 THR OG1 O 7.022 -7.786 -2.727 1.00 . A A . 14 THR OG1 1 1 4 3882 1 1 15 PHE C C 4.232 -2.086 -4.788 1.00 . A A . 15 PHE C 1 1 4 3883 1 1 15 PHE CA C 3.846 -2.695 -3.440 1.00 . A A . 15 PHE CA 1 1 4 3884 1 1 15 PHE CB C 3.565 -1.659 -2.340 1.00 . A A . 15 PHE CB 1 1 4 3885 1 1 15 PHE CD1 C 5.742 -1.031 -1.254 1.00 . A A . 15 PHE CD1 1 1 4 3886 1 1 15 PHE CD2 C 4.544 0.672 -2.522 1.00 . A A . 15 PHE CD2 1 1 4 3887 1 1 15 PHE CE1 C 6.689 -0.073 -0.874 1.00 . A A . 15 PHE CE1 1 1 4 3888 1 1 15 PHE CE2 C 5.485 1.637 -2.123 1.00 . A A . 15 PHE CE2 1 1 4 3889 1 1 15 PHE CG C 4.661 -0.657 -2.067 1.00 . A A . 15 PHE CG 1 1 4 3890 1 1 15 PHE CZ C 6.547 1.261 -1.287 1.00 . A A . 15 PHE CZ 1 1 4 3891 1 1 15 PHE H H 5.847 -3.327 -3.146 1.00 . A A . 15 PHE H 1 1 4 3892 1 1 15 PHE HA H 2.910 -3.238 -3.583 1.00 . A A . 15 PHE HA 1 1 4 3893 1 1 15 PHE HB2 H 2.660 -1.109 -2.590 1.00 . A A . 15 PHE HB2 1 1 4 3894 1 1 15 PHE HB3 H 3.364 -2.190 -1.412 1.00 . A A . 15 PHE HB3 1 1 4 3895 1 1 15 PHE HD1 H 5.816 -2.041 -0.876 1.00 . A A . 15 PHE HD1 1 1 4 3896 1 1 15 PHE HD2 H 3.725 0.962 -3.165 1.00 . A A . 15 PHE HD2 1 1 4 3897 1 1 15 PHE HE1 H 7.446 -0.323 -0.145 1.00 . A A . 15 PHE HE1 1 1 4 3898 1 1 15 PHE HE2 H 5.379 2.668 -2.433 1.00 . A A . 15 PHE HE2 1 1 4 3899 1 1 15 PHE HZ H 7.259 1.987 -0.936 1.00 . A A . 15 PHE HZ 1 1 4 3900 1 1 15 PHE N N 4.882 -3.630 -3.033 1.00 . A A . 15 PHE N 1 1 4 3901 1 1 15 PHE O O 5.237 -1.380 -4.928 1.00 . A A . 15 PHE O 1 1 4 3902 1 1 16 ASP C C 3.337 -0.516 -7.327 1.00 . A A . 16 ASP C 1 1 4 3903 1 1 16 ASP CA C 3.660 -1.997 -7.174 1.00 . A A . 16 ASP CA 1 1 4 3904 1 1 16 ASP CB C 2.868 -2.908 -8.113 1.00 . A A . 16 ASP CB 1 1 4 3905 1 1 16 ASP CG C 3.284 -4.357 -7.912 1.00 . A A . 16 ASP CG 1 1 4 3906 1 1 16 ASP H H 2.807 -3.201 -5.698 1.00 . A A . 16 ASP H 1 1 4 3907 1 1 16 ASP HA H 4.708 -2.148 -7.413 1.00 . A A . 16 ASP HA 1 1 4 3908 1 1 16 ASP HB2 H 1.799 -2.824 -7.919 1.00 . A A . 16 ASP HB2 1 1 4 3909 1 1 16 ASP HB3 H 3.079 -2.630 -9.144 1.00 . A A . 16 ASP HB3 1 1 4 3910 1 1 16 ASP N N 3.439 -2.410 -5.807 1.00 . A A . 16 ASP N 1 1 4 3911 1 1 16 ASP O O 2.249 -0.143 -7.763 1.00 . A A . 16 ASP O 1 1 4 3912 1 1 16 ASP OD1 O 2.938 -4.880 -6.829 1.00 . A A . 16 ASP OD1 1 1 4 3913 1 1 16 ASP OD2 O 3.982 -4.880 -8.806 1.00 . A A . 16 ASP OD2 1 1 4 3914 1 1 17 HIS C C 3.700 2.261 -8.321 1.00 . A A . 17 HIS C 1 1 4 3915 1 1 17 HIS CA C 4.309 1.766 -7.000 1.00 . A A . 17 HIS CA 1 1 4 3916 1 1 17 HIS CB C 5.769 2.236 -6.838 1.00 . A A . 17 HIS CB 1 1 4 3917 1 1 17 HIS CD2 C 5.154 4.580 -5.940 1.00 . A A . 17 HIS CD2 1 1 4 3918 1 1 17 HIS CE1 C 6.845 4.874 -4.580 1.00 . A A . 17 HIS CE1 1 1 4 3919 1 1 17 HIS CG C 5.977 3.486 -6.029 1.00 . A A . 17 HIS CG 1 1 4 3920 1 1 17 HIS H H 5.050 -0.136 -6.405 1.00 . A A . 17 HIS H 1 1 4 3921 1 1 17 HIS HA H 3.708 2.133 -6.166 1.00 . A A . 17 HIS HA 1 1 4 3922 1 1 17 HIS HB2 H 6.336 1.460 -6.323 1.00 . A A . 17 HIS HB2 1 1 4 3923 1 1 17 HIS HB3 H 6.241 2.391 -7.806 1.00 . A A . 17 HIS HB3 1 1 4 3924 1 1 17 HIS HD1 H 7.752 3.015 -4.953 1.00 . A A . 17 HIS HD1 1 1 4 3925 1 1 17 HIS HD2 H 4.221 4.721 -6.459 1.00 . A A . 17 HIS HD2 1 1 4 3926 1 1 17 HIS HE1 H 7.494 5.273 -3.822 1.00 . A A . 17 HIS HE1 1 1 4 3927 1 1 17 HIS N N 4.304 0.312 -6.929 1.00 . A A . 17 HIS N 1 1 4 3928 1 1 17 HIS ND1 N 7.031 3.685 -5.170 1.00 . A A . 17 HIS ND1 1 1 4 3929 1 1 17 HIS NE2 N 5.704 5.450 -4.992 1.00 . A A . 17 HIS NE2 1 1 4 3930 1 1 17 HIS O O 2.654 2.905 -8.337 1.00 . A A . 17 HIS O 1 1 4 3931 1 1 18 LYS C C 2.590 1.894 -11.106 1.00 . A A . 18 LYS C 1 1 4 3932 1 1 18 LYS CA C 3.992 2.387 -10.762 1.00 . A A . 18 LYS CA 1 1 4 3933 1 1 18 LYS CB C 5.034 1.920 -11.790 1.00 . A A . 18 LYS CB 1 1 4 3934 1 1 18 LYS CD C 5.541 1.948 -14.287 1.00 . A A . 18 LYS CD 1 1 4 3935 1 1 18 LYS CE C 4.951 2.230 -15.678 1.00 . A A . 18 LYS CE 1 1 4 3936 1 1 18 LYS CG C 4.477 2.109 -13.203 1.00 . A A . 18 LYS CG 1 1 4 3937 1 1 18 LYS H H 5.209 1.400 -9.341 1.00 . A A . 18 LYS H 1 1 4 3938 1 1 18 LYS HA H 3.981 3.478 -10.769 1.00 . A A . 18 LYS HA 1 1 4 3939 1 1 18 LYS HB2 H 5.940 2.516 -11.667 1.00 . A A . 18 LYS HB2 1 1 4 3940 1 1 18 LYS HB3 H 5.274 0.867 -11.642 1.00 . A A . 18 LYS HB3 1 1 4 3941 1 1 18 LYS HD2 H 6.329 2.679 -14.099 1.00 . A A . 18 LYS HD2 1 1 4 3942 1 1 18 LYS HD3 H 5.981 0.950 -14.231 1.00 . A A . 18 LYS HD3 1 1 4 3943 1 1 18 LYS HE2 H 4.506 3.226 -15.666 1.00 . A A . 18 LYS HE2 1 1 4 3944 1 1 18 LYS HE3 H 5.751 2.223 -16.421 1.00 . A A . 18 LYS HE3 1 1 4 3945 1 1 18 LYS HG2 H 3.704 1.361 -13.355 1.00 . A A . 18 LYS HG2 1 1 4 3946 1 1 18 LYS HG3 H 4.035 3.103 -13.272 1.00 . A A . 18 LYS HG3 1 1 4 3947 1 1 18 LYS HZ1 H 3.362 0.928 -15.277 1.00 . A A . 18 LYS HZ1 1 1 4 3948 1 1 18 LYS HZ2 H 3.161 1.729 -16.595 1.00 . A A . 18 LYS HZ2 1 1 4 3949 1 1 18 LYS HZ3 H 4.262 0.469 -16.580 1.00 . A A . 18 LYS HZ3 1 1 4 3950 1 1 18 LYS N N 4.372 1.947 -9.433 1.00 . A A . 18 LYS N 1 1 4 3951 1 1 18 LYS NZ N 3.907 1.261 -16.072 1.00 . A A . 18 LYS NZ 1 1 4 3952 1 1 18 LYS O O 1.747 2.679 -11.518 1.00 . A A . 18 LYS O 1 1 4 3953 1 1 19 ALA C C -0.068 0.762 -10.551 1.00 . A A . 19 ALA C 1 1 4 3954 1 1 19 ALA CA C 1.053 -0.007 -11.247 1.00 . A A . 19 ALA CA 1 1 4 3955 1 1 19 ALA CB C 1.047 -1.434 -10.727 1.00 . A A . 19 ALA CB 1 1 4 3956 1 1 19 ALA H H 3.122 0.000 -10.706 1.00 . A A . 19 ALA H 1 1 4 3957 1 1 19 ALA HA H 0.879 -0.020 -12.323 1.00 . A A . 19 ALA HA 1 1 4 3958 1 1 19 ALA HB1 H 1.172 -1.377 -9.649 1.00 . A A . 19 ALA HB1 1 1 4 3959 1 1 19 ALA HB2 H 0.089 -1.898 -10.954 1.00 . A A . 19 ALA HB2 1 1 4 3960 1 1 19 ALA HB3 H 1.858 -2.004 -11.178 1.00 . A A . 19 ALA HB3 1 1 4 3961 1 1 19 ALA N N 2.352 0.592 -10.973 1.00 . A A . 19 ALA N 1 1 4 3962 1 1 19 ALA O O -0.996 1.244 -11.199 1.00 . A A . 19 ALA O 1 1 4 3963 1 1 20 HIS C C -1.026 3.030 -9.060 1.00 . A A . 20 HIS C 1 1 4 3964 1 1 20 HIS CA C -0.906 1.653 -8.431 1.00 . A A . 20 HIS CA 1 1 4 3965 1 1 20 HIS CB C -0.425 1.772 -6.978 1.00 . A A . 20 HIS CB 1 1 4 3966 1 1 20 HIS CD2 C -1.789 0.443 -5.260 1.00 . A A . 20 HIS CD2 1 1 4 3967 1 1 20 HIS CE1 C -0.630 -1.409 -5.211 1.00 . A A . 20 HIS CE1 1 1 4 3968 1 1 20 HIS CG C -0.739 0.569 -6.133 1.00 . A A . 20 HIS CG 1 1 4 3969 1 1 20 HIS H H 0.879 0.547 -8.769 1.00 . A A . 20 HIS H 1 1 4 3970 1 1 20 HIS HA H -1.882 1.167 -8.454 1.00 . A A . 20 HIS HA 1 1 4 3971 1 1 20 HIS HB2 H 0.648 1.963 -6.949 1.00 . A A . 20 HIS HB2 1 1 4 3972 1 1 20 HIS HB3 H -0.917 2.624 -6.514 1.00 . A A . 20 HIS HB3 1 1 4 3973 1 1 20 HIS HD1 H 0.809 -0.797 -6.650 1.00 . A A . 20 HIS HD1 1 1 4 3974 1 1 20 HIS HD2 H -2.542 1.184 -5.062 1.00 . A A . 20 HIS HD2 1 1 4 3975 1 1 20 HIS HE1 H -0.298 -2.406 -4.979 1.00 . A A . 20 HIS HE1 1 1 4 3976 1 1 20 HIS N N 0.038 0.887 -9.223 1.00 . A A . 20 HIS N 1 1 4 3977 1 1 20 HIS ND1 N -0.018 -0.599 -6.095 1.00 . A A . 20 HIS ND1 1 1 4 3978 1 1 20 HIS NE2 N -1.716 -0.821 -4.671 1.00 . A A . 20 HIS NE2 1 1 4 3979 1 1 20 HIS O O -2.124 3.511 -9.308 1.00 . A A . 20 HIS O 1 1 4 3980 1 1 21 ALA C C -0.651 5.149 -11.149 1.00 . A A . 21 ALA C 1 1 4 3981 1 1 21 ALA CA C 0.147 5.009 -9.852 1.00 . A A . 21 ALA CA 1 1 4 3982 1 1 21 ALA CB C 1.583 5.500 -10.027 1.00 . A A . 21 ALA CB 1 1 4 3983 1 1 21 ALA H H 0.977 3.099 -9.239 1.00 . A A . 21 ALA H 1 1 4 3984 1 1 21 ALA HA H -0.325 5.650 -9.106 1.00 . A A . 21 ALA HA 1 1 4 3985 1 1 21 ALA HB1 H 2.130 5.393 -9.091 1.00 . A A . 21 ALA HB1 1 1 4 3986 1 1 21 ALA HB2 H 2.099 4.936 -10.798 1.00 . A A . 21 ALA HB2 1 1 4 3987 1 1 21 ALA HB3 H 1.547 6.546 -10.328 1.00 . A A . 21 ALA HB3 1 1 4 3988 1 1 21 ALA N N 0.119 3.645 -9.345 1.00 . A A . 21 ALA N 1 1 4 3989 1 1 21 ALA O O -1.534 5.983 -11.242 1.00 . A A . 21 ALA O 1 1 4 3990 1 1 22 GLU C C -2.429 4.072 -13.475 1.00 . A A . 22 GLU C 1 1 4 3991 1 1 22 GLU CA C -0.961 4.502 -13.485 1.00 . A A . 22 GLU CA 1 1 4 3992 1 1 22 GLU CB C -0.104 3.811 -14.556 1.00 . A A . 22 GLU CB 1 1 4 3993 1 1 22 GLU CD C 1.156 1.715 -15.198 1.00 . A A . 22 GLU CD 1 1 4 3994 1 1 22 GLU CG C -0.043 2.281 -14.452 1.00 . A A . 22 GLU CG 1 1 4 3995 1 1 22 GLU H H 0.265 3.591 -11.973 1.00 . A A . 22 GLU H 1 1 4 3996 1 1 22 GLU HA H -0.946 5.567 -13.728 1.00 . A A . 22 GLU HA 1 1 4 3997 1 1 22 GLU HB2 H -0.484 4.071 -15.545 1.00 . A A . 22 GLU HB2 1 1 4 3998 1 1 22 GLU HB3 H 0.911 4.204 -14.473 1.00 . A A . 22 GLU HB3 1 1 4 3999 1 1 22 GLU HG2 H 0.054 1.988 -13.411 1.00 . A A . 22 GLU HG2 1 1 4 4000 1 1 22 GLU HG3 H -0.954 1.843 -14.858 1.00 . A A . 22 GLU HG3 1 1 4 4001 1 1 22 GLU N N -0.367 4.346 -12.164 1.00 . A A . 22 GLU N 1 1 4 4002 1 1 22 GLU O O -3.255 4.683 -14.149 1.00 . A A . 22 GLU O 1 1 4 4003 1 1 22 GLU OE1 O 1.543 2.264 -16.255 1.00 . A A . 22 GLU OE1 1 1 4 4004 1 1 22 GLU OE2 O 1.782 0.761 -14.688 1.00 . A A . 22 GLU OE2 1 1 4 4005 1 1 23 LYS C C -4.986 3.581 -11.805 1.00 . A A . 23 LYS C 1 1 4 4006 1 1 23 LYS CA C -4.131 2.565 -12.574 1.00 . A A . 23 LYS CA 1 1 4 4007 1 1 23 LYS CB C -4.132 1.172 -11.927 1.00 . A A . 23 LYS CB 1 1 4 4008 1 1 23 LYS CD C -4.060 -0.297 -14.034 1.00 . A A . 23 LYS CD 1 1 4 4009 1 1 23 LYS CE C -4.738 -1.660 -13.853 1.00 . A A . 23 LYS CE 1 1 4 4010 1 1 23 LYS CG C -3.335 0.147 -12.758 1.00 . A A . 23 LYS CG 1 1 4 4011 1 1 23 LYS H H -2.037 2.529 -12.202 1.00 . A A . 23 LYS H 1 1 4 4012 1 1 23 LYS HA H -4.559 2.492 -13.573 1.00 . A A . 23 LYS HA 1 1 4 4013 1 1 23 LYS HB2 H -3.668 1.246 -10.944 1.00 . A A . 23 LYS HB2 1 1 4 4014 1 1 23 LYS HB3 H -5.159 0.837 -11.792 1.00 . A A . 23 LYS HB3 1 1 4 4015 1 1 23 LYS HD2 H -4.783 0.459 -14.336 1.00 . A A . 23 LYS HD2 1 1 4 4016 1 1 23 LYS HD3 H -3.315 -0.379 -14.828 1.00 . A A . 23 LYS HD3 1 1 4 4017 1 1 23 LYS HE2 H -5.276 -1.930 -14.763 1.00 . A A . 23 LYS HE2 1 1 4 4018 1 1 23 LYS HE3 H -3.969 -2.414 -13.672 1.00 . A A . 23 LYS HE3 1 1 4 4019 1 1 23 LYS HG2 H -2.383 0.579 -13.065 1.00 . A A . 23 LYS HG2 1 1 4 4020 1 1 23 LYS HG3 H -3.091 -0.712 -12.127 1.00 . A A . 23 LYS HG3 1 1 4 4021 1 1 23 LYS HZ1 H -5.188 -1.367 -11.852 1.00 . A A . 23 LYS HZ1 1 1 4 4022 1 1 23 LYS HZ2 H -6.485 -1.100 -12.841 1.00 . A A . 23 LYS HZ2 1 1 4 4023 1 1 23 LYS HZ3 H -5.930 -2.612 -12.424 1.00 . A A . 23 LYS HZ3 1 1 4 4024 1 1 23 LYS N N -2.763 3.034 -12.704 1.00 . A A . 23 LYS N 1 1 4 4025 1 1 23 LYS NZ N -5.665 -1.663 -12.708 1.00 . A A . 23 LYS NZ 1 1 4 4026 1 1 23 LYS O O -6.058 3.956 -12.274 1.00 . A A . 23 LYS O 1 1 4 4027 1 1 24 LEU C C -5.064 6.396 -10.335 1.00 . A A . 24 LEU C 1 1 4 4028 1 1 24 LEU CA C -5.235 4.975 -9.791 1.00 . A A . 24 LEU CA 1 1 4 4029 1 1 24 LEU CB C -4.675 4.906 -8.367 1.00 . A A . 24 LEU CB 1 1 4 4030 1 1 24 LEU CD1 C -5.182 2.294 -8.302 1.00 . A A . 24 LEU CD1 1 1 4 4031 1 1 24 LEU CD2 C -4.015 3.420 -6.449 1.00 . A A . 24 LEU CD2 1 1 4 4032 1 1 24 LEU CG C -5.025 3.633 -7.579 1.00 . A A . 24 LEU CG 1 1 4 4033 1 1 24 LEU H H -3.699 3.607 -10.221 1.00 . A A . 24 LEU H 1 1 4 4034 1 1 24 LEU HA H -6.300 4.740 -9.760 1.00 . A A . 24 LEU HA 1 1 4 4035 1 1 24 LEU HB2 H -3.601 5.073 -8.373 1.00 . A A . 24 LEU HB2 1 1 4 4036 1 1 24 LEU HB3 H -5.108 5.743 -7.821 1.00 . A A . 24 LEU HB3 1 1 4 4037 1 1 24 LEU HD11 H -5.502 1.564 -7.556 1.00 . A A . 24 LEU HD11 1 1 4 4038 1 1 24 LEU HD12 H -5.951 2.355 -9.071 1.00 . A A . 24 LEU HD12 1 1 4 4039 1 1 24 LEU HD13 H -4.237 1.970 -8.735 1.00 . A A . 24 LEU HD13 1 1 4 4040 1 1 24 LEU HD21 H -4.331 2.602 -5.805 1.00 . A A . 24 LEU HD21 1 1 4 4041 1 1 24 LEU HD22 H -3.046 3.175 -6.872 1.00 . A A . 24 LEU HD22 1 1 4 4042 1 1 24 LEU HD23 H -3.916 4.320 -5.852 1.00 . A A . 24 LEU HD23 1 1 4 4043 1 1 24 LEU HG H -6.004 3.843 -7.186 1.00 . A A . 24 LEU HG 1 1 4 4044 1 1 24 LEU N N -4.538 4.008 -10.622 1.00 . A A . 24 LEU N 1 1 4 4045 1 1 24 LEU O O -6.046 7.049 -10.677 1.00 . A A . 24 LEU O 1 1 4 4046 1 1 25 GLY C C -2.171 8.645 -10.052 1.00 . A A . 25 GLY C 1 1 4 4047 1 1 25 GLY CA C -3.478 8.249 -10.734 1.00 . A A . 25 GLY CA 1 1 4 4048 1 1 25 GLY H H -3.021 6.267 -10.236 1.00 . A A . 25 GLY H 1 1 4 4049 1 1 25 GLY HA2 H -3.322 8.282 -11.810 1.00 . A A . 25 GLY HA2 1 1 4 4050 1 1 25 GLY HA3 H -4.267 8.947 -10.455 1.00 . A A . 25 GLY HA3 1 1 4 4051 1 1 25 GLY N N -3.822 6.887 -10.366 1.00 . A A . 25 GLY N 1 1 4 4052 1 1 25 GLY O O -1.115 8.616 -10.682 1.00 . A A . 25 GLY O 1 1 4 4053 1 1 26 CYS C C -1.696 9.938 -6.590 1.00 . A A . 26 CYS C 1 1 4 4054 1 1 26 CYS CA C -1.122 9.404 -7.903 1.00 . A A . 26 CYS CA 1 1 4 4055 1 1 26 CYS CB C -0.243 10.483 -8.524 1.00 . A A . 26 CYS CB 1 1 4 4056 1 1 26 CYS H H -3.191 8.992 -8.360 1.00 . A A . 26 CYS H 1 1 4 4057 1 1 26 CYS HA H -0.537 8.512 -7.691 1.00 . A A . 26 CYS HA 1 1 4 4058 1 1 26 CYS HB2 H -0.146 10.414 -9.601 1.00 . A A . 26 CYS HB2 1 1 4 4059 1 1 26 CYS HB3 H -0.659 11.469 -8.316 1.00 . A A . 26 CYS HB3 1 1 4 4060 1 1 26 CYS N N -2.247 9.007 -8.768 1.00 . A A . 26 CYS N 1 1 4 4061 1 1 26 CYS O O -1.318 9.516 -5.493 1.00 . A A . 26 CYS O 1 1 4 4062 1 1 26 CYS SG S 1.433 10.426 -7.836 1.00 . A A . 26 CYS SG 1 1 4 4063 1 1 27 ASP C C -3.941 10.419 -4.725 1.00 . A A . 27 ASP C 1 1 4 4064 1 1 27 ASP CA C -3.643 11.385 -5.859 1.00 . A A . 27 ASP CA 1 1 4 4065 1 1 27 ASP CB C -4.923 11.686 -6.667 1.00 . A A . 27 ASP CB 1 1 4 4066 1 1 27 ASP CG C -5.514 10.481 -7.415 1.00 . A A . 27 ASP CG 1 1 4 4067 1 1 27 ASP H H -3.017 10.823 -7.726 1.00 . A A . 27 ASP H 1 1 4 4068 1 1 27 ASP HA H -3.255 12.315 -5.443 1.00 . A A . 27 ASP HA 1 1 4 4069 1 1 27 ASP HB2 H -5.676 12.067 -5.975 1.00 . A A . 27 ASP HB2 1 1 4 4070 1 1 27 ASP HB3 H -4.709 12.464 -7.398 1.00 . A A . 27 ASP HB3 1 1 4 4071 1 1 27 ASP N N -2.668 10.833 -6.781 1.00 . A A . 27 ASP N 1 1 4 4072 1 1 27 ASP O O -3.891 10.786 -3.554 1.00 . A A . 27 ASP O 1 1 4 4073 1 1 27 ASP OD1 O -4.727 9.564 -7.762 1.00 . A A . 27 ASP OD1 1 1 4 4074 1 1 27 ASP OD2 O -6.745 10.494 -7.614 1.00 . A A . 27 ASP OD2 1 1 4 4075 1 1 28 ALA C C -3.600 8.073 -2.972 1.00 . A A . 28 ALA C 1 1 4 4076 1 1 28 ALA CA C -4.436 8.034 -4.250 1.00 . A A . 28 ALA CA 1 1 4 4077 1 1 28 ALA CB C -4.087 6.783 -5.044 1.00 . A A . 28 ALA CB 1 1 4 4078 1 1 28 ALA H H -4.292 9.037 -6.121 1.00 . A A . 28 ALA H 1 1 4 4079 1 1 28 ALA HA H -5.492 8.023 -3.998 1.00 . A A . 28 ALA HA 1 1 4 4080 1 1 28 ALA HB1 H -3.148 6.926 -5.582 1.00 . A A . 28 ALA HB1 1 1 4 4081 1 1 28 ALA HB2 H -3.973 5.948 -4.356 1.00 . A A . 28 ALA HB2 1 1 4 4082 1 1 28 ALA HB3 H -4.886 6.581 -5.755 1.00 . A A . 28 ALA HB3 1 1 4 4083 1 1 28 ALA N N -4.225 9.175 -5.111 1.00 . A A . 28 ALA N 1 1 4 4084 1 1 28 ALA O O -4.124 7.846 -1.883 1.00 . A A . 28 ALA O 1 1 4 4085 1 1 29 CYS C C -0.589 9.573 -1.871 1.00 . A A . 29 CYS C 1 1 4 4086 1 1 29 CYS CA C -1.326 8.241 -2.042 1.00 . A A . 29 CYS CA 1 1 4 4087 1 1 29 CYS CB C -0.356 7.119 -2.296 1.00 . A A . 29 CYS CB 1 1 4 4088 1 1 29 CYS H H -1.965 8.493 -4.071 1.00 . A A . 29 CYS H 1 1 4 4089 1 1 29 CYS HA H -1.830 8.032 -1.097 1.00 . A A . 29 CYS HA 1 1 4 4090 1 1 29 CYS HB2 H 0.257 7.386 -3.155 1.00 . A A . 29 CYS HB2 1 1 4 4091 1 1 29 CYS HB3 H 0.283 7.000 -1.423 1.00 . A A . 29 CYS HB3 1 1 4 4092 1 1 29 CYS N N -2.294 8.299 -3.130 1.00 . A A . 29 CYS N 1 1 4 4093 1 1 29 CYS O O -0.171 9.900 -0.762 1.00 . A A . 29 CYS O 1 1 4 4094 1 1 29 CYS SG S -1.214 5.538 -2.607 1.00 . A A . 29 CYS SG 1 1 4 4095 1 1 30 HIS C C -0.501 12.664 -3.609 1.00 . A A . 30 HIS C 1 1 4 4096 1 1 30 HIS CA C 0.349 11.579 -2.958 1.00 . A A . 30 HIS CA 1 1 4 4097 1 1 30 HIS CB C 1.644 11.405 -3.751 1.00 . A A . 30 HIS CB 1 1 4 4098 1 1 30 HIS CD2 C 2.810 9.170 -3.968 1.00 . A A . 30 HIS CD2 1 1 4 4099 1 1 30 HIS CE1 C 4.274 9.308 -2.361 1.00 . A A . 30 HIS CE1 1 1 4 4100 1 1 30 HIS CG C 2.529 10.295 -3.260 1.00 . A A . 30 HIS CG 1 1 4 4101 1 1 30 HIS H H -0.784 10.048 -3.847 1.00 . A A . 30 HIS H 1 1 4 4102 1 1 30 HIS HA H 0.612 11.885 -1.944 1.00 . A A . 30 HIS HA 1 1 4 4103 1 1 30 HIS HB2 H 1.381 11.201 -4.791 1.00 . A A . 30 HIS HB2 1 1 4 4104 1 1 30 HIS HB3 H 2.188 12.350 -3.740 1.00 . A A . 30 HIS HB3 1 1 4 4105 1 1 30 HIS HD1 H 3.507 11.151 -1.604 1.00 . A A . 30 HIS HD1 1 1 4 4106 1 1 30 HIS HD2 H 2.324 8.867 -4.872 1.00 . A A . 30 HIS HD2 1 1 4 4107 1 1 30 HIS HE1 H 5.151 9.096 -1.771 1.00 . A A . 30 HIS HE1 1 1 4 4108 1 1 30 HIS N N -0.395 10.333 -2.956 1.00 . A A . 30 HIS N 1 1 4 4109 1 1 30 HIS ND1 N 3.446 10.374 -2.242 1.00 . A A . 30 HIS ND1 1 1 4 4110 1 1 30 HIS NE2 N 3.930 8.559 -3.418 1.00 . A A . 30 HIS NE2 1 1 4 4111 1 1 30 HIS O O -0.613 12.711 -4.830 1.00 . A A . 30 HIS O 1 1 4 4112 1 1 31 GLU C C -0.945 15.673 -3.980 1.00 . A A . 31 GLU C 1 1 4 4113 1 1 31 GLU CA C -1.863 14.669 -3.294 1.00 . A A . 31 GLU CA 1 1 4 4114 1 1 31 GLU CB C -2.617 15.357 -2.145 1.00 . A A . 31 GLU CB 1 1 4 4115 1 1 31 GLU CD C -4.302 14.983 -0.326 1.00 . A A . 31 GLU CD 1 1 4 4116 1 1 31 GLU CG C -3.231 14.336 -1.193 1.00 . A A . 31 GLU CG 1 1 4 4117 1 1 31 GLU H H -0.916 13.444 -1.801 1.00 . A A . 31 GLU H 1 1 4 4118 1 1 31 GLU HA H -2.591 14.290 -4.013 1.00 . A A . 31 GLU HA 1 1 4 4119 1 1 31 GLU HB2 H -1.984 16.019 -1.556 1.00 . A A . 31 GLU HB2 1 1 4 4120 1 1 31 GLU HB3 H -3.417 15.958 -2.584 1.00 . A A . 31 GLU HB3 1 1 4 4121 1 1 31 GLU HG2 H -3.660 13.550 -1.804 1.00 . A A . 31 GLU HG2 1 1 4 4122 1 1 31 GLU HG3 H -2.472 13.904 -0.541 1.00 . A A . 31 GLU HG3 1 1 4 4123 1 1 31 GLU N N -1.063 13.556 -2.794 1.00 . A A . 31 GLU N 1 1 4 4124 1 1 31 GLU O O -1.102 16.014 -5.150 1.00 . A A . 31 GLU O 1 1 4 4125 1 1 31 GLU OE1 O -5.381 15.279 -0.882 1.00 . A A . 31 GLU OE1 1 1 4 4126 1 1 31 GLU OE2 O -4.004 15.206 0.867 1.00 . A A . 31 GLU OE2 1 1 4 4127 1 1 32 GLY C C 2.392 16.399 -3.606 1.00 . A A . 32 GLY C 1 1 4 4128 1 1 32 GLY CA C 1.034 17.091 -3.580 1.00 . A A . 32 GLY CA 1 1 4 4129 1 1 32 GLY H H 0.023 15.770 -2.250 1.00 . A A . 32 GLY H 1 1 4 4130 1 1 32 GLY HA2 H 0.832 17.513 -4.566 1.00 . A A . 32 GLY HA2 1 1 4 4131 1 1 32 GLY HA3 H 1.043 17.903 -2.852 1.00 . A A . 32 GLY HA3 1 1 4 4132 1 1 32 GLY N N 0.008 16.150 -3.184 1.00 . A A . 32 GLY N 1 1 4 4133 1 1 32 GLY O O 2.498 15.215 -3.921 1.00 . A A . 32 GLY O 1 1 4 4134 1 1 33 THR C C 5.103 15.422 -2.688 1.00 . A A . 33 THR C 1 1 4 4135 1 1 33 THR CA C 4.829 16.775 -3.366 1.00 . A A . 33 THR CA 1 1 4 4136 1 1 33 THR CB C 5.660 17.901 -2.737 1.00 . A A . 33 THR CB 1 1 4 4137 1 1 33 THR CG2 C 7.136 17.811 -3.134 1.00 . A A . 33 THR CG2 1 1 4 4138 1 1 33 THR H H 3.259 18.111 -2.973 1.00 . A A . 33 THR H 1 1 4 4139 1 1 33 THR HA H 5.065 16.747 -4.428 1.00 . A A . 33 THR HA 1 1 4 4140 1 1 33 THR HB H 5.579 17.853 -1.649 1.00 . A A . 33 THR HB 1 1 4 4141 1 1 33 THR HG1 H 5.259 19.233 -4.107 1.00 . A A . 33 THR HG1 1 1 4 4142 1 1 33 THR HG21 H 7.244 17.859 -4.218 1.00 . A A . 33 THR HG21 1 1 4 4143 1 1 33 THR HG22 H 7.682 18.642 -2.685 1.00 . A A . 33 THR HG22 1 1 4 4144 1 1 33 THR HG23 H 7.565 16.876 -2.772 1.00 . A A . 33 THR HG23 1 1 4 4145 1 1 33 THR N N 3.432 17.160 -3.266 1.00 . A A . 33 THR N 1 1 4 4146 1 1 33 THR O O 5.024 15.334 -1.463 1.00 . A A . 33 THR O 1 1 4 4147 1 1 33 THR OG1 O 5.132 19.146 -3.159 1.00 . A A . 33 THR OG1 1 1 4 4148 1 1 34 PRO C C 7.114 13.050 -2.270 1.00 . A A . 34 PRO C 1 1 4 4149 1 1 34 PRO CA C 5.713 13.060 -2.878 1.00 . A A . 34 PRO CA 1 1 4 4150 1 1 34 PRO CB C 5.589 12.087 -4.039 1.00 . A A . 34 PRO CB 1 1 4 4151 1 1 34 PRO CD C 5.543 14.325 -4.894 1.00 . A A . 34 PRO CD 1 1 4 4152 1 1 34 PRO CG C 6.031 12.916 -5.233 1.00 . A A . 34 PRO CG 1 1 4 4153 1 1 34 PRO HA H 4.971 12.776 -2.137 1.00 . A A . 34 PRO HA 1 1 4 4154 1 1 34 PRO HB2 H 6.186 11.196 -3.874 1.00 . A A . 34 PRO HB2 1 1 4 4155 1 1 34 PRO HB3 H 4.547 11.818 -4.193 1.00 . A A . 34 PRO HB3 1 1 4 4156 1 1 34 PRO HD2 H 6.258 15.055 -5.276 1.00 . A A . 34 PRO HD2 1 1 4 4157 1 1 34 PRO HD3 H 4.560 14.487 -5.340 1.00 . A A . 34 PRO HD3 1 1 4 4158 1 1 34 PRO HG2 H 7.116 12.899 -5.308 1.00 . A A . 34 PRO HG2 1 1 4 4159 1 1 34 PRO HG3 H 5.575 12.536 -6.138 1.00 . A A . 34 PRO HG3 1 1 4 4160 1 1 34 PRO N N 5.437 14.366 -3.444 1.00 . A A . 34 PRO N 1 1 4 4161 1 1 34 PRO O O 8.107 13.060 -2.993 1.00 . A A . 34 PRO O 1 1 4 4162 1 1 35 ALA C C 8.441 11.925 0.841 1.00 . A A . 35 ALA C 1 1 4 4163 1 1 35 ALA CA C 8.463 13.034 -0.213 1.00 . A A . 35 ALA CA 1 1 4 4164 1 1 35 ALA CB C 8.669 14.432 0.367 1.00 . A A . 35 ALA CB 1 1 4 4165 1 1 35 ALA H H 6.350 13.067 -0.394 1.00 . A A . 35 ALA H 1 1 4 4166 1 1 35 ALA HA H 9.301 12.822 -0.878 1.00 . A A . 35 ALA HA 1 1 4 4167 1 1 35 ALA HB1 H 8.657 15.149 -0.457 1.00 . A A . 35 ALA HB1 1 1 4 4168 1 1 35 ALA HB2 H 7.861 14.669 1.060 1.00 . A A . 35 ALA HB2 1 1 4 4169 1 1 35 ALA HB3 H 9.628 14.486 0.883 1.00 . A A . 35 ALA HB3 1 1 4 4170 1 1 35 ALA N N 7.200 13.028 -0.939 1.00 . A A . 35 ALA N 1 1 4 4171 1 1 35 ALA O O 8.745 12.156 2.008 1.00 . A A . 35 ALA O 1 1 4 4172 1 1 36 LYS C C 6.668 9.632 2.145 1.00 . A A . 36 LYS C 1 1 4 4173 1 1 36 LYS CA C 7.761 9.501 1.079 1.00 . A A . 36 LYS CA 1 1 4 4174 1 1 36 LYS CB C 9.020 8.767 1.537 1.00 . A A . 36 LYS CB 1 1 4 4175 1 1 36 LYS CD C 10.640 8.402 3.361 1.00 . A A . 36 LYS CD 1 1 4 4176 1 1 36 LYS CE C 9.707 7.769 4.406 1.00 . A A . 36 LYS CE 1 1 4 4177 1 1 36 LYS CG C 9.856 9.477 2.601 1.00 . A A . 36 LYS CG 1 1 4 4178 1 1 36 LYS H H 7.947 10.682 -0.624 1.00 . A A . 36 LYS H 1 1 4 4179 1 1 36 LYS HA H 7.324 8.866 0.310 1.00 . A A . 36 LYS HA 1 1 4 4180 1 1 36 LYS HB2 H 8.717 7.795 1.909 1.00 . A A . 36 LYS HB2 1 1 4 4181 1 1 36 LYS HB3 H 9.660 8.595 0.676 1.00 . A A . 36 LYS HB3 1 1 4 4182 1 1 36 LYS HD2 H 11.005 7.662 2.642 1.00 . A A . 36 LYS HD2 1 1 4 4183 1 1 36 LYS HD3 H 11.499 8.856 3.859 1.00 . A A . 36 LYS HD3 1 1 4 4184 1 1 36 LYS HE2 H 9.730 8.395 5.293 1.00 . A A . 36 LYS HE2 1 1 4 4185 1 1 36 LYS HE3 H 8.675 7.775 4.061 1.00 . A A . 36 LYS HE3 1 1 4 4186 1 1 36 LYS HG2 H 10.533 10.166 2.095 1.00 . A A . 36 LYS HG2 1 1 4 4187 1 1 36 LYS HG3 H 9.227 10.044 3.289 1.00 . A A . 36 LYS HG3 1 1 4 4188 1 1 36 LYS HZ1 H 9.933 5.783 3.873 1.00 . A A . 36 LYS HZ1 1 1 4 4189 1 1 36 LYS HZ2 H 10.991 6.249 5.047 1.00 . A A . 36 LYS HZ2 1 1 4 4190 1 1 36 LYS HZ3 H 9.383 5.979 5.358 1.00 . A A . 36 LYS HZ3 1 1 4 4191 1 1 36 LYS N N 8.072 10.730 0.368 1.00 . A A . 36 LYS N 1 1 4 4192 1 1 36 LYS NZ N 10.050 6.363 4.706 1.00 . A A . 36 LYS NZ 1 1 4 4193 1 1 36 LYS O O 6.453 10.694 2.721 1.00 . A A . 36 LYS O 1 1 4 4194 1 1 37 ILE C C 5.069 8.018 4.605 1.00 . A A . 37 ILE C 1 1 4 4195 1 1 37 ILE CA C 4.739 8.537 3.214 1.00 . A A . 37 ILE CA 1 1 4 4196 1 1 37 ILE CB C 3.599 7.707 2.591 1.00 . A A . 37 ILE CB 1 1 4 4197 1 1 37 ILE CD1 C 2.302 7.434 0.376 1.00 . A A . 37 ILE CD1 1 1 4 4198 1 1 37 ILE CG1 C 3.570 7.928 1.075 1.00 . A A . 37 ILE CG1 1 1 4 4199 1 1 37 ILE CG2 C 2.257 8.066 3.251 1.00 . A A . 37 ILE CG2 1 1 4 4200 1 1 37 ILE H H 6.176 7.698 1.851 1.00 . A A . 37 ILE H 1 1 4 4201 1 1 37 ILE HA H 4.382 9.554 3.330 1.00 . A A . 37 ILE HA 1 1 4 4202 1 1 37 ILE HB H 3.791 6.651 2.770 1.00 . A A . 37 ILE HB 1 1 4 4203 1 1 37 ILE HD11 H 2.088 6.401 0.644 1.00 . A A . 37 ILE HD11 1 1 4 4204 1 1 37 ILE HD12 H 1.453 8.061 0.649 1.00 . A A . 37 ILE HD12 1 1 4 4205 1 1 37 ILE HD13 H 2.450 7.508 -0.701 1.00 . A A . 37 ILE HD13 1 1 4 4206 1 1 37 ILE HG12 H 3.665 8.988 0.871 1.00 . A A . 37 ILE HG12 1 1 4 4207 1 1 37 ILE HG13 H 4.434 7.410 0.665 1.00 . A A . 37 ILE HG13 1 1 4 4208 1 1 37 ILE HG21 H 1.989 9.097 3.020 1.00 . A A . 37 ILE HG21 1 1 4 4209 1 1 37 ILE HG22 H 1.470 7.402 2.894 1.00 . A A . 37 ILE HG22 1 1 4 4210 1 1 37 ILE HG23 H 2.320 7.948 4.332 1.00 . A A . 37 ILE HG23 1 1 4 4211 1 1 37 ILE N N 5.930 8.539 2.360 1.00 . A A . 37 ILE N 1 1 4 4212 1 1 37 ILE O O 4.550 8.512 5.601 1.00 . A A . 37 ILE O 1 1 4 4213 1 1 38 ALA C C 4.941 5.278 6.034 1.00 . A A . 38 ALA C 1 1 4 4214 1 1 38 ALA CA C 6.169 6.122 5.770 1.00 . A A . 38 ALA CA 1 1 4 4215 1 1 38 ALA CB C 6.667 6.886 6.990 1.00 . A A . 38 ALA CB 1 1 4 4216 1 1 38 ALA H H 6.303 6.678 3.747 1.00 . A A . 38 ALA H 1 1 4 4217 1 1 38 ALA HA H 6.955 5.418 5.488 1.00 . A A . 38 ALA HA 1 1 4 4218 1 1 38 ALA HB1 H 6.983 6.163 7.743 1.00 . A A . 38 ALA HB1 1 1 4 4219 1 1 38 ALA HB2 H 7.505 7.504 6.675 1.00 . A A . 38 ALA HB2 1 1 4 4220 1 1 38 ALA HB3 H 5.877 7.505 7.410 1.00 . A A . 38 ALA HB3 1 1 4 4221 1 1 38 ALA N N 5.911 6.990 4.636 1.00 . A A . 38 ALA N 1 1 4 4222 1 1 38 ALA O O 4.252 5.413 7.040 1.00 . A A . 38 ALA O 1 1 4 4223 1 1 39 ILE C C 4.652 2.301 6.258 1.00 . A A . 39 ILE C 1 1 4 4224 1 1 39 ILE CA C 3.847 3.236 5.359 1.00 . A A . 39 ILE CA 1 1 4 4225 1 1 39 ILE CB C 3.427 2.590 4.038 1.00 . A A . 39 ILE CB 1 1 4 4226 1 1 39 ILE CD1 C 1.231 3.999 3.742 1.00 . A A . 39 ILE CD1 1 1 4 4227 1 1 39 ILE CG1 C 2.601 3.582 3.196 1.00 . A A . 39 ILE CG1 1 1 4 4228 1 1 39 ILE CG2 C 2.702 1.261 4.277 1.00 . A A . 39 ILE CG2 1 1 4 4229 1 1 39 ILE H H 5.347 4.303 4.322 1.00 . A A . 39 ILE H 1 1 4 4230 1 1 39 ILE HA H 2.951 3.565 5.881 1.00 . A A . 39 ILE HA 1 1 4 4231 1 1 39 ILE HB H 4.337 2.369 3.481 1.00 . A A . 39 ILE HB 1 1 4 4232 1 1 39 ILE HD11 H 0.737 4.630 3.004 1.00 . A A . 39 ILE HD11 1 1 4 4233 1 1 39 ILE HD12 H 0.599 3.133 3.930 1.00 . A A . 39 ILE HD12 1 1 4 4234 1 1 39 ILE HD13 H 1.349 4.580 4.656 1.00 . A A . 39 ILE HD13 1 1 4 4235 1 1 39 ILE HG12 H 3.170 4.497 3.070 1.00 . A A . 39 ILE HG12 1 1 4 4236 1 1 39 ILE HG13 H 2.459 3.152 2.213 1.00 . A A . 39 ILE HG13 1 1 4 4237 1 1 39 ILE HG21 H 3.316 0.584 4.868 1.00 . A A . 39 ILE HG21 1 1 4 4238 1 1 39 ILE HG22 H 1.757 1.427 4.790 1.00 . A A . 39 ILE HG22 1 1 4 4239 1 1 39 ILE HG23 H 2.518 0.769 3.330 1.00 . A A . 39 ILE HG23 1 1 4 4240 1 1 39 ILE N N 4.702 4.367 5.097 1.00 . A A . 39 ILE N 1 1 4 4241 1 1 39 ILE O O 5.714 1.819 5.871 1.00 . A A . 39 ILE O 1 1 4 4242 1 1 40 ASP C C 3.288 0.522 9.013 1.00 . A A . 40 ASP C 1 1 4 4243 1 1 40 ASP CA C 4.550 1.135 8.462 1.00 . A A . 40 ASP CA 1 1 4 4244 1 1 40 ASP CB C 5.266 1.796 9.644 1.00 . A A . 40 ASP CB 1 1 4 4245 1 1 40 ASP CG C 4.338 2.653 10.512 1.00 . A A . 40 ASP CG 1 1 4 4246 1 1 40 ASP H H 3.186 2.441 7.586 1.00 . A A . 40 ASP H 1 1 4 4247 1 1 40 ASP HA H 5.187 0.380 8.005 1.00 . A A . 40 ASP HA 1 1 4 4248 1 1 40 ASP HB2 H 5.680 1.011 10.276 1.00 . A A . 40 ASP HB2 1 1 4 4249 1 1 40 ASP HB3 H 6.104 2.352 9.263 1.00 . A A . 40 ASP HB3 1 1 4 4250 1 1 40 ASP N N 4.118 2.082 7.452 1.00 . A A . 40 ASP N 1 1 4 4251 1 1 40 ASP O O 2.204 1.023 8.738 1.00 . A A . 40 ASP O 1 1 4 4252 1 1 40 ASP OD1 O 4.097 3.823 10.155 1.00 . A A . 40 ASP OD1 1 1 4 4253 1 1 40 ASP OD2 O 3.827 2.102 11.513 1.00 . A A . 40 ASP OD2 1 1 4 4254 1 1 41 LYS C C 1.241 -0.246 10.975 1.00 . A A . 41 LYS C 1 1 4 4255 1 1 41 LYS CA C 2.400 -1.175 10.579 1.00 . A A . 41 LYS CA 1 1 4 4256 1 1 41 LYS CB C 3.053 -1.900 11.765 1.00 . A A . 41 LYS CB 1 1 4 4257 1 1 41 LYS CD C 5.410 -1.672 12.751 1.00 . A A . 41 LYS CD 1 1 4 4258 1 1 41 LYS CE C 5.419 -2.890 13.680 1.00 . A A . 41 LYS CE 1 1 4 4259 1 1 41 LYS CG C 4.010 -1.054 12.629 1.00 . A A . 41 LYS CG 1 1 4 4260 1 1 41 LYS H H 4.404 -0.853 9.916 1.00 . A A . 41 LYS H 1 1 4 4261 1 1 41 LYS HA H 1.984 -1.940 9.921 1.00 . A A . 41 LYS HA 1 1 4 4262 1 1 41 LYS HB2 H 2.276 -2.331 12.386 1.00 . A A . 41 LYS HB2 1 1 4 4263 1 1 41 LYS HB3 H 3.620 -2.717 11.333 1.00 . A A . 41 LYS HB3 1 1 4 4264 1 1 41 LYS HD2 H 5.766 -1.942 11.753 1.00 . A A . 41 LYS HD2 1 1 4 4265 1 1 41 LYS HD3 H 6.083 -0.908 13.148 1.00 . A A . 41 LYS HD3 1 1 4 4266 1 1 41 LYS HE2 H 5.184 -2.565 14.695 1.00 . A A . 41 LYS HE2 1 1 4 4267 1 1 41 LYS HE3 H 4.652 -3.595 13.359 1.00 . A A . 41 LYS HE3 1 1 4 4268 1 1 41 LYS HG2 H 4.178 -0.088 12.167 1.00 . A A . 41 LYS HG2 1 1 4 4269 1 1 41 LYS HG3 H 3.576 -0.876 13.612 1.00 . A A . 41 LYS HG3 1 1 4 4270 1 1 41 LYS HZ1 H 7.485 -2.926 13.899 1.00 . A A . 41 LYS HZ1 1 1 4 4271 1 1 41 LYS HZ2 H 6.753 -4.340 14.315 1.00 . A A . 41 LYS HZ2 1 1 4 4272 1 1 41 LYS HZ3 H 6.950 -3.980 12.766 1.00 . A A . 41 LYS HZ3 1 1 4 4273 1 1 41 LYS N N 3.447 -0.495 9.843 1.00 . A A . 41 LYS N 1 1 4 4274 1 1 41 LYS NZ N 6.736 -3.561 13.675 1.00 . A A . 41 LYS NZ 1 1 4 4275 1 1 41 LYS O O 0.106 -0.435 10.534 1.00 . A A . 41 LYS O 1 1 4 4276 1 1 42 LYS C C -0.133 2.528 11.145 1.00 . A A . 42 LYS C 1 1 4 4277 1 1 42 LYS CA C 0.501 1.703 12.267 1.00 . A A . 42 LYS CA 1 1 4 4278 1 1 42 LYS CB C 1.098 2.636 13.326 1.00 . A A . 42 LYS CB 1 1 4 4279 1 1 42 LYS CD C 1.643 2.528 15.823 1.00 . A A . 42 LYS CD 1 1 4 4280 1 1 42 LYS CE C 0.187 2.538 16.322 1.00 . A A . 42 LYS CE 1 1 4 4281 1 1 42 LYS CG C 1.764 1.839 14.456 1.00 . A A . 42 LYS CG 1 1 4 4282 1 1 42 LYS H H 2.504 1.045 11.877 1.00 . A A . 42 LYS H 1 1 4 4283 1 1 42 LYS HA H -0.293 1.120 12.735 1.00 . A A . 42 LYS HA 1 1 4 4284 1 1 42 LYS HB2 H 1.839 3.293 12.864 1.00 . A A . 42 LYS HB2 1 1 4 4285 1 1 42 LYS HB3 H 0.290 3.259 13.701 1.00 . A A . 42 LYS HB3 1 1 4 4286 1 1 42 LYS HD2 H 2.273 1.970 16.518 1.00 . A A . 42 LYS HD2 1 1 4 4287 1 1 42 LYS HD3 H 2.034 3.547 15.742 1.00 . A A . 42 LYS HD3 1 1 4 4288 1 1 42 LYS HE2 H -0.393 3.277 15.766 1.00 . A A . 42 LYS HE2 1 1 4 4289 1 1 42 LYS HE3 H -0.261 1.556 16.157 1.00 . A A . 42 LYS HE3 1 1 4 4290 1 1 42 LYS HG2 H 1.326 0.841 14.518 1.00 . A A . 42 LYS HG2 1 1 4 4291 1 1 42 LYS HG3 H 2.820 1.726 14.197 1.00 . A A . 42 LYS HG3 1 1 4 4292 1 1 42 LYS HZ1 H -0.886 2.882 18.034 1.00 . A A . 42 LYS HZ1 1 1 4 4293 1 1 42 LYS HZ2 H 0.565 2.162 18.310 1.00 . A A . 42 LYS HZ2 1 1 4 4294 1 1 42 LYS HZ3 H 0.496 3.769 17.944 1.00 . A A . 42 LYS HZ3 1 1 4 4295 1 1 42 LYS N N 1.520 0.783 11.775 1.00 . A A . 42 LYS N 1 1 4 4296 1 1 42 LYS NZ N 0.088 2.863 17.759 1.00 . A A . 42 LYS NZ 1 1 4 4297 1 1 42 LYS O O -1.253 3.010 11.292 1.00 . A A . 42 LYS O 1 1 4 4298 1 1 43 SER C C 0.068 2.693 7.628 1.00 . A A . 43 SER C 1 1 4 4299 1 1 43 SER CA C 0.247 3.525 8.902 1.00 . A A . 43 SER CA 1 1 4 4300 1 1 43 SER CB C 1.434 4.431 8.685 1.00 . A A . 43 SER CB 1 1 4 4301 1 1 43 SER H H 1.490 2.233 9.990 1.00 . A A . 43 SER H 1 1 4 4302 1 1 43 SER HA H -0.646 4.122 9.088 1.00 . A A . 43 SER HA 1 1 4 4303 1 1 43 SER HB2 H 2.257 3.794 8.388 1.00 . A A . 43 SER HB2 1 1 4 4304 1 1 43 SER HB3 H 1.153 5.058 7.855 1.00 . A A . 43 SER HB3 1 1 4 4305 1 1 43 SER HG H 2.695 4.795 10.101 1.00 . A A . 43 SER HG 1 1 4 4306 1 1 43 SER N N 0.584 2.688 10.039 1.00 . A A . 43 SER N 1 1 4 4307 1 1 43 SER O O 0.472 3.081 6.537 1.00 . A A . 43 SER O 1 1 4 4308 1 1 43 SER OG O 1.810 5.131 9.855 1.00 . A A . 43 SER OG 1 1 4 4309 1 1 44 ALA C C -1.829 -0.343 7.150 1.00 . A A . 44 ALA C 1 1 4 4310 1 1 44 ALA CA C -0.588 0.446 6.808 1.00 . A A . 44 ALA CA 1 1 4 4311 1 1 44 ALA CB C 0.615 -0.498 6.899 1.00 . A A . 44 ALA CB 1 1 4 4312 1 1 44 ALA H H -0.753 1.341 8.747 1.00 . A A . 44 ALA H 1 1 4 4313 1 1 44 ALA HA H -0.642 0.829 5.790 1.00 . A A . 44 ALA HA 1 1 4 4314 1 1 44 ALA HB1 H 0.392 -1.384 6.316 1.00 . A A . 44 ALA HB1 1 1 4 4315 1 1 44 ALA HB2 H 1.512 -0.020 6.512 1.00 . A A . 44 ALA HB2 1 1 4 4316 1 1 44 ALA HB3 H 0.793 -0.822 7.922 1.00 . A A . 44 ALA HB3 1 1 4 4317 1 1 44 ALA N N -0.491 1.509 7.797 1.00 . A A . 44 ALA N 1 1 4 4318 1 1 44 ALA O O -2.758 -0.479 6.353 1.00 . A A . 44 ALA O 1 1 4 4319 1 1 45 HIS C C -4.059 -1.029 9.392 1.00 . A A . 45 HIS C 1 1 4 4320 1 1 45 HIS CA C -2.820 -1.770 8.881 1.00 . A A . 45 HIS CA 1 1 4 4321 1 1 45 HIS CB C -2.242 -2.715 9.952 1.00 . A A . 45 HIS CB 1 1 4 4322 1 1 45 HIS CD2 C -0.590 -4.442 8.959 1.00 . A A . 45 HIS CD2 1 1 4 4323 1 1 45 HIS CE1 C -1.950 -6.148 8.769 1.00 . A A . 45 HIS CE1 1 1 4 4324 1 1 45 HIS CG C -1.827 -4.061 9.413 1.00 . A A . 45 HIS CG 1 1 4 4325 1 1 45 HIS H H -1.010 -0.536 8.964 1.00 . A A . 45 HIS H 1 1 4 4326 1 1 45 HIS HA H -3.165 -2.390 8.050 1.00 . A A . 45 HIS HA 1 1 4 4327 1 1 45 HIS HB2 H -1.405 -2.264 10.474 1.00 . A A . 45 HIS HB2 1 1 4 4328 1 1 45 HIS HB3 H -3.011 -2.910 10.701 1.00 . A A . 45 HIS HB3 1 1 4 4329 1 1 45 HIS HD1 H -3.641 -5.170 9.547 1.00 . A A . 45 HIS HD1 1 1 4 4330 1 1 45 HIS HD2 H 0.292 -3.824 8.916 1.00 . A A . 45 HIS HD2 1 1 4 4331 1 1 45 HIS HE1 H -2.347 -7.121 8.543 1.00 . A A . 45 HIS HE1 1 1 4 4332 1 1 45 HIS N N -1.802 -0.846 8.385 1.00 . A A . 45 HIS N 1 1 4 4333 1 1 45 HIS ND1 N -2.666 -5.142 9.293 1.00 . A A . 45 HIS ND1 1 1 4 4334 1 1 45 HIS NE2 N -0.679 -5.780 8.545 1.00 . A A . 45 HIS NE2 1 1 4 4335 1 1 45 HIS O O -5.097 -1.651 9.608 1.00 . A A . 45 HIS O 1 1 4 4336 1 1 46 LYS C C -5.967 1.611 9.260 1.00 . A A . 46 LYS C 1 1 4 4337 1 1 46 LYS CA C -4.943 1.095 10.276 1.00 . A A . 46 LYS CA 1 1 4 4338 1 1 46 LYS CB C -4.187 2.198 11.031 1.00 . A A . 46 LYS CB 1 1 4 4339 1 1 46 LYS CD C -6.141 3.750 11.651 1.00 . A A . 46 LYS CD 1 1 4 4340 1 1 46 LYS CE C -6.250 5.111 12.354 1.00 . A A . 46 LYS CE 1 1 4 4341 1 1 46 LYS CG C -4.946 2.927 12.143 1.00 . A A . 46 LYS CG 1 1 4 4342 1 1 46 LYS H H -3.060 0.721 9.397 1.00 . A A . 46 LYS H 1 1 4 4343 1 1 46 LYS HA H -5.464 0.481 11.013 1.00 . A A . 46 LYS HA 1 1 4 4344 1 1 46 LYS HB2 H -3.355 1.706 11.536 1.00 . A A . 46 LYS HB2 1 1 4 4345 1 1 46 LYS HB3 H -3.768 2.926 10.335 1.00 . A A . 46 LYS HB3 1 1 4 4346 1 1 46 LYS HD2 H -6.035 3.929 10.588 1.00 . A A . 46 LYS HD2 1 1 4 4347 1 1 46 LYS HD3 H -7.058 3.174 11.803 1.00 . A A . 46 LYS HD3 1 1 4 4348 1 1 46 LYS HE2 H -7.239 5.527 12.152 1.00 . A A . 46 LYS HE2 1 1 4 4349 1 1 46 LYS HE3 H -6.144 4.977 13.433 1.00 . A A . 46 LYS HE3 1 1 4 4350 1 1 46 LYS HG2 H -5.281 2.201 12.883 1.00 . A A . 46 LYS HG2 1 1 4 4351 1 1 46 LYS HG3 H -4.209 3.578 12.607 1.00 . A A . 46 LYS HG3 1 1 4 4352 1 1 46 LYS HZ1 H -5.279 6.942 12.356 1.00 . A A . 46 LYS HZ1 1 1 4 4353 1 1 46 LYS HZ2 H -4.307 5.689 11.891 1.00 . A A . 46 LYS HZ2 1 1 4 4354 1 1 46 LYS HZ3 H -5.425 6.280 10.871 1.00 . A A . 46 LYS HZ3 1 1 4 4355 1 1 46 LYS N N -3.940 0.282 9.611 1.00 . A A . 46 LYS N 1 1 4 4356 1 1 46 LYS NZ N -5.241 6.070 11.852 1.00 . A A . 46 LYS NZ 1 1 4 4357 1 1 46 LYS O O -7.133 1.228 9.321 1.00 . A A . 46 LYS O 1 1 4 4358 1 1 47 ASP C C -5.822 3.461 6.077 1.00 . A A . 47 ASP C 1 1 4 4359 1 1 47 ASP CA C -6.401 3.304 7.486 1.00 . A A . 47 ASP CA 1 1 4 4360 1 1 47 ASP CB C -6.640 4.696 8.100 1.00 . A A . 47 ASP CB 1 1 4 4361 1 1 47 ASP CG C -5.359 5.393 8.547 1.00 . A A . 47 ASP CG 1 1 4 4362 1 1 47 ASP H H -4.598 2.883 8.451 1.00 . A A . 47 ASP H 1 1 4 4363 1 1 47 ASP HA H -7.364 2.813 7.374 1.00 . A A . 47 ASP HA 1 1 4 4364 1 1 47 ASP HB2 H -7.135 5.340 7.373 1.00 . A A . 47 ASP HB2 1 1 4 4365 1 1 47 ASP HB3 H -7.316 4.599 8.947 1.00 . A A . 47 ASP HB3 1 1 4 4366 1 1 47 ASP N N -5.541 2.511 8.367 1.00 . A A . 47 ASP N 1 1 4 4367 1 1 47 ASP O O -6.381 4.203 5.269 1.00 . A A . 47 ASP O 1 1 4 4368 1 1 47 ASP OD1 O -4.266 4.833 8.320 1.00 . A A . 47 ASP OD1 1 1 4 4369 1 1 47 ASP OD2 O -5.504 6.412 9.260 1.00 . A A . 47 ASP OD2 1 1 4 4370 1 1 48 ALA C C -4.471 1.784 3.515 1.00 . A A . 48 ALA C 1 1 4 4371 1 1 48 ALA CA C -4.054 2.905 4.476 1.00 . A A . 48 ALA CA 1 1 4 4372 1 1 48 ALA CB C -2.542 2.986 4.730 1.00 . A A . 48 ALA CB 1 1 4 4373 1 1 48 ALA H H -4.338 2.143 6.445 1.00 . A A . 48 ALA H 1 1 4 4374 1 1 48 ALA HA H -4.332 3.846 3.998 1.00 . A A . 48 ALA HA 1 1 4 4375 1 1 48 ALA HB1 H -2.235 2.195 5.410 1.00 . A A . 48 ALA HB1 1 1 4 4376 1 1 48 ALA HB2 H -1.981 2.921 3.795 1.00 . A A . 48 ALA HB2 1 1 4 4377 1 1 48 ALA HB3 H -2.305 3.938 5.208 1.00 . A A . 48 ALA HB3 1 1 4 4378 1 1 48 ALA N N -4.733 2.761 5.754 1.00 . A A . 48 ALA N 1 1 4 4379 1 1 48 ALA O O -5.499 1.884 2.841 1.00 . A A . 48 ALA O 1 1 4 4380 1 1 49 CYS C C -5.123 -0.992 2.489 1.00 . A A . 49 CYS C 1 1 4 4381 1 1 49 CYS CA C -3.765 -0.291 2.390 1.00 . A A . 49 CYS CA 1 1 4 4382 1 1 49 CYS CB C -2.627 -1.289 2.489 1.00 . A A . 49 CYS CB 1 1 4 4383 1 1 49 CYS H H -2.914 0.657 4.103 1.00 . A A . 49 CYS H 1 1 4 4384 1 1 49 CYS HA H -3.710 0.206 1.422 1.00 . A A . 49 CYS HA 1 1 4 4385 1 1 49 CYS HB2 H -2.820 -1.952 3.319 1.00 . A A . 49 CYS HB2 1 1 4 4386 1 1 49 CYS HB3 H -2.601 -1.901 1.588 1.00 . A A . 49 CYS HB3 1 1 4 4387 1 1 49 CYS N N -3.668 0.721 3.439 1.00 . A A . 49 CYS N 1 1 4 4388 1 1 49 CYS O O -5.992 -0.856 1.622 1.00 . A A . 49 CYS O 1 1 4 4389 1 1 49 CYS SG S -0.976 -0.600 2.846 1.00 . A A . 49 CYS SG 1 1 4 4390 1 1 50 LYS C C -7.628 -1.454 4.401 1.00 . A A . 50 LYS C 1 1 4 4391 1 1 50 LYS CA C -6.564 -2.430 3.888 1.00 . A A . 50 LYS CA 1 1 4 4392 1 1 50 LYS CB C -6.246 -3.568 4.867 1.00 . A A . 50 LYS CB 1 1 4 4393 1 1 50 LYS CD C -6.986 -5.734 5.898 1.00 . A A . 50 LYS CD 1 1 4 4394 1 1 50 LYS CE C -8.192 -6.400 6.573 1.00 . A A . 50 LYS CE 1 1 4 4395 1 1 50 LYS CG C -7.413 -4.553 5.017 1.00 . A A . 50 LYS CG 1 1 4 4396 1 1 50 LYS H H -4.620 -1.689 4.314 1.00 . A A . 50 LYS H 1 1 4 4397 1 1 50 LYS HA H -6.928 -2.878 2.961 1.00 . A A . 50 LYS HA 1 1 4 4398 1 1 50 LYS HB2 H -5.386 -4.115 4.484 1.00 . A A . 50 LYS HB2 1 1 4 4399 1 1 50 LYS HB3 H -5.985 -3.147 5.839 1.00 . A A . 50 LYS HB3 1 1 4 4400 1 1 50 LYS HD2 H -6.479 -6.464 5.262 1.00 . A A . 50 LYS HD2 1 1 4 4401 1 1 50 LYS HD3 H -6.273 -5.403 6.657 1.00 . A A . 50 LYS HD3 1 1 4 4402 1 1 50 LYS HE2 H -8.951 -6.621 5.820 1.00 . A A . 50 LYS HE2 1 1 4 4403 1 1 50 LYS HE3 H -7.865 -7.343 7.016 1.00 . A A . 50 LYS HE3 1 1 4 4404 1 1 50 LYS HG2 H -8.260 -4.028 5.451 1.00 . A A . 50 LYS HG2 1 1 4 4405 1 1 50 LYS HG3 H -7.714 -4.928 4.034 1.00 . A A . 50 LYS HG3 1 1 4 4406 1 1 50 LYS HZ1 H -9.549 -6.017 8.073 1.00 . A A . 50 LYS HZ1 1 1 4 4407 1 1 50 LYS HZ2 H -8.068 -5.358 8.348 1.00 . A A . 50 LYS HZ2 1 1 4 4408 1 1 50 LYS HZ3 H -9.082 -4.667 7.260 1.00 . A A . 50 LYS HZ3 1 1 4 4409 1 1 50 LYS N N -5.339 -1.700 3.603 1.00 . A A . 50 LYS N 1 1 4 4410 1 1 50 LYS NZ N -8.764 -5.548 7.640 1.00 . A A . 50 LYS NZ 1 1 4 4411 1 1 50 LYS O O -8.184 -1.607 5.487 1.00 . A A . 50 LYS O 1 1 4 4412 1 1 51 THR C C -9.182 1.146 2.370 1.00 . A A . 51 THR C 1 1 4 4413 1 1 51 THR CA C -8.925 0.574 3.760 1.00 . A A . 51 THR CA 1 1 4 4414 1 1 51 THR CB C -8.482 1.630 4.781 1.00 . A A . 51 THR CB 1 1 4 4415 1 1 51 THR CG2 C -9.369 2.878 4.779 1.00 . A A . 51 THR CG2 1 1 4 4416 1 1 51 THR H H -7.335 -0.384 2.751 1.00 . A A . 51 THR H 1 1 4 4417 1 1 51 THR HA H -9.846 0.105 4.111 1.00 . A A . 51 THR HA 1 1 4 4418 1 1 51 THR HB H -7.459 1.928 4.559 1.00 . A A . 51 THR HB 1 1 4 4419 1 1 51 THR HG1 H -8.275 0.143 6.043 1.00 . A A . 51 THR HG1 1 1 4 4420 1 1 51 THR HG21 H -9.060 3.540 5.589 1.00 . A A . 51 THR HG21 1 1 4 4421 1 1 51 THR HG22 H -9.267 3.421 3.840 1.00 . A A . 51 THR HG22 1 1 4 4422 1 1 51 THR HG23 H -10.411 2.598 4.931 1.00 . A A . 51 THR HG23 1 1 4 4423 1 1 51 THR N N -7.895 -0.433 3.594 1.00 . A A . 51 THR N 1 1 4 4424 1 1 51 THR O O -10.323 1.145 1.911 1.00 . A A . 51 THR O 1 1 4 4425 1 1 51 THR OG1 O -8.545 1.068 6.075 1.00 . A A . 51 THR OG1 1 1 4 4426 1 1 52 CYS C C -8.726 0.736 -0.567 1.00 . A A . 52 CYS C 1 1 4 4427 1 1 52 CYS CA C -8.236 1.923 0.260 1.00 . A A . 52 CYS CA 1 1 4 4428 1 1 52 CYS CB C -6.907 2.410 -0.241 1.00 . A A . 52 CYS CB 1 1 4 4429 1 1 52 CYS H H -7.196 1.582 2.082 1.00 . A A . 52 CYS H 1 1 4 4430 1 1 52 CYS HA H -8.963 2.734 0.183 1.00 . A A . 52 CYS HA 1 1 4 4431 1 1 52 CYS HB2 H -6.420 2.964 0.562 1.00 . A A . 52 CYS HB2 1 1 4 4432 1 1 52 CYS HB3 H -6.277 1.568 -0.521 1.00 . A A . 52 CYS HB3 1 1 4 4433 1 1 52 CYS N N -8.124 1.557 1.664 1.00 . A A . 52 CYS N 1 1 4 4434 1 1 52 CYS O O -9.582 0.896 -1.435 1.00 . A A . 52 CYS O 1 1 4 4435 1 1 52 CYS SG S -7.142 3.602 -1.590 1.00 . A A . 52 CYS SG 1 1 4 4436 1 1 53 HIS C C -9.961 -2.219 -0.857 1.00 . A A . 53 HIS C 1 1 4 4437 1 1 53 HIS CA C -8.521 -1.690 -1.025 1.00 . A A . 53 HIS CA 1 1 4 4438 1 1 53 HIS CB C -7.554 -2.790 -0.571 1.00 . A A . 53 HIS CB 1 1 4 4439 1 1 53 HIS CD2 C -5.593 -1.961 -1.987 1.00 . A A . 53 HIS CD2 1 1 4 4440 1 1 53 HIS CE1 C -4.012 -3.190 -1.123 1.00 . A A . 53 HIS CE1 1 1 4 4441 1 1 53 HIS CG C -6.108 -2.622 -0.909 1.00 . A A . 53 HIS CG 1 1 4 4442 1 1 53 HIS H H -7.466 -0.513 0.405 1.00 . A A . 53 HIS H 1 1 4 4443 1 1 53 HIS HA H -8.375 -1.495 -2.088 1.00 . A A . 53 HIS HA 1 1 4 4444 1 1 53 HIS HB2 H -7.663 -2.944 0.502 1.00 . A A . 53 HIS HB2 1 1 4 4445 1 1 53 HIS HB3 H -7.821 -3.712 -1.068 1.00 . A A . 53 HIS HB3 1 1 4 4446 1 1 53 HIS HD1 H -5.194 -4.049 0.384 1.00 . A A . 53 HIS HD1 1 1 4 4447 1 1 53 HIS HD2 H -6.091 -1.316 -2.683 1.00 . A A . 53 HIS HD2 1 1 4 4448 1 1 53 HIS HE1 H -3.057 -3.658 -0.970 1.00 . A A . 53 HIS HE1 1 1 4 4449 1 1 53 HIS N N -8.219 -0.470 -0.278 1.00 . A A . 53 HIS N 1 1 4 4450 1 1 53 HIS ND1 N -5.111 -3.404 -0.383 1.00 . A A . 53 HIS ND1 1 1 4 4451 1 1 53 HIS NE2 N -4.254 -2.308 -2.100 1.00 . A A . 53 HIS NE2 1 1 4 4452 1 1 53 HIS O O -10.151 -3.436 -0.808 1.00 . A A . 53 HIS O 1 1 4 4453 1 1 54 LYS C C -12.742 -2.763 -1.709 1.00 . A A . 54 LYS C 1 1 4 4454 1 1 54 LYS CA C -12.384 -1.656 -0.717 1.00 . A A . 54 LYS CA 1 1 4 4455 1 1 54 LYS CB C -13.226 -0.405 -0.978 1.00 . A A . 54 LYS CB 1 1 4 4456 1 1 54 LYS CD C -13.394 0.482 1.485 1.00 . A A . 54 LYS CD 1 1 4 4457 1 1 54 LYS CE C -14.880 0.708 1.812 1.00 . A A . 54 LYS CE 1 1 4 4458 1 1 54 LYS CG C -12.995 0.735 0.020 1.00 . A A . 54 LYS CG 1 1 4 4459 1 1 54 LYS H H -10.730 -0.374 -0.907 1.00 . A A . 54 LYS H 1 1 4 4460 1 1 54 LYS HA H -12.625 -1.962 0.295 1.00 . A A . 54 LYS HA 1 1 4 4461 1 1 54 LYS HB2 H -12.989 -0.030 -1.975 1.00 . A A . 54 LYS HB2 1 1 4 4462 1 1 54 LYS HB3 H -14.274 -0.690 -0.962 1.00 . A A . 54 LYS HB3 1 1 4 4463 1 1 54 LYS HD2 H -13.059 -0.500 1.809 1.00 . A A . 54 LYS HD2 1 1 4 4464 1 1 54 LYS HD3 H -12.841 1.214 2.078 1.00 . A A . 54 LYS HD3 1 1 4 4465 1 1 54 LYS HE2 H -14.995 0.669 2.898 1.00 . A A . 54 LYS HE2 1 1 4 4466 1 1 54 LYS HE3 H -15.179 1.705 1.479 1.00 . A A . 54 LYS HE3 1 1 4 4467 1 1 54 LYS HG2 H -11.943 1.019 -0.010 1.00 . A A . 54 LYS HG2 1 1 4 4468 1 1 54 LYS HG3 H -13.554 1.585 -0.346 1.00 . A A . 54 LYS HG3 1 1 4 4469 1 1 54 LYS HZ1 H -15.752 -0.229 0.207 1.00 . A A . 54 LYS HZ1 1 1 4 4470 1 1 54 LYS HZ2 H -15.487 -1.231 1.491 1.00 . A A . 54 LYS HZ2 1 1 4 4471 1 1 54 LYS HZ3 H -16.722 -0.145 1.525 1.00 . A A . 54 LYS HZ3 1 1 4 4472 1 1 54 LYS N N -10.969 -1.344 -0.792 1.00 . A A . 54 LYS N 1 1 4 4473 1 1 54 LYS NZ N -15.773 -0.303 1.213 1.00 . A A . 54 LYS NZ 1 1 4 4474 1 1 54 LYS O O -12.871 -2.527 -2.906 1.00 . A A . 54 LYS O 1 1 4 4475 1 1 55 SER C C -11.908 -5.687 -2.664 1.00 . A A . 55 SER C 1 1 4 4476 1 1 55 SER CA C -13.172 -5.189 -1.958 1.00 . A A . 55 SER CA 1 1 4 4477 1 1 55 SER CB C -14.360 -4.997 -2.917 1.00 . A A . 55 SER CB 1 1 4 4478 1 1 55 SER H H -12.549 -4.080 -0.248 1.00 . A A . 55 SER H 1 1 4 4479 1 1 55 SER HA H -13.466 -5.946 -1.228 1.00 . A A . 55 SER HA 1 1 4 4480 1 1 55 SER HB2 H -15.125 -4.385 -2.439 1.00 . A A . 55 SER HB2 1 1 4 4481 1 1 55 SER HB3 H -14.041 -4.512 -3.842 1.00 . A A . 55 SER HB3 1 1 4 4482 1 1 55 SER HG H -15.628 -6.137 -3.874 1.00 . A A . 55 SER HG 1 1 4 4483 1 1 55 SER N N -12.882 -3.982 -1.195 1.00 . A A . 55 SER N 1 1 4 4484 1 1 55 SER O O -11.473 -6.802 -2.383 1.00 . A A . 55 SER O 1 1 4 4485 1 1 55 SER OG O -14.930 -6.254 -3.223 1.00 . A A . 55 SER OG 1 1 4 4486 1 1 56 ASN C C -9.092 -5.988 -3.562 1.00 . A A . 56 ASN C 1 1 4 4487 1 1 56 ASN CA C -10.096 -5.116 -4.313 1.00 . A A . 56 ASN CA 1 1 4 4488 1 1 56 ASN CB C -9.361 -3.819 -4.697 1.00 . A A . 56 ASN CB 1 1 4 4489 1 1 56 ASN CG C -10.225 -2.720 -5.301 1.00 . A A . 56 ASN CG 1 1 4 4490 1 1 56 ASN H H -11.766 -3.950 -3.677 1.00 . A A . 56 ASN H 1 1 4 4491 1 1 56 ASN HA H -10.404 -5.631 -5.225 1.00 . A A . 56 ASN HA 1 1 4 4492 1 1 56 ASN HB2 H -8.880 -3.407 -3.809 1.00 . A A . 56 ASN HB2 1 1 4 4493 1 1 56 ASN HB3 H -8.581 -4.071 -5.418 1.00 . A A . 56 ASN HB3 1 1 4 4494 1 1 56 ASN HD21 H -8.705 -1.382 -5.122 1.00 . A A . 56 ASN HD21 1 1 4 4495 1 1 56 ASN HD22 H -10.207 -0.754 -5.772 1.00 . A A . 56 ASN HD22 1 1 4 4496 1 1 56 ASN N N -11.303 -4.841 -3.515 1.00 . A A . 56 ASN N 1 1 4 4497 1 1 56 ASN ND2 N -9.661 -1.520 -5.410 1.00 . A A . 56 ASN ND2 1 1 4 4498 1 1 56 ASN O O -8.501 -6.914 -4.114 1.00 . A A . 56 ASN O 1 1 4 4499 1 1 56 ASN OD1 O -11.384 -2.930 -5.642 1.00 . A A . 56 ASN OD1 1 1 4 4500 1 1 57 ASN C C -8.780 -6.255 0.020 1.00 . A A . 57 ASN C 1 1 4 4501 1 1 57 ASN CA C -8.143 -6.486 -1.349 1.00 . A A . 57 ASN CA 1 1 4 4502 1 1 57 ASN CB C -6.632 -6.183 -1.429 1.00 . A A . 57 ASN CB 1 1 4 4503 1 1 57 ASN CG C -5.822 -7.407 -1.838 1.00 . A A . 57 ASN CG 1 1 4 4504 1 1 57 ASN H H -9.428 -4.892 -1.903 1.00 . A A . 57 ASN H 1 1 4 4505 1 1 57 ASN HA H -8.317 -7.537 -1.591 1.00 . A A . 57 ASN HA 1 1 4 4506 1 1 57 ASN HB2 H -6.436 -5.398 -2.161 1.00 . A A . 57 ASN HB2 1 1 4 4507 1 1 57 ASN HB3 H -6.243 -5.849 -0.470 1.00 . A A . 57 ASN HB3 1 1 4 4508 1 1 57 ASN HD21 H -6.861 -7.583 -3.587 1.00 . A A . 57 ASN HD21 1 1 4 4509 1 1 57 ASN HD22 H -5.555 -8.739 -3.335 1.00 . A A . 57 ASN HD22 1 1 4 4510 1 1 57 ASN N N -8.881 -5.657 -2.287 1.00 . A A . 57 ASN N 1 1 4 4511 1 1 57 ASN ND2 N -6.100 -7.953 -3.019 1.00 . A A . 57 ASN ND2 1 1 4 4512 1 1 57 ASN O O -8.140 -5.800 0.966 1.00 . A A . 57 ASN O 1 1 4 4513 1 1 57 ASN OD1 O -4.957 -7.860 -1.095 1.00 . A A . 57 ASN OD1 1 1 4 4514 1 1 58 GLY C C -10.603 -7.616 2.185 1.00 . A A . 58 GLY C 1 1 4 4515 1 1 58 GLY CA C -10.870 -6.395 1.303 1.00 . A A . 58 GLY CA 1 1 4 4516 1 1 58 GLY H H -10.546 -6.868 -0.752 1.00 . A A . 58 GLY H 1 1 4 4517 1 1 58 GLY HA2 H -10.578 -5.491 1.837 1.00 . A A . 58 GLY HA2 1 1 4 4518 1 1 58 GLY HA3 H -11.923 -6.305 1.042 1.00 . A A . 58 GLY HA3 1 1 4 4519 1 1 58 GLY N N -10.087 -6.524 0.087 1.00 . A A . 58 GLY N 1 1 4 4520 1 1 58 GLY O O -9.733 -7.558 3.054 1.00 . A A . 58 GLY O 1 1 4 4521 1 1 59 PRO C C -10.294 -10.895 1.572 1.00 . A A . 59 PRO C 1 1 4 4522 1 1 59 PRO CA C -11.028 -10.015 2.564 1.00 . A A . 59 PRO CA 1 1 4 4523 1 1 59 PRO CB C -12.403 -10.600 2.887 1.00 . A A . 59 PRO CB 1 1 4 4524 1 1 59 PRO CD C -12.612 -8.795 1.288 1.00 . A A . 59 PRO CD 1 1 4 4525 1 1 59 PRO CG C -13.206 -10.163 1.655 1.00 . A A . 59 PRO CG 1 1 4 4526 1 1 59 PRO HA H -10.302 -9.977 3.394 1.00 . A A . 59 PRO HA 1 1 4 4527 1 1 59 PRO HB2 H -12.398 -11.684 3.011 1.00 . A A . 59 PRO HB2 1 1 4 4528 1 1 59 PRO HB3 H -12.807 -10.117 3.779 1.00 . A A . 59 PRO HB3 1 1 4 4529 1 1 59 PRO HD2 H -12.489 -8.707 0.207 1.00 . A A . 59 PRO HD2 1 1 4 4530 1 1 59 PRO HD3 H -13.281 -8.016 1.655 1.00 . A A . 59 PRO HD3 1 1 4 4531 1 1 59 PRO HG2 H -13.030 -10.864 0.835 1.00 . A A . 59 PRO HG2 1 1 4 4532 1 1 59 PRO HG3 H -14.276 -10.106 1.861 1.00 . A A . 59 PRO HG3 1 1 4 4533 1 1 59 PRO N N -11.331 -8.724 1.976 1.00 . A A . 59 PRO N 1 1 4 4534 1 1 59 PRO O O -10.131 -10.572 0.399 1.00 . A A . 59 PRO O 1 1 4 4535 1 1 60 THR C C -7.906 -13.171 3.094 1.00 . A A . 60 THR C 1 1 4 4536 1 1 60 THR CA C -8.404 -12.425 1.841 1.00 . A A . 60 THR CA 1 1 4 4537 1 1 60 THR CB C -7.491 -11.260 1.376 1.00 . A A . 60 THR CB 1 1 4 4538 1 1 60 THR CG2 C -7.452 -9.988 2.239 1.00 . A A . 60 THR CG2 1 1 4 4539 1 1 60 THR H H -10.056 -12.192 3.076 1.00 . A A . 60 THR H 1 1 4 4540 1 1 60 THR HA H -8.473 -13.146 1.026 1.00 . A A . 60 THR HA 1 1 4 4541 1 1 60 THR HB H -7.720 -10.991 0.343 1.00 . A A . 60 THR HB 1 1 4 4542 1 1 60 THR HG1 H -5.955 -11.746 2.330 1.00 . A A . 60 THR HG1 1 1 4 4543 1 1 60 THR HG21 H -7.343 -10.223 3.296 1.00 . A A . 60 THR HG21 1 1 4 4544 1 1 60 THR HG22 H -6.599 -9.381 1.932 1.00 . A A . 60 THR HG22 1 1 4 4545 1 1 60 THR HG23 H -8.333 -9.376 2.085 1.00 . A A . 60 THR HG23 1 1 4 4546 1 1 60 THR N N -9.732 -11.949 2.153 1.00 . A A . 60 THR N 1 1 4 4547 1 1 60 THR O O -7.345 -14.255 2.987 1.00 . A A . 60 THR O 1 1 4 4548 1 1 60 THR OG1 O -6.182 -11.710 1.393 1.00 . A A . 60 THR OG1 1 1 4 4549 1 1 61 LYS C C -6.341 -13.439 5.678 1.00 . A A . 61 LYS C 1 1 4 4550 1 1 61 LYS CA C -7.851 -13.217 5.582 1.00 . A A . 61 LYS CA 1 1 4 4551 1 1 61 LYS CB C -8.676 -14.491 5.856 1.00 . A A . 61 LYS CB 1 1 4 4552 1 1 61 LYS CD C -10.400 -13.764 7.644 1.00 . A A . 61 LYS CD 1 1 4 4553 1 1 61 LYS CE C -10.239 -14.932 8.637 1.00 . A A . 61 LYS CE 1 1 4 4554 1 1 61 LYS CG C -10.150 -14.199 6.186 1.00 . A A . 61 LYS CG 1 1 4 4555 1 1 61 LYS H H -8.582 -11.693 4.302 1.00 . A A . 61 LYS H 1 1 4 4556 1 1 61 LYS HA H -8.100 -12.490 6.354 1.00 . A A . 61 LYS HA 1 1 4 4557 1 1 61 LYS HB2 H -8.636 -15.142 4.984 1.00 . A A . 61 LYS HB2 1 1 4 4558 1 1 61 LYS HB3 H -8.228 -15.039 6.683 1.00 . A A . 61 LYS HB3 1 1 4 4559 1 1 61 LYS HD2 H -9.728 -12.946 7.906 1.00 . A A . 61 LYS HD2 1 1 4 4560 1 1 61 LYS HD3 H -11.426 -13.394 7.698 1.00 . A A . 61 LYS HD3 1 1 4 4561 1 1 61 LYS HE2 H -10.884 -15.757 8.328 1.00 . A A . 61 LYS HE2 1 1 4 4562 1 1 61 LYS HE3 H -9.206 -15.286 8.636 1.00 . A A . 61 LYS HE3 1 1 4 4563 1 1 61 LYS HG2 H -10.512 -13.423 5.510 1.00 . A A . 61 LYS HG2 1 1 4 4564 1 1 61 LYS HG3 H -10.732 -15.101 5.985 1.00 . A A . 61 LYS HG3 1 1 4 4565 1 1 61 LYS HZ1 H -10.476 -15.350 10.632 1.00 . A A . 61 LYS HZ1 1 1 4 4566 1 1 61 LYS HZ2 H -9.988 -13.809 10.349 1.00 . A A . 61 LYS HZ2 1 1 4 4567 1 1 61 LYS HZ3 H -11.553 -14.245 10.072 1.00 . A A . 61 LYS HZ3 1 1 4 4568 1 1 61 LYS N N -8.181 -12.617 4.290 1.00 . A A . 61 LYS N 1 1 4 4569 1 1 61 LYS NZ N -10.591 -14.550 10.022 1.00 . A A . 61 LYS NZ 1 1 4 4570 1 1 61 LYS O O -5.870 -14.566 5.794 1.00 . A A . 61 LYS O 1 1 4 4571 1 1 62 CYS C C -3.699 -12.464 4.205 1.00 . A A . 62 CYS C 1 1 4 4572 1 1 62 CYS CA C -4.160 -12.221 5.640 1.00 . A A . 62 CYS CA 1 1 4 4573 1 1 62 CYS CB C -3.523 -13.142 6.646 1.00 . A A . 62 CYS CB 1 1 4 4574 1 1 62 CYS H H -6.123 -11.467 5.483 1.00 . A A . 62 CYS H 1 1 4 4575 1 1 62 CYS HA H -3.938 -11.197 5.909 1.00 . A A . 62 CYS HA 1 1 4 4576 1 1 62 CYS HB2 H -4.205 -13.256 7.477 1.00 . A A . 62 CYS HB2 1 1 4 4577 1 1 62 CYS HB3 H -3.357 -14.093 6.155 1.00 . A A . 62 CYS HB3 1 1 4 4578 1 1 62 CYS N N -5.617 -12.316 5.668 1.00 . A A . 62 CYS N 1 1 4 4579 1 1 62 CYS O O -4.469 -12.168 3.297 1.00 . A A . 62 CYS O 1 1 4 4580 1 1 62 CYS SG S -1.936 -12.562 7.299 1.00 . A A . 62 CYS SG 1 1 4 4581 1 1 63 GLY C C -1.610 -12.281 1.736 1.00 . A A . 63 GLY C 1 1 4 4582 1 1 63 GLY CA C -1.991 -13.419 2.685 1.00 . A A . 63 GLY CA 1 1 4 4583 1 1 63 GLY H H -1.880 -13.137 4.779 1.00 . A A . 63 GLY H 1 1 4 4584 1 1 63 GLY HA2 H -1.115 -14.047 2.851 1.00 . A A . 63 GLY HA2 1 1 4 4585 1 1 63 GLY HA3 H -2.761 -14.029 2.213 1.00 . A A . 63 GLY HA3 1 1 4 4586 1 1 63 GLY N N -2.472 -12.951 3.984 1.00 . A A . 63 GLY N 1 1 4 4587 1 1 63 GLY O O -0.499 -12.246 1.221 1.00 . A A . 63 GLY O 1 1 4 4588 1 1 64 GLY C C -1.140 -9.752 0.144 1.00 . A A . 64 GLY C 1 1 4 4589 1 1 64 GLY CA C -2.522 -10.287 0.522 1.00 . A A . 64 GLY CA 1 1 4 4590 1 1 64 GLY H H -3.427 -11.503 1.984 1.00 . A A . 64 GLY H 1 1 4 4591 1 1 64 GLY HA2 H -3.042 -10.626 -0.372 1.00 . A A . 64 GLY HA2 1 1 4 4592 1 1 64 GLY HA3 H -3.087 -9.465 0.962 1.00 . A A . 64 GLY HA3 1 1 4 4593 1 1 64 GLY N N -2.546 -11.358 1.509 1.00 . A A . 64 GLY N 1 1 4 4594 1 1 64 GLY O O -0.803 -9.663 -1.034 1.00 . A A . 64 GLY O 1 1 4 4595 1 1 65 CYS C C 2.023 -8.934 1.489 1.00 . A A . 65 CYS C 1 1 4 4596 1 1 65 CYS CA C 0.702 -8.353 0.987 1.00 . A A . 65 CYS CA 1 1 4 4597 1 1 65 CYS CB C 0.333 -7.094 1.732 1.00 . A A . 65 CYS CB 1 1 4 4598 1 1 65 CYS H H -0.742 -9.449 2.080 1.00 . A A . 65 CYS H 1 1 4 4599 1 1 65 CYS HA H 0.827 -8.097 -0.068 1.00 . A A . 65 CYS HA 1 1 4 4600 1 1 65 CYS HB2 H 0.469 -7.294 2.791 1.00 . A A . 65 CYS HB2 1 1 4 4601 1 1 65 CYS HB3 H 0.989 -6.273 1.445 1.00 . A A . 65 CYS HB3 1 1 4 4602 1 1 65 CYS N N -0.384 -9.312 1.153 1.00 . A A . 65 CYS N 1 1 4 4603 1 1 65 CYS O O 3.076 -8.666 0.917 1.00 . A A . 65 CYS O 1 1 4 4604 1 1 65 CYS SG S -1.403 -6.665 1.353 1.00 . A A . 65 CYS SG 1 1 4 4605 1 1 66 HIS C C 3.305 -11.696 2.267 1.00 . A A . 66 HIS C 1 1 4 4606 1 1 66 HIS CA C 3.143 -10.421 3.076 1.00 . A A . 66 HIS CA 1 1 4 4607 1 1 66 HIS CB C 2.964 -10.781 4.555 1.00 . A A . 66 HIS CB 1 1 4 4608 1 1 66 HIS CD2 C 1.777 -9.235 6.202 1.00 . A A . 66 HIS CD2 1 1 4 4609 1 1 66 HIS CE1 C 3.219 -7.603 6.306 1.00 . A A . 66 HIS CE1 1 1 4 4610 1 1 66 HIS CG C 2.855 -9.581 5.447 1.00 . A A . 66 HIS CG 1 1 4 4611 1 1 66 HIS H H 1.070 -9.986 2.928 1.00 . A A . 66 HIS H 1 1 4 4612 1 1 66 HIS HA H 4.028 -9.793 2.970 1.00 . A A . 66 HIS HA 1 1 4 4613 1 1 66 HIS HB2 H 2.079 -11.411 4.660 1.00 . A A . 66 HIS HB2 1 1 4 4614 1 1 66 HIS HB3 H 3.822 -11.374 4.872 1.00 . A A . 66 HIS HB3 1 1 4 4615 1 1 66 HIS HD1 H 4.594 -8.471 4.963 1.00 . A A . 66 HIS HD1 1 1 4 4616 1 1 66 HIS HD2 H 0.862 -9.782 6.311 1.00 . A A . 66 HIS HD2 1 1 4 4617 1 1 66 HIS HE1 H 3.656 -6.643 6.518 1.00 . A A . 66 HIS HE1 1 1 4 4618 1 1 66 HIS N N 1.974 -9.721 2.569 1.00 . A A . 66 HIS N 1 1 4 4619 1 1 66 HIS ND1 N 3.761 -8.555 5.521 1.00 . A A . 66 HIS ND1 1 1 4 4620 1 1 66 HIS NE2 N 2.004 -7.970 6.735 1.00 . A A . 66 HIS NE2 1 1 4 4621 1 1 66 HIS O O 2.413 -12.537 2.297 1.00 . A A . 66 HIS O 1 1 4 4622 1 1 67 ILE C C 5.059 -14.220 1.580 1.00 . A A . 67 ILE C 1 1 4 4623 1 1 67 ILE CA C 4.632 -13.021 0.720 1.00 . A A . 67 ILE CA 1 1 4 4624 1 1 67 ILE CB C 5.602 -12.654 -0.421 1.00 . A A . 67 ILE CB 1 1 4 4625 1 1 67 ILE CD1 C 3.778 -11.368 -1.746 1.00 . A A . 67 ILE CD1 1 1 4 4626 1 1 67 ILE CG1 C 5.183 -11.345 -1.132 1.00 . A A . 67 ILE CG1 1 1 4 4627 1 1 67 ILE CG2 C 5.715 -13.794 -1.446 1.00 . A A . 67 ILE CG2 1 1 4 4628 1 1 67 ILE H H 5.164 -11.160 1.637 1.00 . A A . 67 ILE H 1 1 4 4629 1 1 67 ILE HA H 3.683 -13.293 0.256 1.00 . A A . 67 ILE HA 1 1 4 4630 1 1 67 ILE HB H 6.593 -12.483 0.003 1.00 . A A . 67 ILE HB 1 1 4 4631 1 1 67 ILE HD11 H 3.601 -10.421 -2.256 1.00 . A A . 67 ILE HD11 1 1 4 4632 1 1 67 ILE HD12 H 3.684 -12.174 -2.474 1.00 . A A . 67 ILE HD12 1 1 4 4633 1 1 67 ILE HD13 H 3.019 -11.484 -0.972 1.00 . A A . 67 ILE HD13 1 1 4 4634 1 1 67 ILE HG12 H 5.223 -10.509 -0.432 1.00 . A A . 67 ILE HG12 1 1 4 4635 1 1 67 ILE HG13 H 5.898 -11.139 -1.929 1.00 . A A . 67 ILE HG13 1 1 4 4636 1 1 67 ILE HG21 H 6.319 -13.471 -2.294 1.00 . A A . 67 ILE HG21 1 1 4 4637 1 1 67 ILE HG22 H 6.197 -14.663 -1.000 1.00 . A A . 67 ILE HG22 1 1 4 4638 1 1 67 ILE HG23 H 4.730 -14.091 -1.803 1.00 . A A . 67 ILE HG23 1 1 4 4639 1 1 67 ILE N N 4.434 -11.865 1.582 1.00 . A A . 67 ILE N 1 1 4 4640 1 1 67 ILE O O 6.206 -14.663 1.526 1.00 . A A . 67 ILE O 1 1 4 4641 1 1 68 LYS C C 2.771 -16.442 3.359 1.00 . A A . 68 LYS C 1 1 4 4642 1 1 68 LYS CA C 4.206 -15.965 3.148 1.00 . A A . 68 LYS CA 1 1 4 4643 1 1 68 LYS CB C 4.869 -15.752 4.515 1.00 . A A . 68 LYS CB 1 1 4 4644 1 1 68 LYS CD C 7.051 -15.671 5.794 1.00 . A A . 68 LYS CD 1 1 4 4645 1 1 68 LYS CE C 7.156 -17.121 6.290 1.00 . A A . 68 LYS CE 1 1 4 4646 1 1 68 LYS CG C 6.386 -15.560 4.417 1.00 . A A . 68 LYS CG 1 1 4 4647 1 1 68 LYS H H 3.185 -14.329 2.396 1.00 . A A . 68 LYS H 1 1 4 4648 1 1 68 LYS HA H 4.739 -16.726 2.579 1.00 . A A . 68 LYS HA 1 1 4 4649 1 1 68 LYS HB2 H 4.415 -14.893 5.011 1.00 . A A . 68 LYS HB2 1 1 4 4650 1 1 68 LYS HB3 H 4.656 -16.638 5.109 1.00 . A A . 68 LYS HB3 1 1 4 4651 1 1 68 LYS HD2 H 8.052 -15.242 5.710 1.00 . A A . 68 LYS HD2 1 1 4 4652 1 1 68 LYS HD3 H 6.472 -15.073 6.498 1.00 . A A . 68 LYS HD3 1 1 4 4653 1 1 68 LYS HE2 H 6.164 -17.566 6.371 1.00 . A A . 68 LYS HE2 1 1 4 4654 1 1 68 LYS HE3 H 7.738 -17.704 5.573 1.00 . A A . 68 LYS HE3 1 1 4 4655 1 1 68 LYS HG2 H 6.814 -16.288 3.727 1.00 . A A . 68 LYS HG2 1 1 4 4656 1 1 68 LYS HG3 H 6.577 -14.562 4.022 1.00 . A A . 68 LYS HG3 1 1 4 4657 1 1 68 LYS HZ1 H 7.860 -18.153 7.917 1.00 . A A . 68 LYS HZ1 1 1 4 4658 1 1 68 LYS HZ2 H 8.736 -16.803 7.564 1.00 . A A . 68 LYS HZ2 1 1 4 4659 1 1 68 LYS HZ3 H 7.262 -16.664 8.286 1.00 . A A . 68 LYS HZ3 1 1 4 4660 1 1 68 LYS N N 4.127 -14.727 2.392 1.00 . A A . 68 LYS N 1 1 4 4661 1 1 68 LYS NZ N 7.804 -17.190 7.614 1.00 . A A . 68 LYS NZ 1 1 4 4662 1 1 68 LYS O O 2.611 -17.624 3.732 1.00 . A A . 68 LYS O 1 1 4 4663 1 1 68 LYS OXT O 1.867 -15.596 3.172 1.00 . A A . 68 LYS OXT 1 1 4 4664 2 2 1 HEC C1A C 7.553 8.007 -3.135 1.00 . B A . 69 HEC C1A 1 1 4 4665 2 2 1 HEC C1B C 5.220 8.895 -6.592 1.00 . B A . 69 HEC C1B 1 1 4 4666 2 2 1 HEC C1C C 2.234 6.148 -5.285 1.00 . B A . 69 HEC C1C 1 1 4 4667 2 2 1 HEC C1D C 4.463 5.458 -1.711 1.00 . B A . 69 HEC C1D 1 1 4 4668 2 2 1 HEC C2A C 8.636 8.911 -3.427 1.00 . B A . 69 HEC C2A 1 1 4 4669 2 2 1 HEC C2B C 4.540 9.321 -7.795 1.00 . B A . 69 HEC C2B 1 1 4 4670 2 2 1 HEC C2C C 1.061 5.404 -4.908 1.00 . B A . 69 HEC C2C 1 1 4 4671 2 2 1 HEC C2D C 5.131 5.088 -0.484 1.00 . B A . 69 HEC C2D 1 1 4 4672 2 2 1 HEC C3A C 8.318 9.563 -4.586 1.00 . B A . 69 HEC C3A 1 1 4 4673 2 2 1 HEC C3B C 3.379 8.591 -7.885 1.00 . B A . 69 HEC C3B 1 1 4 4674 2 2 1 HEC C3C C 1.259 4.965 -3.618 1.00 . B A . 69 HEC C3C 1 1 4 4675 2 2 1 HEC C3D C 6.417 5.565 -0.573 1.00 . B A . 69 HEC C3D 1 1 4 4676 2 2 1 HEC C4A C 7.043 9.033 -5.026 1.00 . B A . 69 HEC C4A 1 1 4 4677 2 2 1 HEC C4B C 3.392 7.646 -6.785 1.00 . B A . 69 HEC C4B 1 1 4 4678 2 2 1 HEC C4C C 2.599 5.369 -3.238 1.00 . B A . 69 HEC C4C 1 1 4 4679 2 2 1 HEC C4D C 6.449 6.421 -1.727 1.00 . B A . 69 HEC C4D 1 1 4 4680 2 2 1 HEC CAA C 9.903 9.081 -2.625 1.00 . B A . 69 HEC CAA 1 1 4 4681 2 2 1 HEC CAB C 2.154 8.987 -8.692 1.00 . B A . 69 HEC CAB 1 1 4 4682 2 2 1 HEC CAC C 0.198 4.394 -2.692 1.00 . B A . 69 HEC CAC 1 1 4 4683 2 2 1 HEC CAD C 7.545 5.491 0.430 1.00 . B A . 69 HEC CAD 1 1 4 4684 2 2 1 HEC CBA C 10.894 7.927 -2.839 1.00 . B A . 69 HEC CBA 1 1 4 4685 2 2 1 HEC CBB C 2.400 9.294 -10.175 1.00 . B A . 69 HEC CBB 1 1 4 4686 2 2 1 HEC CBC C -0.265 2.976 -3.045 1.00 . B A . 69 HEC CBC 1 1 4 4687 2 2 1 HEC CBD C 7.704 4.291 1.368 1.00 . B A . 69 HEC CBD 1 1 4 4688 2 2 1 HEC CGA C 11.506 7.467 -1.516 1.00 . B A . 69 HEC CGA 1 1 4 4689 2 2 1 HEC CGD C 8.344 4.810 2.649 1.00 . B A . 69 HEC CGD 1 1 4 4690 2 2 1 HEC CHA C 7.516 7.225 -2.019 1.00 . B A . 69 HEC CHA 1 1 4 4691 2 2 1 HEC CHB C 6.392 9.466 -6.147 1.00 . B A . 69 HEC CHB 1 1 4 4692 2 2 1 HEC CHC C 2.334 6.814 -6.483 1.00 . B A . 69 HEC CHC 1 1 4 4693 2 2 1 HEC CHD C 3.189 5.060 -2.023 1.00 . B A . 69 HEC CHD 1 1 4 4694 2 2 1 HEC CMA C 9.180 10.619 -5.241 1.00 . B A . 69 HEC CMA 1 1 4 4695 2 2 1 HEC CMB C 4.962 10.424 -8.745 1.00 . B A . 69 HEC CMB 1 1 4 4696 2 2 1 HEC CMC C -0.198 5.296 -5.745 1.00 . B A . 69 HEC CMC 1 1 4 4697 2 2 1 HEC CMD C 4.495 4.411 0.704 1.00 . B A . 69 HEC CMD 1 1 4 4698 2 2 1 HEC FE FE 4.888 7.068 -4.243 1.00 . B A . 69 HEC FE 1 1 4 4699 2 2 1 HEC HAA1 H 10.401 10.018 -2.870 1.00 . B A . 69 HEC HAA1 1 1 4 4700 2 2 1 HEC HAA2 H 9.637 9.129 -1.571 1.00 . B A . 69 HEC HAA2 1 1 4 4701 2 2 1 HEC HAB H 1.435 8.177 -8.681 1.00 . B A . 69 HEC HAB 1 1 4 4702 2 2 1 HEC HAC H 0.583 4.354 -1.676 1.00 . B A . 69 HEC HAC 1 1 4 4703 2 2 1 HEC HAD1 H 8.510 5.566 -0.072 1.00 . B A . 69 HEC HAD1 1 1 4 4704 2 2 1 HEC HAD2 H 7.412 6.384 1.020 1.00 . B A . 69 HEC HAD2 1 1 4 4705 2 2 1 HEC HBA1 H 10.375 7.077 -3.285 1.00 . B A . 69 HEC HBA1 1 1 4 4706 2 2 1 HEC HBA2 H 11.670 8.248 -3.539 1.00 . B A . 69 HEC HBA2 1 1 4 4707 2 2 1 HEC HBB1 H 3.099 8.570 -10.595 1.00 . B A . 69 HEC HBB1 1 1 4 4708 2 2 1 HEC HBB2 H 1.461 9.218 -10.726 1.00 . B A . 69 HEC HBB2 1 1 4 4709 2 2 1 HEC HBB3 H 2.788 10.302 -10.311 1.00 . B A . 69 HEC HBB3 1 1 4 4710 2 2 1 HEC HBC1 H -0.938 2.613 -2.273 1.00 . B A . 69 HEC HBC1 1 1 4 4711 2 2 1 HEC HBC2 H -0.794 2.949 -3.994 1.00 . B A . 69 HEC HBC2 1 1 4 4712 2 2 1 HEC HBC3 H 0.592 2.304 -3.101 1.00 . B A . 69 HEC HBC3 1 1 4 4713 2 2 1 HEC HBD1 H 6.752 3.868 1.653 1.00 . B A . 69 HEC HBD1 1 1 4 4714 2 2 1 HEC HBD2 H 8.311 3.518 0.895 1.00 . B A . 69 HEC HBD2 1 1 4 4715 2 2 1 HEC HHA H 8.345 7.266 -1.329 1.00 . B A . 69 HEC HHA 1 1 4 4716 2 2 1 HEC HHB H 6.802 10.302 -6.666 1.00 . B A . 69 HEC HHB 1 1 4 4717 2 2 1 HEC HHC H 1.497 6.755 -7.148 1.00 . B A . 69 HEC HHC 1 1 4 4718 2 2 1 HEC HHD H 2.665 4.459 -1.304 1.00 . B A . 69 HEC HHD 1 1 4 4719 2 2 1 HEC HMA1 H 10.158 10.189 -5.454 1.00 . B A . 69 HEC HMA1 1 1 4 4720 2 2 1 HEC HMA2 H 8.759 11.000 -6.166 1.00 . B A . 69 HEC HMA2 1 1 4 4721 2 2 1 HEC HMA3 H 9.307 11.451 -4.548 1.00 . B A . 69 HEC HMA3 1 1 4 4722 2 2 1 HEC HMB1 H 4.215 11.216 -8.707 1.00 . B A . 69 HEC HMB1 1 1 4 4723 2 2 1 HEC HMB2 H 5.928 10.852 -8.501 1.00 . B A . 69 HEC HMB2 1 1 4 4724 2 2 1 HEC HMB3 H 5.023 10.018 -9.753 1.00 . B A . 69 HEC HMB3 1 1 4 4725 2 2 1 HEC HMC1 H 0.040 4.821 -6.696 1.00 . B A . 69 HEC HMC1 1 1 4 4726 2 2 1 HEC HMC2 H -0.974 4.723 -5.247 1.00 . B A . 69 HEC HMC2 1 1 4 4727 2 2 1 HEC HMC3 H -0.590 6.298 -5.925 1.00 . B A . 69 HEC HMC3 1 1 4 4728 2 2 1 HEC HMD1 H 4.706 3.346 0.683 1.00 . B A . 69 HEC HMD1 1 1 4 4729 2 2 1 HEC HMD2 H 4.885 4.855 1.617 1.00 . B A . 69 HEC HMD2 1 1 4 4730 2 2 1 HEC HMD3 H 3.420 4.563 0.707 1.00 . B A . 69 HEC HMD3 1 1 4 4731 2 2 1 HEC NA N 6.632 8.099 -4.130 1.00 . B A . 69 HEC NA 1 1 4 4732 2 2 1 HEC NB N 4.501 7.886 -6.029 1.00 . B A . 69 HEC NB 1 1 4 4733 2 2 1 HEC NC N 3.125 6.104 -4.266 1.00 . B A . 69 HEC NC 1 1 4 4734 2 2 1 HEC ND N 5.297 6.264 -2.417 1.00 . B A . 69 HEC ND 1 1 4 4735 2 2 1 HEC O1A O 10.736 6.868 -0.734 1.00 . B A . 69 HEC O1A 1 1 4 4736 2 2 1 HEC O1D O 7.707 5.689 3.267 1.00 . B A . 69 HEC O1D 1 1 4 4737 2 2 1 HEC O2A O 12.704 7.748 -1.297 1.00 . B A . 69 HEC O2A 1 1 4 4738 2 2 1 HEC O2D O 9.495 4.462 2.993 1.00 . B A . 69 HEC O2D 1 1 4 4739 3 2 1 HEC C1A C -2.672 -4.281 -4.695 1.00 . C A . 70 HEC C1A 1 1 4 4740 3 2 1 HEC C1B C -0.831 -2.318 -1.403 1.00 . C A . 70 HEC C1B 1 1 4 4741 3 2 1 HEC C1C C -3.461 1.019 -1.973 1.00 . C A . 70 HEC C1C 1 1 4 4742 3 2 1 HEC C1D C -5.272 -0.913 -5.303 1.00 . C A . 70 HEC C1D 1 1 4 4743 3 2 1 HEC C2A C -1.913 -5.506 -4.619 1.00 . C A . 70 HEC C2A 1 1 4 4744 3 2 1 HEC C2B C -0.238 -1.828 -0.184 1.00 . C A . 70 HEC C2B 1 1 4 4745 3 2 1 HEC C2C C -4.227 2.236 -2.034 1.00 . C A . 70 HEC C2C 1 1 4 4746 3 2 1 HEC C2D C -5.957 -1.461 -6.457 1.00 . C A . 70 HEC C2D 1 1 4 4747 3 2 1 HEC C3A C -1.019 -5.364 -3.585 1.00 . C A . 70 HEC C3A 1 1 4 4748 3 2 1 HEC C3B C -0.811 -0.605 0.084 1.00 . C A . 70 HEC C3B 1 1 4 4749 3 2 1 HEC C3C C -5.218 2.031 -2.963 1.00 . C A . 70 HEC C3C 1 1 4 4750 3 2 1 HEC C3D C -5.407 -2.694 -6.697 1.00 . C A . 70 HEC C3D 1 1 4 4751 3 2 1 HEC C4A C -1.250 -4.064 -3.000 1.00 . C A . 70 HEC C4A 1 1 4 4752 3 2 1 HEC C4B C -1.742 -0.337 -0.985 1.00 . C A . 70 HEC C4B 1 1 4 4753 3 2 1 HEC C4C C -4.875 0.803 -3.656 1.00 . C A . 70 HEC C4C 1 1 4 4754 3 2 1 HEC C4D C -4.388 -2.913 -5.700 1.00 . C A . 70 HEC C4D 1 1 4 4755 3 2 1 HEC CAA C -2.096 -6.723 -5.499 1.00 . C A . 70 HEC CAA 1 1 4 4756 3 2 1 HEC CAB C -0.592 0.269 1.306 1.00 . C A . 70 HEC CAB 1 1 4 4757 3 2 1 HEC CAC C -6.520 2.809 -3.112 1.00 . C A . 70 HEC CAC 1 1 4 4758 3 2 1 HEC CAD C -5.800 -3.662 -7.794 1.00 . C A . 70 HEC CAD 1 1 4 4759 3 2 1 HEC CBA C -1.452 -6.589 -6.886 1.00 . C A . 70 HEC CBA 1 1 4 4760 3 2 1 HEC CBB C 0.791 0.908 1.324 1.00 . C A . 70 HEC CBB 1 1 4 4761 3 2 1 HEC CBC C -6.439 3.959 -4.106 1.00 . C A . 70 HEC CBC 1 1 4 4762 3 2 1 HEC CBD C -4.750 -3.785 -8.910 1.00 . C A . 70 HEC CBD 1 1 4 4763 3 2 1 HEC CGA C -1.812 -7.765 -7.805 1.00 . C A . 70 HEC CGA 1 1 4 4764 3 2 1 HEC CGD C -5.147 -3.000 -10.162 1.00 . C A . 70 HEC CGD 1 1 4 4765 3 2 1 HEC CHA C -3.643 -4.063 -5.641 1.00 . C A . 70 HEC CHA 1 1 4 4766 3 2 1 HEC CHB C -0.563 -3.569 -1.913 1.00 . C A . 70 HEC CHB 1 1 4 4767 3 2 1 HEC CHC C -2.509 0.800 -1.024 1.00 . C A . 70 HEC CHC 1 1 4 4768 3 2 1 HEC CHD C -5.578 0.308 -4.735 1.00 . C A . 70 HEC CHD 1 1 4 4769 3 2 1 HEC CMA C 0.016 -6.379 -3.159 1.00 . C A . 70 HEC CMA 1 1 4 4770 3 2 1 HEC CMB C 0.666 -2.632 0.720 1.00 . C A . 70 HEC CMB 1 1 4 4771 3 2 1 HEC CMC C -3.957 3.484 -1.222 1.00 . C A . 70 HEC CMC 1 1 4 4772 3 2 1 HEC CMD C -7.027 -0.812 -7.307 1.00 . C A . 70 HEC CMD 1 1 4 4773 3 2 1 HEC FE FE -2.966 -1.615 -3.361 1.00 . C A . 70 HEC FE 1 1 4 4774 3 2 1 HEC HAA1 H -1.682 -7.608 -5.016 1.00 . C A . 70 HEC HAA1 1 1 4 4775 3 2 1 HEC HAA2 H -3.161 -6.911 -5.635 1.00 . C A . 70 HEC HAA2 1 1 4 4776 3 2 1 HEC HAB H -1.275 1.107 1.340 1.00 . C A . 70 HEC HAB 1 1 4 4777 3 2 1 HEC HAC H -7.273 2.118 -3.495 1.00 . C A . 70 HEC HAC 1 1 4 4778 3 2 1 HEC HAD1 H -5.939 -4.644 -7.344 1.00 . C A . 70 HEC HAD1 1 1 4 4779 3 2 1 HEC HAD2 H -6.748 -3.376 -8.245 1.00 . C A . 70 HEC HAD2 1 1 4 4780 3 2 1 HEC HBA1 H -1.792 -5.660 -7.346 1.00 . C A . 70 HEC HBA1 1 1 4 4781 3 2 1 HEC HBA2 H -0.368 -6.538 -6.768 1.00 . C A . 70 HEC HBA2 1 1 4 4782 3 2 1 HEC HBB1 H 1.572 0.155 1.389 1.00 . C A . 70 HEC HBB1 1 1 4 4783 3 2 1 HEC HBB2 H 0.946 1.490 0.414 1.00 . C A . 70 HEC HBB2 1 1 4 4784 3 2 1 HEC HBB3 H 0.841 1.579 2.177 1.00 . C A . 70 HEC HBB3 1 1 4 4785 3 2 1 HEC HBC1 H -5.646 4.639 -3.804 1.00 . C A . 70 HEC HBC1 1 1 4 4786 3 2 1 HEC HBC2 H -6.239 3.563 -5.091 1.00 . C A . 70 HEC HBC2 1 1 4 4787 3 2 1 HEC HBC3 H -7.384 4.502 -4.135 1.00 . C A . 70 HEC HBC3 1 1 4 4788 3 2 1 HEC HBD1 H -3.776 -3.446 -8.552 1.00 . C A . 70 HEC HBD1 1 1 4 4789 3 2 1 HEC HBD2 H -4.659 -4.838 -9.180 1.00 . C A . 70 HEC HBD2 1 1 4 4790 3 2 1 HEC HHA H -3.809 -4.822 -6.385 1.00 . C A . 70 HEC HHA 1 1 4 4791 3 2 1 HEC HHB H 0.163 -4.193 -1.418 1.00 . C A . 70 HEC HHB 1 1 4 4792 3 2 1 HEC HHC H -2.407 1.530 -0.244 1.00 . C A . 70 HEC HHC 1 1 4 4793 3 2 1 HEC HHD H -6.370 0.904 -5.145 1.00 . C A . 70 HEC HHD 1 1 4 4794 3 2 1 HEC HMA1 H 0.918 -5.881 -2.807 1.00 . C A . 70 HEC HMA1 1 1 4 4795 3 2 1 HEC HMA2 H -0.392 -7.012 -2.370 1.00 . C A . 70 HEC HMA2 1 1 4 4796 3 2 1 HEC HMA3 H 0.294 -7.001 -4.010 1.00 . C A . 70 HEC HMA3 1 1 4 4797 3 2 1 HEC HMB1 H 1.046 -2.008 1.521 1.00 . C A . 70 HEC HMB1 1 1 4 4798 3 2 1 HEC HMB2 H 0.084 -3.453 1.145 1.00 . C A . 70 HEC HMB2 1 1 4 4799 3 2 1 HEC HMB3 H 1.506 -3.028 0.151 1.00 . C A . 70 HEC HMB3 1 1 4 4800 3 2 1 HEC HMC1 H -4.479 4.341 -1.647 1.00 . C A . 70 HEC HMC1 1 1 4 4801 3 2 1 HEC HMC2 H -4.268 3.342 -0.190 1.00 . C A . 70 HEC HMC2 1 1 4 4802 3 2 1 HEC HMC3 H -2.892 3.703 -1.239 1.00 . C A . 70 HEC HMC3 1 1 4 4803 3 2 1 HEC HMD1 H -7.847 -1.509 -7.464 1.00 . C A . 70 HEC HMD1 1 1 4 4804 3 2 1 HEC HMD2 H -7.425 0.096 -6.862 1.00 . C A . 70 HEC HMD2 1 1 4 4805 3 2 1 HEC HMD3 H -6.586 -0.569 -8.276 1.00 . C A . 70 HEC HMD3 1 1 4 4806 3 2 1 HEC NA N -2.250 -3.453 -3.695 1.00 . C A . 70 HEC NA 1 1 4 4807 3 2 1 HEC NB N -1.734 -1.397 -1.838 1.00 . C A . 70 HEC NB 1 1 4 4808 3 2 1 HEC NC N -3.832 0.217 -2.994 1.00 . C A . 70 HEC NC 1 1 4 4809 3 2 1 HEC ND N -4.342 -1.824 -4.888 1.00 . C A . 70 HEC ND 1 1 4 4810 3 2 1 HEC O1A O -2.093 -8.855 -7.257 1.00 . C A . 70 HEC O1A 1 1 4 4811 3 2 1 HEC O1D O -4.796 -1.804 -10.291 1.00 . C A . 70 HEC O1D 1 1 4 4812 3 2 1 HEC O2A O -1.829 -7.553 -9.037 1.00 . C A . 70 HEC O2A 1 1 4 4813 3 2 1 HEC O2D O -5.838 -3.562 -11.044 1.00 . C A . 70 HEC O2D 1 1 4 4814 4 2 1 HEC C1A C 2.873 -5.761 9.466 1.00 . D A . 71 HEC C1A 1 1 4 4815 4 2 1 HEC C1B C 0.287 -9.155 9.724 1.00 . D A . 71 HEC C1B 1 1 4 4816 4 2 1 HEC C1C C -1.380 -8.115 5.961 1.00 . D A . 71 HEC C1C 1 1 4 4817 4 2 1 HEC C1D C 1.138 -4.709 5.705 1.00 . D A . 71 HEC C1D 1 1 4 4818 4 2 1 HEC C2A C 3.617 -6.047 10.671 1.00 . D A . 71 HEC C2A 1 1 4 4819 4 2 1 HEC C2B C -0.480 -10.373 9.899 1.00 . D A . 71 HEC C2B 1 1 4 4820 4 2 1 HEC C2C C -2.039 -7.977 4.694 1.00 . D A . 71 HEC C2C 1 1 4 4821 4 2 1 HEC C2D C 1.949 -3.535 5.477 1.00 . D A . 71 HEC C2D 1 1 4 4822 4 2 1 HEC C3A C 2.976 -7.083 11.298 1.00 . D A . 71 HEC C3A 1 1 4 4823 4 2 1 HEC C3B C -1.367 -10.434 8.849 1.00 . D A . 71 HEC C3B 1 1 4 4824 4 2 1 HEC C3C C -1.596 -6.786 4.154 1.00 . D A . 71 HEC C3C 1 1 4 4825 4 2 1 HEC C3D C 2.805 -3.418 6.547 1.00 . D A . 71 HEC C3D 1 1 4 4826 4 2 1 HEC C4A C 1.978 -7.581 10.379 1.00 . D A . 71 HEC C4A 1 1 4 4827 4 2 1 HEC C4B C -1.037 -9.340 7.976 1.00 . D A . 71 HEC C4B 1 1 4 4828 4 2 1 HEC C4C C -0.569 -6.286 5.057 1.00 . D A . 71 HEC C4C 1 1 4 4829 4 2 1 HEC C4D C 2.503 -4.507 7.443 1.00 . D A . 71 HEC C4D 1 1 4 4830 4 2 1 HEC CAA C 4.981 -5.518 11.063 1.00 . D A . 71 HEC CAA 1 1 4 4831 4 2 1 HEC CAB C -2.499 -11.411 8.585 1.00 . D A . 71 HEC CAB 1 1 4 4832 4 2 1 HEC CAC C -2.101 -6.056 2.915 1.00 . D A . 71 HEC CAC 1 1 4 4833 4 2 1 HEC CAD C 3.796 -2.308 6.824 1.00 . D A . 71 HEC CAD 1 1 4 4834 4 2 1 HEC CBA C 6.099 -6.451 10.577 1.00 . D A . 71 HEC CBA 1 1 4 4835 4 2 1 HEC CBB C -3.056 -12.158 9.800 1.00 . D A . 71 HEC CBB 1 1 4 4836 4 2 1 HEC CBC C -3.622 -6.016 2.761 1.00 . D A . 71 HEC CBC 1 1 4 4837 4 2 1 HEC CBD C 5.262 -2.756 6.989 1.00 . D A . 71 HEC CBD 1 1 4 4838 4 2 1 HEC CGA C 7.504 -6.040 11.026 1.00 . D A . 71 HEC CGA 1 1 4 4839 4 2 1 HEC CGD C 5.952 -2.129 8.217 1.00 . D A . 71 HEC CGD 1 1 4 4840 4 2 1 HEC CHA C 3.162 -4.721 8.626 1.00 . D A . 71 HEC CHA 1 1 4 4841 4 2 1 HEC CHB C 1.238 -8.717 10.614 1.00 . D A . 71 HEC CHB 1 1 4 4842 4 2 1 HEC CHC C -1.656 -9.155 6.779 1.00 . D A . 71 HEC CHC 1 1 4 4843 4 2 1 HEC CHD C 0.176 -5.149 4.824 1.00 . D A . 71 HEC CHD 1 1 4 4844 4 2 1 HEC CMA C 3.299 -7.588 12.686 1.00 . D A . 71 HEC CMA 1 1 4 4845 4 2 1 HEC CMB C -0.268 -11.426 10.965 1.00 . D A . 71 HEC CMB 1 1 4 4846 4 2 1 HEC CMC C -2.990 -9.030 4.144 1.00 . D A . 71 HEC CMC 1 1 4 4847 4 2 1 HEC CMD C 1.876 -2.627 4.272 1.00 . D A . 71 HEC CMD 1 1 4 4848 4 2 1 HEC FE FE 0.707 -6.915 7.739 1.00 . D A . 71 HEC FE 1 1 4 4849 4 2 1 HEC HAA1 H 5.161 -4.521 10.662 1.00 . D A . 71 HEC HAA1 1 1 4 4850 4 2 1 HEC HAA2 H 5.038 -5.471 12.146 1.00 . D A . 71 HEC HAA2 1 1 4 4851 4 2 1 HEC HAB H -3.339 -10.832 8.193 1.00 . D A . 71 HEC HAB 1 1 4 4852 4 2 1 HEC HAC H -1.818 -5.009 3.000 1.00 . D A . 71 HEC HAC 1 1 4 4853 4 2 1 HEC HAD1 H 3.753 -1.523 6.074 1.00 . D A . 71 HEC HAD1 1 1 4 4854 4 2 1 HEC HAD2 H 3.464 -1.875 7.759 1.00 . D A . 71 HEC HAD2 1 1 4 4855 4 2 1 HEC HBA1 H 5.905 -7.439 10.995 1.00 . D A . 71 HEC HBA1 1 1 4 4856 4 2 1 HEC HBA2 H 6.064 -6.507 9.488 1.00 . D A . 71 HEC HBA2 1 1 4 4857 4 2 1 HEC HBB1 H -3.170 -11.469 10.637 1.00 . D A . 71 HEC HBB1 1 1 4 4858 4 2 1 HEC HBB2 H -4.040 -12.559 9.562 1.00 . D A . 71 HEC HBB2 1 1 4 4859 4 2 1 HEC HBB3 H -2.410 -12.988 10.077 1.00 . D A . 71 HEC HBB3 1 1 4 4860 4 2 1 HEC HBC1 H -4.085 -5.816 3.725 1.00 . D A . 71 HEC HBC1 1 1 4 4861 4 2 1 HEC HBC2 H -3.873 -5.215 2.066 1.00 . D A . 71 HEC HBC2 1 1 4 4862 4 2 1 HEC HBC3 H -4.008 -6.950 2.357 1.00 . D A . 71 HEC HBC3 1 1 4 4863 4 2 1 HEC HBD1 H 5.300 -3.840 7.097 1.00 . D A . 71 HEC HBD1 1 1 4 4864 4 2 1 HEC HBD2 H 5.799 -2.495 6.076 1.00 . D A . 71 HEC HBD2 1 1 4 4865 4 2 1 HEC HHA H 3.929 -4.027 8.915 1.00 . D A . 71 HEC HHA 1 1 4 4866 4 2 1 HEC HHB H 1.403 -9.271 11.515 1.00 . D A . 71 HEC HHB 1 1 4 4867 4 2 1 HEC HHC H -2.365 -9.876 6.439 1.00 . D A . 71 HEC HHC 1 1 4 4868 4 2 1 HEC HHD H 0.030 -4.609 3.907 1.00 . D A . 71 HEC HHD 1 1 4 4869 4 2 1 HEC HMA1 H 2.497 -8.203 13.088 1.00 . D A . 71 HEC HMA1 1 1 4 4870 4 2 1 HEC HMA2 H 4.234 -8.143 12.670 1.00 . D A . 71 HEC HMA2 1 1 4 4871 4 2 1 HEC HMA3 H 3.414 -6.730 13.347 1.00 . D A . 71 HEC HMA3 1 1 4 4872 4 2 1 HEC HMB1 H -0.338 -12.409 10.504 1.00 . D A . 71 HEC HMB1 1 1 4 4873 4 2 1 HEC HMB2 H 0.723 -11.349 11.403 1.00 . D A . 71 HEC HMB2 1 1 4 4874 4 2 1 HEC HMB3 H -1.019 -11.321 11.746 1.00 . D A . 71 HEC HMB3 1 1 4 4875 4 2 1 HEC HMC1 H -2.551 -10.030 4.252 1.00 . D A . 71 HEC HMC1 1 1 4 4876 4 2 1 HEC HMC2 H -3.914 -9.038 4.726 1.00 . D A . 71 HEC HMC2 1 1 4 4877 4 2 1 HEC HMC3 H -3.207 -8.857 3.098 1.00 . D A . 71 HEC HMC3 1 1 4 4878 4 2 1 HEC HMD1 H 1.084 -1.894 4.380 1.00 . D A . 71 HEC HMD1 1 1 4 4879 4 2 1 HEC HMD2 H 2.822 -2.108 4.137 1.00 . D A . 71 HEC HMD2 1 1 4 4880 4 2 1 HEC HMD3 H 1.658 -3.217 3.390 1.00 . D A . 71 HEC HMD3 1 1 4 4881 4 2 1 HEC NA N 1.936 -6.743 9.310 1.00 . D A . 71 HEC NA 1 1 4 4882 4 2 1 HEC NB N -0.073 -8.591 8.544 1.00 . D A . 71 HEC NB 1 1 4 4883 4 2 1 HEC NC N -0.507 -7.117 6.136 1.00 . D A . 71 HEC NC 1 1 4 4884 4 2 1 HEC ND N 1.514 -5.255 6.894 1.00 . D A . 71 HEC ND 1 1 4 4885 4 2 1 HEC O1A O 7.584 -5.290 12.029 1.00 . D A . 71 HEC O1A 1 1 4 4886 4 2 1 HEC O1D O 7.031 -1.530 8.054 1.00 . D A . 71 HEC O1D 1 1 4 4887 4 2 1 HEC O2A O 8.473 -6.524 10.395 1.00 . D A . 71 HEC O2A 1 1 4 4888 4 2 1 HEC O2D O 5.368 -2.232 9.323 1.00 . D A . 71 HEC O2D 1 1 5 4889 1 1 1 ALA C C 9.512 2.830 -8.384 1.00 . A A . 1 ALA C 1 1 5 4890 1 1 1 ALA CA C 10.885 3.116 -7.777 1.00 . A A . 1 ALA CA 1 1 5 4891 1 1 1 ALA CB C 11.672 1.840 -7.459 1.00 . A A . 1 ALA CB 1 1 5 4892 1 1 1 ALA H1 H 10.300 3.341 -5.827 1.00 . A A . 1 ALA H1 1 1 5 4893 1 1 1 ALA H2 H 11.535 4.363 -6.245 1.00 . A A . 1 ALA H2 1 1 5 4894 1 1 1 ALA H3 H 9.979 4.619 -6.784 1.00 . A A . 1 ALA H3 1 1 5 4895 1 1 1 ALA HA H 11.451 3.706 -8.498 1.00 . A A . 1 ALA HA 1 1 5 4896 1 1 1 ALA HB1 H 11.864 1.268 -8.368 1.00 . A A . 1 ALA HB1 1 1 5 4897 1 1 1 ALA HB2 H 12.630 2.098 -7.006 1.00 . A A . 1 ALA HB2 1 1 5 4898 1 1 1 ALA HB3 H 11.106 1.222 -6.763 1.00 . A A . 1 ALA HB3 1 1 5 4899 1 1 1 ALA N N 10.682 3.925 -6.558 1.00 . A A . 1 ALA N 1 1 5 4900 1 1 1 ALA O O 8.566 3.514 -8.005 1.00 . A A . 1 ALA O 1 1 5 4901 1 1 2 ASP C C 7.630 0.228 -8.834 1.00 . A A . 2 ASP C 1 1 5 4902 1 1 2 ASP CA C 8.158 1.296 -9.788 1.00 . A A . 2 ASP CA 1 1 5 4903 1 1 2 ASP CB C 8.423 0.694 -11.179 1.00 . A A . 2 ASP CB 1 1 5 4904 1 1 2 ASP CG C 9.520 -0.369 -11.194 1.00 . A A . 2 ASP CG 1 1 5 4905 1 1 2 ASP H H 10.170 1.306 -9.622 1.00 . A A . 2 ASP H 1 1 5 4906 1 1 2 ASP HA H 7.419 2.090 -9.823 1.00 . A A . 2 ASP HA 1 1 5 4907 1 1 2 ASP HB2 H 7.523 0.199 -11.529 1.00 . A A . 2 ASP HB2 1 1 5 4908 1 1 2 ASP HB3 H 8.696 1.483 -11.878 1.00 . A A . 2 ASP HB3 1 1 5 4909 1 1 2 ASP N N 9.390 1.864 -9.294 1.00 . A A . 2 ASP N 1 1 5 4910 1 1 2 ASP O O 6.418 0.144 -8.650 1.00 . A A . 2 ASP O 1 1 5 4911 1 1 2 ASP OD1 O 10.345 -0.349 -10.248 1.00 . A A . 2 ASP OD1 1 1 5 4912 1 1 2 ASP OD2 O 9.515 -1.158 -12.159 1.00 . A A . 2 ASP OD2 1 1 5 4913 1 1 3 VAL C C 9.035 -1.090 -5.874 1.00 . A A . 3 VAL C 1 1 5 4914 1 1 3 VAL CA C 8.198 -1.439 -7.107 1.00 . A A . 3 VAL CA 1 1 5 4915 1 1 3 VAL CB C 8.306 -2.919 -7.531 1.00 . A A . 3 VAL CB 1 1 5 4916 1 1 3 VAL CG1 C 9.562 -3.231 -8.354 1.00 . A A . 3 VAL CG1 1 1 5 4917 1 1 3 VAL CG2 C 8.254 -3.868 -6.324 1.00 . A A . 3 VAL CG2 1 1 5 4918 1 1 3 VAL H H 9.474 -0.529 -8.584 1.00 . A A . 3 VAL H 1 1 5 4919 1 1 3 VAL HA H 7.171 -1.272 -6.828 1.00 . A A . 3 VAL HA 1 1 5 4920 1 1 3 VAL HB H 7.442 -3.139 -8.161 1.00 . A A . 3 VAL HB 1 1 5 4921 1 1 3 VAL HG11 H 10.460 -2.935 -7.813 1.00 . A A . 3 VAL HG11 1 1 5 4922 1 1 3 VAL HG12 H 9.607 -4.302 -8.557 1.00 . A A . 3 VAL HG12 1 1 5 4923 1 1 3 VAL HG13 H 9.528 -2.710 -9.311 1.00 . A A . 3 VAL HG13 1 1 5 4924 1 1 3 VAL HG21 H 9.183 -3.815 -5.755 1.00 . A A . 3 VAL HG21 1 1 5 4925 1 1 3 VAL HG22 H 7.424 -3.616 -5.667 1.00 . A A . 3 VAL HG22 1 1 5 4926 1 1 3 VAL HG23 H 8.119 -4.892 -6.674 1.00 . A A . 3 VAL HG23 1 1 5 4927 1 1 3 VAL N N 8.521 -0.548 -8.216 1.00 . A A . 3 VAL N 1 1 5 4928 1 1 3 VAL O O 10.258 -1.022 -5.981 1.00 . A A . 3 VAL O 1 1 5 4929 1 1 4 VAL C C 8.536 -2.084 -2.649 1.00 . A A . 4 VAL C 1 1 5 4930 1 1 4 VAL CA C 9.111 -0.918 -3.435 1.00 . A A . 4 VAL CA 1 1 5 4931 1 1 4 VAL CB C 8.920 0.393 -2.661 1.00 . A A . 4 VAL CB 1 1 5 4932 1 1 4 VAL CG1 C 9.595 0.322 -1.279 1.00 . A A . 4 VAL CG1 1 1 5 4933 1 1 4 VAL CG2 C 9.514 1.569 -3.436 1.00 . A A . 4 VAL CG2 1 1 5 4934 1 1 4 VAL H H 7.385 -0.890 -4.609 1.00 . A A . 4 VAL H 1 1 5 4935 1 1 4 VAL HA H 10.179 -1.085 -3.567 1.00 . A A . 4 VAL HA 1 1 5 4936 1 1 4 VAL HB H 7.851 0.570 -2.545 1.00 . A A . 4 VAL HB 1 1 5 4937 1 1 4 VAL HG11 H 9.105 -0.407 -0.631 1.00 . A A . 4 VAL HG11 1 1 5 4938 1 1 4 VAL HG12 H 10.641 0.037 -1.388 1.00 . A A . 4 VAL HG12 1 1 5 4939 1 1 4 VAL HG13 H 9.548 1.295 -0.790 1.00 . A A . 4 VAL HG13 1 1 5 4940 1 1 4 VAL HG21 H 9.004 1.680 -4.392 1.00 . A A . 4 VAL HG21 1 1 5 4941 1 1 4 VAL HG22 H 9.382 2.482 -2.856 1.00 . A A . 4 VAL HG22 1 1 5 4942 1 1 4 VAL HG23 H 10.577 1.393 -3.603 1.00 . A A . 4 VAL HG23 1 1 5 4943 1 1 4 VAL N N 8.407 -0.882 -4.705 1.00 . A A . 4 VAL N 1 1 5 4944 1 1 4 VAL O O 7.373 -2.453 -2.829 1.00 . A A . 4 VAL O 1 1 5 4945 1 1 5 THR C C 9.350 -2.889 0.687 1.00 . A A . 5 THR C 1 1 5 4946 1 1 5 THR CA C 8.846 -3.415 -0.651 1.00 . A A . 5 THR CA 1 1 5 4947 1 1 5 THR CB C 9.185 -4.900 -0.857 1.00 . A A . 5 THR CB 1 1 5 4948 1 1 5 THR CG2 C 10.681 -5.179 -1.034 1.00 . A A . 5 THR CG2 1 1 5 4949 1 1 5 THR H H 10.292 -2.271 -1.631 1.00 . A A . 5 THR H 1 1 5 4950 1 1 5 THR HA H 7.770 -3.257 -0.633 1.00 . A A . 5 THR HA 1 1 5 4951 1 1 5 THR HB H 8.657 -5.256 -1.741 1.00 . A A . 5 THR HB 1 1 5 4952 1 1 5 THR HG1 H 7.994 -5.070 0.604 1.00 . A A . 5 THR HG1 1 1 5 4953 1 1 5 THR HG21 H 11.240 -4.840 -0.162 1.00 . A A . 5 THR HG21 1 1 5 4954 1 1 5 THR HG22 H 10.836 -6.253 -1.148 1.00 . A A . 5 THR HG22 1 1 5 4955 1 1 5 THR HG23 H 11.060 -4.675 -1.923 1.00 . A A . 5 THR HG23 1 1 5 4956 1 1 5 THR N N 9.352 -2.624 -1.741 1.00 . A A . 5 THR N 1 1 5 4957 1 1 5 THR O O 10.503 -2.481 0.811 1.00 . A A . 5 THR O 1 1 5 4958 1 1 5 THR OG1 O 8.720 -5.607 0.266 1.00 . A A . 5 THR OG1 1 1 5 4959 1 1 6 TYR C C 9.276 -4.334 3.476 1.00 . A A . 6 TYR C 1 1 5 4960 1 1 6 TYR CA C 8.871 -2.915 3.085 1.00 . A A . 6 TYR CA 1 1 5 4961 1 1 6 TYR CB C 7.722 -2.418 3.973 1.00 . A A . 6 TYR CB 1 1 5 4962 1 1 6 TYR CD1 C 8.273 0.044 3.898 1.00 . A A . 6 TYR CD1 1 1 5 4963 1 1 6 TYR CD2 C 6.050 -0.669 3.209 1.00 . A A . 6 TYR CD2 1 1 5 4964 1 1 6 TYR CE1 C 7.965 1.363 3.532 1.00 . A A . 6 TYR CE1 1 1 5 4965 1 1 6 TYR CE2 C 5.745 0.652 2.839 1.00 . A A . 6 TYR CE2 1 1 5 4966 1 1 6 TYR CG C 7.324 -0.979 3.722 1.00 . A A . 6 TYR CG 1 1 5 4967 1 1 6 TYR CZ C 6.682 1.676 3.060 1.00 . A A . 6 TYR CZ 1 1 5 4968 1 1 6 TYR H H 7.526 -3.232 1.466 1.00 . A A . 6 TYR H 1 1 5 4969 1 1 6 TYR HA H 9.726 -2.253 3.219 1.00 . A A . 6 TYR HA 1 1 5 4970 1 1 6 TYR HB2 H 6.855 -3.066 3.839 1.00 . A A . 6 TYR HB2 1 1 5 4971 1 1 6 TYR HB3 H 8.035 -2.501 5.014 1.00 . A A . 6 TYR HB3 1 1 5 4972 1 1 6 TYR HD1 H 9.258 -0.185 4.278 1.00 . A A . 6 TYR HD1 1 1 5 4973 1 1 6 TYR HD2 H 5.346 -1.458 2.988 1.00 . A A . 6 TYR HD2 1 1 5 4974 1 1 6 TYR HE1 H 8.731 2.121 3.588 1.00 . A A . 6 TYR HE1 1 1 5 4975 1 1 6 TYR HE2 H 4.879 0.842 2.222 1.00 . A A . 6 TYR HE2 1 1 5 4976 1 1 6 TYR HH H 7.203 3.479 2.628 1.00 . A A . 6 TYR HH 1 1 5 4977 1 1 6 TYR N N 8.468 -2.934 1.689 1.00 . A A . 6 TYR N 1 1 5 4978 1 1 6 TYR O O 8.415 -5.203 3.636 1.00 . A A . 6 TYR O 1 1 5 4979 1 1 6 TYR OH O 6.397 2.961 2.700 1.00 . A A . 6 TYR OH 1 1 5 4980 1 1 7 GLU C C 10.860 -6.130 5.562 1.00 . A A . 7 GLU C 1 1 5 4981 1 1 7 GLU CA C 11.077 -5.886 4.064 1.00 . A A . 7 GLU CA 1 1 5 4982 1 1 7 GLU CB C 12.546 -6.033 3.733 1.00 . A A . 7 GLU CB 1 1 5 4983 1 1 7 GLU CD C 14.311 -6.244 1.962 1.00 . A A . 7 GLU CD 1 1 5 4984 1 1 7 GLU CG C 12.861 -5.872 2.242 1.00 . A A . 7 GLU CG 1 1 5 4985 1 1 7 GLU H H 11.250 -3.873 3.399 1.00 . A A . 7 GLU H 1 1 5 4986 1 1 7 GLU HA H 10.555 -6.645 3.492 1.00 . A A . 7 GLU HA 1 1 5 4987 1 1 7 GLU HB2 H 13.085 -5.306 4.328 1.00 . A A . 7 GLU HB2 1 1 5 4988 1 1 7 GLU HB3 H 12.817 -7.034 4.061 1.00 . A A . 7 GLU HB3 1 1 5 4989 1 1 7 GLU HG2 H 12.226 -6.538 1.658 1.00 . A A . 7 GLU HG2 1 1 5 4990 1 1 7 GLU HG3 H 12.690 -4.843 1.927 1.00 . A A . 7 GLU HG3 1 1 5 4991 1 1 7 GLU N N 10.577 -4.587 3.639 1.00 . A A . 7 GLU N 1 1 5 4992 1 1 7 GLU O O 11.790 -6.274 6.350 1.00 . A A . 7 GLU O 1 1 5 4993 1 1 7 GLU OE1 O 14.668 -7.398 2.288 1.00 . A A . 7 GLU OE1 1 1 5 4994 1 1 7 GLU OE2 O 15.035 -5.368 1.446 1.00 . A A . 7 GLU OE2 1 1 5 4995 1 1 8 ASN C C 9.307 -7.984 7.572 1.00 . A A . 8 ASN C 1 1 5 4996 1 1 8 ASN CA C 9.128 -6.499 7.278 1.00 . A A . 8 ASN CA 1 1 5 4997 1 1 8 ASN CB C 7.676 -6.033 7.460 1.00 . A A . 8 ASN CB 1 1 5 4998 1 1 8 ASN CG C 6.619 -7.065 7.086 1.00 . A A . 8 ASN CG 1 1 5 4999 1 1 8 ASN H H 8.952 -6.094 5.171 1.00 . A A . 8 ASN H 1 1 5 5000 1 1 8 ASN HA H 9.746 -5.925 7.973 1.00 . A A . 8 ASN HA 1 1 5 5001 1 1 8 ASN HB2 H 7.513 -5.752 8.499 1.00 . A A . 8 ASN HB2 1 1 5 5002 1 1 8 ASN HB3 H 7.517 -5.160 6.831 1.00 . A A . 8 ASN HB3 1 1 5 5003 1 1 8 ASN HD21 H 7.805 -7.821 5.660 1.00 . A A . 8 ASN HD21 1 1 5 5004 1 1 8 ASN HD22 H 6.179 -8.455 5.662 1.00 . A A . 8 ASN HD22 1 1 5 5005 1 1 8 ASN N N 9.593 -6.212 5.932 1.00 . A A . 8 ASN N 1 1 5 5006 1 1 8 ASN ND2 N 6.885 -7.860 6.063 1.00 . A A . 8 ASN ND2 1 1 5 5007 1 1 8 ASN O O 9.496 -8.791 6.650 1.00 . A A . 8 ASN O 1 1 5 5008 1 1 8 ASN OD1 O 5.563 -7.151 7.692 1.00 . A A . 8 ASN OD1 1 1 5 5009 1 1 9 LYS C C 8.758 -10.758 8.885 1.00 . A A . 9 LYS C 1 1 5 5010 1 1 9 LYS CA C 9.648 -9.618 9.360 1.00 . A A . 9 LYS CA 1 1 5 5011 1 1 9 LYS CB C 9.673 -9.543 10.893 1.00 . A A . 9 LYS CB 1 1 5 5012 1 1 9 LYS CD C 11.653 -11.016 11.618 1.00 . A A . 9 LYS CD 1 1 5 5013 1 1 9 LYS CE C 12.297 -11.551 10.328 1.00 . A A . 9 LYS CE 1 1 5 5014 1 1 9 LYS CG C 10.133 -10.808 11.629 1.00 . A A . 9 LYS CG 1 1 5 5015 1 1 9 LYS H H 8.886 -7.653 9.541 1.00 . A A . 9 LYS H 1 1 5 5016 1 1 9 LYS HA H 10.638 -9.733 8.932 1.00 . A A . 9 LYS HA 1 1 5 5017 1 1 9 LYS HB2 H 10.290 -8.697 11.204 1.00 . A A . 9 LYS HB2 1 1 5 5018 1 1 9 LYS HB3 H 8.654 -9.347 11.227 1.00 . A A . 9 LYS HB3 1 1 5 5019 1 1 9 LYS HD2 H 12.109 -10.054 11.856 1.00 . A A . 9 LYS HD2 1 1 5 5020 1 1 9 LYS HD3 H 11.884 -11.705 12.430 1.00 . A A . 9 LYS HD3 1 1 5 5021 1 1 9 LYS HE2 H 12.367 -10.759 9.584 1.00 . A A . 9 LYS HE2 1 1 5 5022 1 1 9 LYS HE3 H 13.319 -11.852 10.567 1.00 . A A . 9 LYS HE3 1 1 5 5023 1 1 9 LYS HG2 H 9.859 -10.643 12.674 1.00 . A A . 9 LYS HG2 1 1 5 5024 1 1 9 LYS HG3 H 9.585 -11.691 11.304 1.00 . A A . 9 LYS HG3 1 1 5 5025 1 1 9 LYS HZ1 H 10.667 -12.434 9.420 1.00 . A A . 9 LYS HZ1 1 1 5 5026 1 1 9 LYS HZ2 H 12.101 -13.083 8.976 1.00 . A A . 9 LYS HZ2 1 1 5 5027 1 1 9 LYS HZ3 H 11.472 -13.438 10.457 1.00 . A A . 9 LYS HZ3 1 1 5 5028 1 1 9 LYS N N 9.209 -8.340 8.850 1.00 . A A . 9 LYS N 1 1 5 5029 1 1 9 LYS NZ N 11.584 -12.714 9.761 1.00 . A A . 9 LYS NZ 1 1 5 5030 1 1 9 LYS O O 9.258 -11.864 8.674 1.00 . A A . 9 LYS O 1 1 5 5031 1 1 10 LYS C C 6.958 -12.227 7.104 1.00 . A A . 10 LYS C 1 1 5 5032 1 1 10 LYS CA C 6.439 -11.432 8.292 1.00 . A A . 10 LYS CA 1 1 5 5033 1 1 10 LYS CB C 5.195 -10.663 7.820 1.00 . A A . 10 LYS CB 1 1 5 5034 1 1 10 LYS CD C 3.193 -10.961 9.396 1.00 . A A . 10 LYS CD 1 1 5 5035 1 1 10 LYS CE C 3.503 -12.411 9.813 1.00 . A A . 10 LYS CE 1 1 5 5036 1 1 10 LYS CG C 4.391 -10.089 8.977 1.00 . A A . 10 LYS CG 1 1 5 5037 1 1 10 LYS H H 7.185 -9.564 9.068 1.00 . A A . 10 LYS H 1 1 5 5038 1 1 10 LYS HA H 6.197 -12.125 9.095 1.00 . A A . 10 LYS HA 1 1 5 5039 1 1 10 LYS HB2 H 5.522 -9.830 7.203 1.00 . A A . 10 LYS HB2 1 1 5 5040 1 1 10 LYS HB3 H 4.550 -11.281 7.195 1.00 . A A . 10 LYS HB3 1 1 5 5041 1 1 10 LYS HD2 H 2.762 -10.474 10.268 1.00 . A A . 10 LYS HD2 1 1 5 5042 1 1 10 LYS HD3 H 2.437 -10.933 8.607 1.00 . A A . 10 LYS HD3 1 1 5 5043 1 1 10 LYS HE2 H 4.382 -12.428 10.459 1.00 . A A . 10 LYS HE2 1 1 5 5044 1 1 10 LYS HE3 H 2.658 -12.770 10.404 1.00 . A A . 10 LYS HE3 1 1 5 5045 1 1 10 LYS HG2 H 5.061 -9.900 9.812 1.00 . A A . 10 LYS HG2 1 1 5 5046 1 1 10 LYS HG3 H 4.012 -9.117 8.644 1.00 . A A . 10 LYS HG3 1 1 5 5047 1 1 10 LYS HZ1 H 3.796 -14.284 9.008 1.00 . A A . 10 LYS HZ1 1 1 5 5048 1 1 10 LYS HZ2 H 2.852 -13.326 8.074 1.00 . A A . 10 LYS HZ2 1 1 5 5049 1 1 10 LYS HZ3 H 4.477 -13.099 8.113 1.00 . A A . 10 LYS HZ3 1 1 5 5050 1 1 10 LYS N N 7.452 -10.495 8.778 1.00 . A A . 10 LYS N 1 1 5 5051 1 1 10 LYS NZ N 3.669 -13.340 8.669 1.00 . A A . 10 LYS NZ 1 1 5 5052 1 1 10 LYS O O 6.910 -13.456 7.091 1.00 . A A . 10 LYS O 1 1 5 5053 1 1 11 GLY C C 7.691 -10.884 3.813 1.00 . A A . 11 GLY C 1 1 5 5054 1 1 11 GLY CA C 7.913 -11.971 4.847 1.00 . A A . 11 GLY CA 1 1 5 5055 1 1 11 GLY H H 7.289 -10.473 6.215 1.00 . A A . 11 GLY H 1 1 5 5056 1 1 11 GLY HA2 H 8.980 -12.161 4.945 1.00 . A A . 11 GLY HA2 1 1 5 5057 1 1 11 GLY HA3 H 7.415 -12.889 4.557 1.00 . A A . 11 GLY HA3 1 1 5 5058 1 1 11 GLY N N 7.393 -11.475 6.102 1.00 . A A . 11 GLY N 1 1 5 5059 1 1 11 GLY O O 7.098 -11.107 2.760 1.00 . A A . 11 GLY O 1 1 5 5060 1 1 12 ASN C C 6.726 -8.049 3.034 1.00 . A A . 12 ASN C 1 1 5 5061 1 1 12 ASN CA C 8.166 -8.506 3.327 1.00 . A A . 12 ASN CA 1 1 5 5062 1 1 12 ASN CB C 9.037 -8.739 2.082 1.00 . A A . 12 ASN CB 1 1 5 5063 1 1 12 ASN CG C 10.443 -9.269 2.398 1.00 . A A . 12 ASN CG 1 1 5 5064 1 1 12 ASN H H 8.650 -9.625 5.062 1.00 . A A . 12 ASN H 1 1 5 5065 1 1 12 ASN HA H 8.655 -7.703 3.872 1.00 . A A . 12 ASN HA 1 1 5 5066 1 1 12 ASN HB2 H 8.542 -9.440 1.408 1.00 . A A . 12 ASN HB2 1 1 5 5067 1 1 12 ASN HB3 H 9.160 -7.797 1.551 1.00 . A A . 12 ASN HB3 1 1 5 5068 1 1 12 ASN HD21 H 10.356 -8.850 4.423 1.00 . A A . 12 ASN HD21 1 1 5 5069 1 1 12 ASN HD22 H 11.859 -9.500 3.806 1.00 . A A . 12 ASN HD22 1 1 5 5070 1 1 12 ASN N N 8.171 -9.690 4.170 1.00 . A A . 12 ASN N 1 1 5 5071 1 1 12 ASN ND2 N 10.909 -9.201 3.651 1.00 . A A . 12 ASN ND2 1 1 5 5072 1 1 12 ASN O O 5.769 -8.602 3.594 1.00 . A A . 12 ASN O 1 1 5 5073 1 1 12 ASN OD1 O 11.115 -9.772 1.507 1.00 . A A . 12 ASN OD1 1 1 5 5074 1 1 13 VAL C C 5.669 -5.696 0.412 1.00 . A A . 13 VAL C 1 1 5 5075 1 1 13 VAL CA C 5.349 -6.461 1.688 1.00 . A A . 13 VAL CA 1 1 5 5076 1 1 13 VAL CB C 4.679 -5.469 2.661 1.00 . A A . 13 VAL CB 1 1 5 5077 1 1 13 VAL CG1 C 3.532 -4.738 1.945 1.00 . A A . 13 VAL CG1 1 1 5 5078 1 1 13 VAL CG2 C 4.116 -6.166 3.888 1.00 . A A . 13 VAL CG2 1 1 5 5079 1 1 13 VAL H H 7.450 -6.531 1.934 1.00 . A A . 13 VAL H 1 1 5 5080 1 1 13 VAL HA H 4.666 -7.279 1.468 1.00 . A A . 13 VAL HA 1 1 5 5081 1 1 13 VAL HB H 5.401 -4.726 3.001 1.00 . A A . 13 VAL HB 1 1 5 5082 1 1 13 VAL HG11 H 3.088 -5.399 1.204 1.00 . A A . 13 VAL HG11 1 1 5 5083 1 1 13 VAL HG12 H 2.756 -4.433 2.643 1.00 . A A . 13 VAL HG12 1 1 5 5084 1 1 13 VAL HG13 H 3.911 -3.849 1.441 1.00 . A A . 13 VAL HG13 1 1 5 5085 1 1 13 VAL HG21 H 3.463 -6.975 3.565 1.00 . A A . 13 VAL HG21 1 1 5 5086 1 1 13 VAL HG22 H 4.931 -6.524 4.512 1.00 . A A . 13 VAL HG22 1 1 5 5087 1 1 13 VAL HG23 H 3.546 -5.463 4.482 1.00 . A A . 13 VAL HG23 1 1 5 5088 1 1 13 VAL N N 6.597 -6.998 2.221 1.00 . A A . 13 VAL N 1 1 5 5089 1 1 13 VAL O O 6.257 -4.617 0.527 1.00 . A A . 13 VAL O 1 1 5 5090 1 1 14 THR C C 4.048 -4.363 -1.808 1.00 . A A . 14 THR C 1 1 5 5091 1 1 14 THR CA C 5.246 -5.297 -1.930 1.00 . A A . 14 THR CA 1 1 5 5092 1 1 14 THR CB C 5.245 -6.027 -3.286 1.00 . A A . 14 THR CB 1 1 5 5093 1 1 14 THR CG2 C 3.981 -6.850 -3.553 1.00 . A A . 14 THR CG2 1 1 5 5094 1 1 14 THR H H 4.712 -7.028 -0.791 1.00 . A A . 14 THR H 1 1 5 5095 1 1 14 THR HA H 6.159 -4.700 -1.920 1.00 . A A . 14 THR HA 1 1 5 5096 1 1 14 THR HB H 6.109 -6.692 -3.330 1.00 . A A . 14 THR HB 1 1 5 5097 1 1 14 THR HG1 H 4.890 -5.233 -5.100 1.00 . A A . 14 THR HG1 1 1 5 5098 1 1 14 THR HG21 H 3.117 -6.194 -3.655 1.00 . A A . 14 THR HG21 1 1 5 5099 1 1 14 THR HG22 H 4.102 -7.403 -4.485 1.00 . A A . 14 THR HG22 1 1 5 5100 1 1 14 THR HG23 H 3.805 -7.558 -2.743 1.00 . A A . 14 THR HG23 1 1 5 5101 1 1 14 THR N N 5.264 -6.181 -0.768 1.00 . A A . 14 THR N 1 1 5 5102 1 1 14 THR O O 2.969 -4.773 -1.376 1.00 . A A . 14 THR O 1 1 5 5103 1 1 14 THR OG1 O 5.394 -5.029 -4.285 1.00 . A A . 14 THR OG1 1 1 5 5104 1 1 15 PHE C C 3.287 -1.757 -3.991 1.00 . A A . 15 PHE C 1 1 5 5105 1 1 15 PHE CA C 3.155 -2.201 -2.542 1.00 . A A . 15 PHE CA 1 1 5 5106 1 1 15 PHE CB C 3.168 -0.996 -1.599 1.00 . A A . 15 PHE CB 1 1 5 5107 1 1 15 PHE CD1 C 5.418 -0.950 -0.459 1.00 . A A . 15 PHE CD1 1 1 5 5108 1 1 15 PHE CD2 C 4.696 1.008 -1.713 1.00 . A A . 15 PHE CD2 1 1 5 5109 1 1 15 PHE CE1 C 6.513 -0.227 0.031 1.00 . A A . 15 PHE CE1 1 1 5 5110 1 1 15 PHE CE2 C 5.730 1.759 -1.130 1.00 . A A . 15 PHE CE2 1 1 5 5111 1 1 15 PHE CG C 4.502 -0.334 -1.332 1.00 . A A . 15 PHE CG 1 1 5 5112 1 1 15 PHE CZ C 6.621 1.146 -0.236 1.00 . A A . 15 PHE CZ 1 1 5 5113 1 1 15 PHE H H 5.172 -2.846 -2.520 1.00 . A A . 15 PHE H 1 1 5 5114 1 1 15 PHE HA H 2.186 -2.694 -2.456 1.00 . A A . 15 PHE HA 1 1 5 5115 1 1 15 PHE HB2 H 2.484 -0.250 -1.996 1.00 . A A . 15 PHE HB2 1 1 5 5116 1 1 15 PHE HB3 H 2.792 -1.326 -0.642 1.00 . A A . 15 PHE HB3 1 1 5 5117 1 1 15 PHE HD1 H 5.259 -1.960 -0.112 1.00 . A A . 15 PHE HD1 1 1 5 5118 1 1 15 PHE HD2 H 4.013 1.486 -2.401 1.00 . A A . 15 PHE HD2 1 1 5 5119 1 1 15 PHE HE1 H 7.193 -0.686 0.731 1.00 . A A . 15 PHE HE1 1 1 5 5120 1 1 15 PHE HE2 H 5.818 2.815 -1.330 1.00 . A A . 15 PHE HE2 1 1 5 5121 1 1 15 PHE HZ H 7.383 1.724 0.259 1.00 . A A . 15 PHE HZ 1 1 5 5122 1 1 15 PHE N N 4.240 -3.111 -2.214 1.00 . A A . 15 PHE N 1 1 5 5123 1 1 15 PHE O O 2.684 -0.757 -4.384 1.00 . A A . 15 PHE O 1 1 5 5124 1 1 16 ASP C C 4.934 -0.527 -5.911 1.00 . A A . 16 ASP C 1 1 5 5125 1 1 16 ASP CA C 4.612 -2.021 -6.043 1.00 . A A . 16 ASP CA 1 1 5 5126 1 1 16 ASP CB C 3.676 -2.435 -7.186 1.00 . A A . 16 ASP CB 1 1 5 5127 1 1 16 ASP CG C 3.705 -3.942 -7.448 1.00 . A A . 16 ASP CG 1 1 5 5128 1 1 16 ASP H H 4.467 -3.365 -4.443 1.00 . A A . 16 ASP H 1 1 5 5129 1 1 16 ASP HA H 5.547 -2.547 -6.204 1.00 . A A . 16 ASP HA 1 1 5 5130 1 1 16 ASP HB2 H 2.655 -2.142 -6.949 1.00 . A A . 16 ASP HB2 1 1 5 5131 1 1 16 ASP HB3 H 4.003 -1.955 -8.108 1.00 . A A . 16 ASP HB3 1 1 5 5132 1 1 16 ASP N N 4.092 -2.480 -4.773 1.00 . A A . 16 ASP N 1 1 5 5133 1 1 16 ASP O O 5.731 -0.189 -5.037 1.00 . A A . 16 ASP O 1 1 5 5134 1 1 16 ASP OD1 O 4.065 -4.709 -6.521 1.00 . A A . 16 ASP OD1 1 1 5 5135 1 1 16 ASP OD2 O 3.371 -4.299 -8.597 1.00 . A A . 16 ASP OD2 1 1 5 5136 1 1 17 HIS C C 3.727 2.324 -7.940 1.00 . A A . 17 HIS C 1 1 5 5137 1 1 17 HIS CA C 4.310 1.796 -6.628 1.00 . A A . 17 HIS CA 1 1 5 5138 1 1 17 HIS CB C 5.718 2.383 -6.379 1.00 . A A . 17 HIS CB 1 1 5 5139 1 1 17 HIS CD2 C 5.092 4.600 -5.281 1.00 . A A . 17 HIS CD2 1 1 5 5140 1 1 17 HIS CE1 C 6.164 5.994 -6.593 1.00 . A A . 17 HIS CE1 1 1 5 5141 1 1 17 HIS CG C 5.721 3.877 -6.254 1.00 . A A . 17 HIS CG 1 1 5 5142 1 1 17 HIS H H 3.676 -0.080 -7.386 1.00 . A A . 17 HIS H 1 1 5 5143 1 1 17 HIS HA H 3.656 2.092 -5.808 1.00 . A A . 17 HIS HA 1 1 5 5144 1 1 17 HIS HB2 H 6.150 2.033 -5.450 1.00 . A A . 17 HIS HB2 1 1 5 5145 1 1 17 HIS HB3 H 6.405 2.109 -7.173 1.00 . A A . 17 HIS HB3 1 1 5 5146 1 1 17 HIS HD1 H 7.015 4.501 -7.825 1.00 . A A . 17 HIS HD1 1 1 5 5147 1 1 17 HIS HD2 H 4.482 4.211 -4.483 1.00 . A A . 17 HIS HD2 1 1 5 5148 1 1 17 HIS HE1 H 6.539 6.912 -7.016 1.00 . A A . 17 HIS HE1 1 1 5 5149 1 1 17 HIS N N 4.295 0.334 -6.707 1.00 . A A . 17 HIS N 1 1 5 5150 1 1 17 HIS ND1 N 6.397 4.758 -7.063 1.00 . A A . 17 HIS ND1 1 1 5 5151 1 1 17 HIS NE2 N 5.375 5.944 -5.513 1.00 . A A . 17 HIS NE2 1 1 5 5152 1 1 17 HIS O O 2.590 2.796 -7.992 1.00 . A A . 17 HIS O 1 1 5 5153 1 1 18 LYS C C 2.758 1.829 -10.678 1.00 . A A . 18 LYS C 1 1 5 5154 1 1 18 LYS CA C 4.114 2.461 -10.384 1.00 . A A . 18 LYS CA 1 1 5 5155 1 1 18 LYS CB C 5.211 1.966 -11.335 1.00 . A A . 18 LYS CB 1 1 5 5156 1 1 18 LYS CD C 5.868 1.598 -13.760 1.00 . A A . 18 LYS CD 1 1 5 5157 1 1 18 LYS CE C 5.255 1.308 -15.137 1.00 . A A . 18 LYS CE 1 1 5 5158 1 1 18 LYS CG C 4.727 1.828 -12.773 1.00 . A A . 18 LYS CG 1 1 5 5159 1 1 18 LYS H H 5.364 1.657 -8.875 1.00 . A A . 18 LYS H 1 1 5 5160 1 1 18 LYS HA H 4.034 3.540 -10.514 1.00 . A A . 18 LYS HA 1 1 5 5161 1 1 18 LYS HB2 H 6.029 2.685 -11.322 1.00 . A A . 18 LYS HB2 1 1 5 5162 1 1 18 LYS HB3 H 5.550 0.987 -11.006 1.00 . A A . 18 LYS HB3 1 1 5 5163 1 1 18 LYS HD2 H 6.496 2.492 -13.776 1.00 . A A . 18 LYS HD2 1 1 5 5164 1 1 18 LYS HD3 H 6.454 0.743 -13.425 1.00 . A A . 18 LYS HD3 1 1 5 5165 1 1 18 LYS HE2 H 4.599 0.437 -15.060 1.00 . A A . 18 LYS HE2 1 1 5 5166 1 1 18 LYS HE3 H 4.649 2.158 -15.456 1.00 . A A . 18 LYS HE3 1 1 5 5167 1 1 18 LYS HG2 H 4.067 0.965 -12.817 1.00 . A A . 18 LYS HG2 1 1 5 5168 1 1 18 LYS HG3 H 4.193 2.734 -13.048 1.00 . A A . 18 LYS HG3 1 1 5 5169 1 1 18 LYS HZ1 H 6.885 1.820 -16.279 1.00 . A A . 18 LYS HZ1 1 1 5 5170 1 1 18 LYS HZ2 H 6.831 0.220 -15.874 1.00 . A A . 18 LYS HZ2 1 1 5 5171 1 1 18 LYS HZ3 H 5.821 0.812 -17.032 1.00 . A A . 18 LYS HZ3 1 1 5 5172 1 1 18 LYS N N 4.499 2.162 -9.016 1.00 . A A . 18 LYS N 1 1 5 5173 1 1 18 LYS NZ N 6.281 1.020 -16.157 1.00 . A A . 18 LYS NZ 1 1 5 5174 1 1 18 LYS O O 1.857 2.516 -11.134 1.00 . A A . 18 LYS O 1 1 5 5175 1 1 19 ALA C C 0.166 0.579 -10.028 1.00 . A A . 19 ALA C 1 1 5 5176 1 1 19 ALA CA C 1.366 -0.205 -10.562 1.00 . A A . 19 ALA CA 1 1 5 5177 1 1 19 ALA CB C 1.483 -1.511 -9.787 1.00 . A A . 19 ALA CB 1 1 5 5178 1 1 19 ALA H H 3.423 0.034 -10.056 1.00 . A A . 19 ALA H 1 1 5 5179 1 1 19 ALA HA H 1.220 -0.431 -11.618 1.00 . A A . 19 ALA HA 1 1 5 5180 1 1 19 ALA HB1 H 0.560 -2.081 -9.885 1.00 . A A . 19 ALA HB1 1 1 5 5181 1 1 19 ALA HB2 H 2.323 -2.099 -10.154 1.00 . A A . 19 ALA HB2 1 1 5 5182 1 1 19 ALA HB3 H 1.639 -1.257 -8.739 1.00 . A A . 19 ALA HB3 1 1 5 5183 1 1 19 ALA N N 2.614 0.532 -10.395 1.00 . A A . 19 ALA N 1 1 5 5184 1 1 19 ALA O O -0.762 0.912 -10.764 1.00 . A A . 19 ALA O 1 1 5 5185 1 1 20 HIS C C -1.020 2.983 -8.832 1.00 . A A . 20 HIS C 1 1 5 5186 1 1 20 HIS CA C -0.861 1.655 -8.095 1.00 . A A . 20 HIS CA 1 1 5 5187 1 1 20 HIS CB C -0.516 1.881 -6.620 1.00 . A A . 20 HIS CB 1 1 5 5188 1 1 20 HIS CD2 C -1.933 0.350 -5.132 1.00 . A A . 20 HIS CD2 1 1 5 5189 1 1 20 HIS CE1 C -0.394 -1.008 -4.384 1.00 . A A . 20 HIS CE1 1 1 5 5190 1 1 20 HIS CG C -0.748 0.679 -5.739 1.00 . A A . 20 HIS CG 1 1 5 5191 1 1 20 HIS H H 1.014 0.672 -8.190 1.00 . A A . 20 HIS H 1 1 5 5192 1 1 20 HIS HA H -1.804 1.109 -8.162 1.00 . A A . 20 HIS HA 1 1 5 5193 1 1 20 HIS HB2 H 0.516 2.215 -6.518 1.00 . A A . 20 HIS HB2 1 1 5 5194 1 1 20 HIS HB3 H -1.156 2.679 -6.255 1.00 . A A . 20 HIS HB3 1 1 5 5195 1 1 20 HIS HD1 H 1.216 -0.164 -5.401 1.00 . A A . 20 HIS HD1 1 1 5 5196 1 1 20 HIS HD2 H -2.875 0.856 -5.251 1.00 . A A . 20 HIS HD2 1 1 5 5197 1 1 20 HIS HE1 H 0.101 -1.774 -3.813 1.00 . A A . 20 HIS HE1 1 1 5 5198 1 1 20 HIS N N 0.191 0.885 -8.729 1.00 . A A . 20 HIS N 1 1 5 5199 1 1 20 HIS ND1 N 0.212 -0.181 -5.251 1.00 . A A . 20 HIS ND1 1 1 5 5200 1 1 20 HIS NE2 N -1.695 -0.717 -4.265 1.00 . A A . 20 HIS NE2 1 1 5 5201 1 1 20 HIS O O -2.134 3.417 -9.104 1.00 . A A . 20 HIS O 1 1 5 5202 1 1 21 ALA C C -0.681 4.867 -11.155 1.00 . A A . 21 ALA C 1 1 5 5203 1 1 21 ALA CA C 0.086 4.918 -9.829 1.00 . A A . 21 ALA CA 1 1 5 5204 1 1 21 ALA CB C 1.511 5.451 -10.012 1.00 . A A . 21 ALA CB 1 1 5 5205 1 1 21 ALA H H 0.987 3.134 -8.995 1.00 . A A . 21 ALA H 1 1 5 5206 1 1 21 ALA HA H -0.437 5.618 -9.177 1.00 . A A . 21 ALA HA 1 1 5 5207 1 1 21 ALA HB1 H 1.457 6.497 -10.308 1.00 . A A . 21 ALA HB1 1 1 5 5208 1 1 21 ALA HB2 H 2.070 5.360 -9.080 1.00 . A A . 21 ALA HB2 1 1 5 5209 1 1 21 ALA HB3 H 2.040 4.904 -10.789 1.00 . A A . 21 ALA HB3 1 1 5 5210 1 1 21 ALA N N 0.103 3.617 -9.170 1.00 . A A . 21 ALA N 1 1 5 5211 1 1 21 ALA O O -1.581 5.658 -11.383 1.00 . A A . 21 ALA O 1 1 5 5212 1 1 22 GLU C C -2.395 3.398 -13.293 1.00 . A A . 22 GLU C 1 1 5 5213 1 1 22 GLU CA C -0.931 3.826 -13.366 1.00 . A A . 22 GLU CA 1 1 5 5214 1 1 22 GLU CB C -0.082 2.933 -14.287 1.00 . A A . 22 GLU CB 1 1 5 5215 1 1 22 GLU CD C 1.125 0.731 -14.672 1.00 . A A . 22 GLU CD 1 1 5 5216 1 1 22 GLU CG C 0.107 1.483 -13.823 1.00 . A A . 22 GLU CG 1 1 5 5217 1 1 22 GLU H H 0.297 3.240 -11.703 1.00 . A A . 22 GLU H 1 1 5 5218 1 1 22 GLU HA H -0.916 4.825 -13.806 1.00 . A A . 22 GLU HA 1 1 5 5219 1 1 22 GLU HB2 H -0.554 2.900 -15.268 1.00 . A A . 22 GLU HB2 1 1 5 5220 1 1 22 GLU HB3 H 0.902 3.390 -14.388 1.00 . A A . 22 GLU HB3 1 1 5 5221 1 1 22 GLU HG2 H 0.486 1.470 -12.812 1.00 . A A . 22 GLU HG2 1 1 5 5222 1 1 22 GLU HG3 H -0.844 0.956 -13.854 1.00 . A A . 22 GLU HG3 1 1 5 5223 1 1 22 GLU N N -0.355 3.927 -12.031 1.00 . A A . 22 GLU N 1 1 5 5224 1 1 22 GLU O O -3.224 3.900 -14.049 1.00 . A A . 22 GLU O 1 1 5 5225 1 1 22 GLU OE1 O 2.244 1.268 -14.846 1.00 . A A . 22 GLU OE1 1 1 5 5226 1 1 22 GLU OE2 O 0.774 -0.382 -15.117 1.00 . A A . 22 GLU OE2 1 1 5 5227 1 1 23 LYS C C -4.949 3.221 -11.652 1.00 . A A . 23 LYS C 1 1 5 5228 1 1 23 LYS CA C -4.099 2.062 -12.180 1.00 . A A . 23 LYS CA 1 1 5 5229 1 1 23 LYS CB C -4.144 0.891 -11.196 1.00 . A A . 23 LYS CB 1 1 5 5230 1 1 23 LYS CD C -4.167 -1.031 -12.893 1.00 . A A . 23 LYS CD 1 1 5 5231 1 1 23 LYS CE C -3.933 -2.551 -12.972 1.00 . A A . 23 LYS CE 1 1 5 5232 1 1 23 LYS CG C -3.438 -0.363 -11.718 1.00 . A A . 23 LYS CG 1 1 5 5233 1 1 23 LYS H H -1.987 2.073 -11.805 1.00 . A A . 23 LYS H 1 1 5 5234 1 1 23 LYS HA H -4.521 1.738 -13.134 1.00 . A A . 23 LYS HA 1 1 5 5235 1 1 23 LYS HB2 H -3.658 1.196 -10.268 1.00 . A A . 23 LYS HB2 1 1 5 5236 1 1 23 LYS HB3 H -5.183 0.649 -10.966 1.00 . A A . 23 LYS HB3 1 1 5 5237 1 1 23 LYS HD2 H -5.241 -0.860 -12.805 1.00 . A A . 23 LYS HD2 1 1 5 5238 1 1 23 LYS HD3 H -3.824 -0.556 -13.815 1.00 . A A . 23 LYS HD3 1 1 5 5239 1 1 23 LYS HE2 H -4.702 -3.054 -12.382 1.00 . A A . 23 LYS HE2 1 1 5 5240 1 1 23 LYS HE3 H -4.032 -2.872 -14.011 1.00 . A A . 23 LYS HE3 1 1 5 5241 1 1 23 LYS HG2 H -2.428 -0.117 -12.048 1.00 . A A . 23 LYS HG2 1 1 5 5242 1 1 23 LYS HG3 H -3.389 -1.021 -10.855 1.00 . A A . 23 LYS HG3 1 1 5 5243 1 1 23 LYS HZ1 H -2.677 -2.913 -11.413 1.00 . A A . 23 LYS HZ1 1 1 5 5244 1 1 23 LYS HZ2 H -2.461 -3.956 -12.628 1.00 . A A . 23 LYS HZ2 1 1 5 5245 1 1 23 LYS HZ3 H -1.862 -2.416 -12.777 1.00 . A A . 23 LYS HZ3 1 1 5 5246 1 1 23 LYS N N -2.721 2.477 -12.382 1.00 . A A . 23 LYS N 1 1 5 5247 1 1 23 LYS NZ N -2.624 -2.981 -12.433 1.00 . A A . 23 LYS NZ 1 1 5 5248 1 1 23 LYS O O -6.041 3.467 -12.156 1.00 . A A . 23 LYS O 1 1 5 5249 1 1 24 LEU C C -5.087 6.258 -10.471 1.00 . A A . 24 LEU C 1 1 5 5250 1 1 24 LEU CA C -5.247 4.869 -9.857 1.00 . A A . 24 LEU CA 1 1 5 5251 1 1 24 LEU CB C -4.809 4.883 -8.387 1.00 . A A . 24 LEU CB 1 1 5 5252 1 1 24 LEU CD1 C -4.167 3.536 -6.385 1.00 . A A . 24 LEU CD1 1 1 5 5253 1 1 24 LEU CD2 C -6.457 3.261 -7.354 1.00 . A A . 24 LEU CD2 1 1 5 5254 1 1 24 LEU CG C -4.983 3.529 -7.677 1.00 . A A . 24 LEU CG 1 1 5 5255 1 1 24 LEU H H -3.556 3.637 -10.236 1.00 . A A . 24 LEU H 1 1 5 5256 1 1 24 LEU HA H -6.305 4.608 -9.895 1.00 . A A . 24 LEU HA 1 1 5 5257 1 1 24 LEU HB2 H -3.764 5.185 -8.333 1.00 . A A . 24 LEU HB2 1 1 5 5258 1 1 24 LEU HB3 H -5.399 5.634 -7.864 1.00 . A A . 24 LEU HB3 1 1 5 5259 1 1 24 LEU HD11 H -3.113 3.655 -6.622 1.00 . A A . 24 LEU HD11 1 1 5 5260 1 1 24 LEU HD12 H -4.469 4.366 -5.756 1.00 . A A . 24 LEU HD12 1 1 5 5261 1 1 24 LEU HD13 H -4.310 2.602 -5.845 1.00 . A A . 24 LEU HD13 1 1 5 5262 1 1 24 LEU HD21 H -7.029 3.139 -8.273 1.00 . A A . 24 LEU HD21 1 1 5 5263 1 1 24 LEU HD22 H -6.536 2.347 -6.771 1.00 . A A . 24 LEU HD22 1 1 5 5264 1 1 24 LEU HD23 H -6.874 4.085 -6.775 1.00 . A A . 24 LEU HD23 1 1 5 5265 1 1 24 LEU HG H -4.607 2.715 -8.297 1.00 . A A . 24 LEU HG 1 1 5 5266 1 1 24 LEU N N -4.472 3.885 -10.597 1.00 . A A . 24 LEU N 1 1 5 5267 1 1 24 LEU O O -6.076 6.892 -10.828 1.00 . A A . 24 LEU O 1 1 5 5268 1 1 25 GLY C C -2.246 8.508 -10.344 1.00 . A A . 25 GLY C 1 1 5 5269 1 1 25 GLY CA C -3.526 8.070 -11.037 1.00 . A A . 25 GLY CA 1 1 5 5270 1 1 25 GLY H H -3.032 6.147 -10.392 1.00 . A A . 25 GLY H 1 1 5 5271 1 1 25 GLY HA2 H -3.354 8.034 -12.112 1.00 . A A . 25 GLY HA2 1 1 5 5272 1 1 25 GLY HA3 H -4.327 8.777 -10.819 1.00 . A A . 25 GLY HA3 1 1 5 5273 1 1 25 GLY N N -3.845 6.739 -10.569 1.00 . A A . 25 GLY N 1 1 5 5274 1 1 25 GLY O O -1.155 8.359 -10.893 1.00 . A A . 25 GLY O 1 1 5 5275 1 1 26 CYS C C -1.846 10.149 -7.027 1.00 . A A . 26 CYS C 1 1 5 5276 1 1 26 CYS CA C -1.277 9.567 -8.319 1.00 . A A . 26 CYS CA 1 1 5 5277 1 1 26 CYS CB C -0.518 10.651 -9.075 1.00 . A A . 26 CYS CB 1 1 5 5278 1 1 26 CYS H H -3.341 9.074 -8.752 1.00 . A A . 26 CYS H 1 1 5 5279 1 1 26 CYS HA H -0.626 8.737 -8.060 1.00 . A A . 26 CYS HA 1 1 5 5280 1 1 26 CYS HB2 H -0.412 10.453 -10.136 1.00 . A A . 26 CYS HB2 1 1 5 5281 1 1 26 CYS HB3 H -1.032 11.609 -8.988 1.00 . A A . 26 CYS HB3 1 1 5 5282 1 1 26 CYS N N -2.384 9.034 -9.125 1.00 . A A . 26 CYS N 1 1 5 5283 1 1 26 CYS O O -1.470 9.768 -5.913 1.00 . A A . 26 CYS O 1 1 5 5284 1 1 26 CYS SG S 1.153 10.848 -8.415 1.00 . A A . 26 CYS SG 1 1 5 5285 1 1 27 ASP C C -4.111 10.732 -5.190 1.00 . A A . 27 ASP C 1 1 5 5286 1 1 27 ASP CA C -3.791 11.636 -6.369 1.00 . A A . 27 ASP CA 1 1 5 5287 1 1 27 ASP CB C -5.064 11.907 -7.194 1.00 . A A . 27 ASP CB 1 1 5 5288 1 1 27 ASP CG C -5.661 10.667 -7.877 1.00 . A A . 27 ASP CG 1 1 5 5289 1 1 27 ASP H H -3.195 10.912 -8.199 1.00 . A A . 27 ASP H 1 1 5 5290 1 1 27 ASP HA H -3.400 12.584 -6.002 1.00 . A A . 27 ASP HA 1 1 5 5291 1 1 27 ASP HB2 H -5.812 12.335 -6.525 1.00 . A A . 27 ASP HB2 1 1 5 5292 1 1 27 ASP HB3 H -4.840 12.644 -7.964 1.00 . A A . 27 ASP HB3 1 1 5 5293 1 1 27 ASP N N -2.828 11.019 -7.263 1.00 . A A . 27 ASP N 1 1 5 5294 1 1 27 ASP O O -4.111 11.155 -4.035 1.00 . A A . 27 ASP O 1 1 5 5295 1 1 27 ASP OD1 O -4.871 9.741 -8.204 1.00 . A A . 27 ASP OD1 1 1 5 5296 1 1 27 ASP OD2 O -6.895 10.660 -8.048 1.00 . A A . 27 ASP OD2 1 1 5 5297 1 1 28 ALA C C -3.840 8.351 -3.369 1.00 . A A . 28 ALA C 1 1 5 5298 1 1 28 ALA CA C -4.744 8.417 -4.603 1.00 . A A . 28 ALA CA 1 1 5 5299 1 1 28 ALA CB C -4.706 7.112 -5.386 1.00 . A A . 28 ALA CB 1 1 5 5300 1 1 28 ALA H H -4.401 9.279 -6.520 1.00 . A A . 28 ALA H 1 1 5 5301 1 1 28 ALA HA H -5.767 8.601 -4.279 1.00 . A A . 28 ALA HA 1 1 5 5302 1 1 28 ALA HB1 H -3.698 6.937 -5.765 1.00 . A A . 28 ALA HB1 1 1 5 5303 1 1 28 ALA HB2 H -5.011 6.298 -4.733 1.00 . A A . 28 ALA HB2 1 1 5 5304 1 1 28 ALA HB3 H -5.395 7.194 -6.226 1.00 . A A . 28 ALA HB3 1 1 5 5305 1 1 28 ALA N N -4.383 9.473 -5.518 1.00 . A A . 28 ALA N 1 1 5 5306 1 1 28 ALA O O -4.319 8.005 -2.290 1.00 . A A . 28 ALA O 1 1 5 5307 1 1 29 CYS C C -0.832 9.942 -2.278 1.00 . A A . 29 CYS C 1 1 5 5308 1 1 29 CYS CA C -1.571 8.610 -2.443 1.00 . A A . 29 CYS CA 1 1 5 5309 1 1 29 CYS CB C -0.589 7.495 -2.676 1.00 . A A . 29 CYS CB 1 1 5 5310 1 1 29 CYS H H -2.235 8.932 -4.454 1.00 . A A . 29 CYS H 1 1 5 5311 1 1 29 CYS HA H -2.068 8.409 -1.494 1.00 . A A . 29 CYS HA 1 1 5 5312 1 1 29 CYS HB2 H -0.032 7.732 -3.581 1.00 . A A . 29 CYS HB2 1 1 5 5313 1 1 29 CYS HB3 H 0.105 7.445 -1.835 1.00 . A A . 29 CYS HB3 1 1 5 5314 1 1 29 CYS N N -2.546 8.650 -3.530 1.00 . A A . 29 CYS N 1 1 5 5315 1 1 29 CYS O O -0.517 10.317 -1.150 1.00 . A A . 29 CYS O 1 1 5 5316 1 1 29 CYS SG S -1.427 5.882 -2.851 1.00 . A A . 29 CYS SG 1 1 5 5317 1 1 30 HIS C C -0.499 12.927 -4.195 1.00 . A A . 30 HIS C 1 1 5 5318 1 1 30 HIS CA C 0.227 11.896 -3.336 1.00 . A A . 30 HIS CA 1 1 5 5319 1 1 30 HIS CB C 1.623 11.712 -3.930 1.00 . A A . 30 HIS CB 1 1 5 5320 1 1 30 HIS CD2 C 2.659 9.451 -3.983 1.00 . A A . 30 HIS CD2 1 1 5 5321 1 1 30 HIS CE1 C 4.370 9.693 -2.661 1.00 . A A . 30 HIS CE1 1 1 5 5322 1 1 30 HIS CG C 2.487 10.629 -3.326 1.00 . A A . 30 HIS CG 1 1 5 5323 1 1 30 HIS H H -0.863 10.354 -4.285 1.00 . A A . 30 HIS H 1 1 5 5324 1 1 30 HIS HA H 0.344 12.277 -2.321 1.00 . A A . 30 HIS HA 1 1 5 5325 1 1 30 HIS HB2 H 1.486 11.467 -4.986 1.00 . A A . 30 HIS HB2 1 1 5 5326 1 1 30 HIS HB3 H 2.113 12.675 -3.914 1.00 . A A . 30 HIS HB3 1 1 5 5327 1 1 30 HIS HD1 H 3.833 11.543 -1.863 1.00 . A A . 30 HIS HD1 1 1 5 5328 1 1 30 HIS HD2 H 2.090 9.094 -4.819 1.00 . A A . 30 HIS HD2 1 1 5 5329 1 1 30 HIS HE1 H 5.347 9.538 -2.234 1.00 . A A . 30 HIS HE1 1 1 5 5330 1 1 30 HIS N N -0.517 10.644 -3.373 1.00 . A A . 30 HIS N 1 1 5 5331 1 1 30 HIS ND1 N 3.572 10.766 -2.471 1.00 . A A . 30 HIS ND1 1 1 5 5332 1 1 30 HIS NE2 N 3.859 8.887 -3.596 1.00 . A A . 30 HIS NE2 1 1 5 5333 1 1 30 HIS O O -0.982 12.587 -5.270 1.00 . A A . 30 HIS O 1 1 5 5334 1 1 31 GLU C C -0.182 16.537 -4.441 1.00 . A A . 31 GLU C 1 1 5 5335 1 1 31 GLU CA C -1.067 15.292 -4.538 1.00 . A A . 31 GLU CA 1 1 5 5336 1 1 31 GLU CB C -2.537 15.533 -4.188 1.00 . A A . 31 GLU CB 1 1 5 5337 1 1 31 GLU CD C -3.506 16.576 -2.109 1.00 . A A . 31 GLU CD 1 1 5 5338 1 1 31 GLU CG C -2.876 15.332 -2.709 1.00 . A A . 31 GLU CG 1 1 5 5339 1 1 31 GLU H H -0.053 14.403 -2.889 1.00 . A A . 31 GLU H 1 1 5 5340 1 1 31 GLU HA H -1.103 15.012 -5.584 1.00 . A A . 31 GLU HA 1 1 5 5341 1 1 31 GLU HB2 H -2.842 16.527 -4.525 1.00 . A A . 31 GLU HB2 1 1 5 5342 1 1 31 GLU HB3 H -3.132 14.813 -4.753 1.00 . A A . 31 GLU HB3 1 1 5 5343 1 1 31 GLU HG2 H -3.557 14.487 -2.689 1.00 . A A . 31 GLU HG2 1 1 5 5344 1 1 31 GLU HG3 H -2.013 15.094 -2.092 1.00 . A A . 31 GLU HG3 1 1 5 5345 1 1 31 GLU N N -0.493 14.191 -3.772 1.00 . A A . 31 GLU N 1 1 5 5346 1 1 31 GLU O O 0.758 16.668 -5.222 1.00 . A A . 31 GLU O 1 1 5 5347 1 1 31 GLU OE1 O -2.744 17.565 -2.028 1.00 . A A . 31 GLU OE1 1 1 5 5348 1 1 31 GLU OE2 O -4.705 16.527 -1.768 1.00 . A A . 31 GLU OE2 1 1 5 5349 1 1 32 GLY C C 1.698 18.690 -3.519 1.00 . A A . 32 GLY C 1 1 5 5350 1 1 32 GLY CA C 0.180 18.735 -3.345 1.00 . A A . 32 GLY CA 1 1 5 5351 1 1 32 GLY H H -1.300 17.291 -2.916 1.00 . A A . 32 GLY H 1 1 5 5352 1 1 32 GLY HA2 H -0.244 19.421 -4.079 1.00 . A A . 32 GLY HA2 1 1 5 5353 1 1 32 GLY HA3 H -0.044 19.117 -2.349 1.00 . A A . 32 GLY HA3 1 1 5 5354 1 1 32 GLY N N -0.466 17.437 -3.493 1.00 . A A . 32 GLY N 1 1 5 5355 1 1 32 GLY O O 2.280 19.551 -4.176 1.00 . A A . 32 GLY O 1 1 5 5356 1 1 33 THR C C 3.937 15.925 -2.732 1.00 . A A . 33 THR C 1 1 5 5357 1 1 33 THR CA C 3.769 17.401 -3.100 1.00 . A A . 33 THR CA 1 1 5 5358 1 1 33 THR CB C 4.607 18.321 -2.194 1.00 . A A . 33 THR CB 1 1 5 5359 1 1 33 THR CG2 C 6.067 17.878 -2.070 1.00 . A A . 33 THR CG2 1 1 5 5360 1 1 33 THR H H 1.829 17.031 -2.368 1.00 . A A . 33 THR H 1 1 5 5361 1 1 33 THR HA H 4.037 17.571 -4.143 1.00 . A A . 33 THR HA 1 1 5 5362 1 1 33 THR HB H 4.168 18.333 -1.195 1.00 . A A . 33 THR HB 1 1 5 5363 1 1 33 THR HG1 H 3.800 19.790 -3.203 1.00 . A A . 33 THR HG1 1 1 5 5364 1 1 33 THR HG21 H 6.533 17.836 -3.053 1.00 . A A . 33 THR HG21 1 1 5 5365 1 1 33 THR HG22 H 6.607 18.598 -1.453 1.00 . A A . 33 THR HG22 1 1 5 5366 1 1 33 THR HG23 H 6.123 16.903 -1.589 1.00 . A A . 33 THR HG23 1 1 5 5367 1 1 33 THR N N 2.355 17.700 -2.914 1.00 . A A . 33 THR N 1 1 5 5368 1 1 33 THR O O 3.356 15.508 -1.731 1.00 . A A . 33 THR O 1 1 5 5369 1 1 33 THR OG1 O 4.617 19.637 -2.711 1.00 . A A . 33 THR OG1 1 1 5 5370 1 1 34 PRO C C 5.685 13.396 -2.043 1.00 . A A . 34 PRO C 1 1 5 5371 1 1 34 PRO CA C 4.784 13.696 -3.232 1.00 . A A . 34 PRO CA 1 1 5 5372 1 1 34 PRO CB C 5.241 13.017 -4.521 1.00 . A A . 34 PRO CB 1 1 5 5373 1 1 34 PRO CD C 5.245 15.416 -4.811 1.00 . A A . 34 PRO CD 1 1 5 5374 1 1 34 PRO CG C 5.974 14.139 -5.246 1.00 . A A . 34 PRO CG 1 1 5 5375 1 1 34 PRO HA H 3.805 13.320 -2.972 1.00 . A A . 34 PRO HA 1 1 5 5376 1 1 34 PRO HB2 H 5.876 12.149 -4.335 1.00 . A A . 34 PRO HB2 1 1 5 5377 1 1 34 PRO HB3 H 4.371 12.717 -5.105 1.00 . A A . 34 PRO HB3 1 1 5 5378 1 1 34 PRO HD2 H 5.939 16.256 -4.776 1.00 . A A . 34 PRO HD2 1 1 5 5379 1 1 34 PRO HD3 H 4.437 15.626 -5.515 1.00 . A A . 34 PRO HD3 1 1 5 5380 1 1 34 PRO HG2 H 7.001 14.158 -4.891 1.00 . A A . 34 PRO HG2 1 1 5 5381 1 1 34 PRO HG3 H 5.939 13.992 -6.324 1.00 . A A . 34 PRO HG3 1 1 5 5382 1 1 34 PRO N N 4.673 15.112 -3.512 1.00 . A A . 34 PRO N 1 1 5 5383 1 1 34 PRO O O 5.241 12.655 -1.174 1.00 . A A . 34 PRO O 1 1 5 5384 1 1 35 ALA C C 7.905 12.550 -0.191 1.00 . A A . 35 ALA C 1 1 5 5385 1 1 35 ALA CA C 7.934 13.854 -0.996 1.00 . A A . 35 ALA CA 1 1 5 5386 1 1 35 ALA CB C 7.856 15.085 -0.085 1.00 . A A . 35 ALA CB 1 1 5 5387 1 1 35 ALA H H 7.136 14.530 -2.830 1.00 . A A . 35 ALA H 1 1 5 5388 1 1 35 ALA HA H 8.905 13.891 -1.493 1.00 . A A . 35 ALA HA 1 1 5 5389 1 1 35 ALA HB1 H 8.016 15.988 -0.670 1.00 . A A . 35 ALA HB1 1 1 5 5390 1 1 35 ALA HB2 H 6.879 15.129 0.400 1.00 . A A . 35 ALA HB2 1 1 5 5391 1 1 35 ALA HB3 H 8.631 15.030 0.679 1.00 . A A . 35 ALA HB3 1 1 5 5392 1 1 35 ALA N N 6.910 13.946 -2.041 1.00 . A A . 35 ALA N 1 1 5 5393 1 1 35 ALA O O 7.810 12.584 1.035 1.00 . A A . 35 ALA O 1 1 5 5394 1 1 36 LYS C C 6.759 9.871 0.599 1.00 . A A . 36 LYS C 1 1 5 5395 1 1 36 LYS CA C 7.935 10.068 -0.368 1.00 . A A . 36 LYS CA 1 1 5 5396 1 1 36 LYS CB C 9.300 9.568 0.132 1.00 . A A . 36 LYS CB 1 1 5 5397 1 1 36 LYS CD C 11.241 9.752 1.749 1.00 . A A . 36 LYS CD 1 1 5 5398 1 1 36 LYS CE C 11.463 8.239 1.619 1.00 . A A . 36 LYS CE 1 1 5 5399 1 1 36 LYS CG C 9.812 10.216 1.425 1.00 . A A . 36 LYS CG 1 1 5 5400 1 1 36 LYS H H 8.283 11.466 -1.863 1.00 . A A . 36 LYS H 1 1 5 5401 1 1 36 LYS HA H 7.688 9.463 -1.234 1.00 . A A . 36 LYS HA 1 1 5 5402 1 1 36 LYS HB2 H 9.230 8.493 0.259 1.00 . A A . 36 LYS HB2 1 1 5 5403 1 1 36 LYS HB3 H 10.042 9.770 -0.639 1.00 . A A . 36 LYS HB3 1 1 5 5404 1 1 36 LYS HD2 H 11.915 10.233 1.034 1.00 . A A . 36 LYS HD2 1 1 5 5405 1 1 36 LYS HD3 H 11.514 10.093 2.749 1.00 . A A . 36 LYS HD3 1 1 5 5406 1 1 36 LYS HE2 H 11.280 7.913 0.594 1.00 . A A . 36 LYS HE2 1 1 5 5407 1 1 36 LYS HE3 H 12.513 8.034 1.806 1.00 . A A . 36 LYS HE3 1 1 5 5408 1 1 36 LYS HG2 H 9.862 11.295 1.297 1.00 . A A . 36 LYS HG2 1 1 5 5409 1 1 36 LYS HG3 H 9.124 10.014 2.243 1.00 . A A . 36 LYS HG3 1 1 5 5410 1 1 36 LYS HZ1 H 9.681 7.783 2.620 1.00 . A A . 36 LYS HZ1 1 1 5 5411 1 1 36 LYS HZ2 H 10.575 6.497 2.152 1.00 . A A . 36 LYS HZ2 1 1 5 5412 1 1 36 LYS HZ3 H 11.032 7.398 3.466 1.00 . A A . 36 LYS HZ3 1 1 5 5413 1 1 36 LYS N N 8.063 11.416 -0.885 1.00 . A A . 36 LYS N 1 1 5 5414 1 1 36 LYS NZ N 10.633 7.439 2.543 1.00 . A A . 36 LYS NZ 1 1 5 5415 1 1 36 LYS O O 5.857 10.690 0.689 1.00 . A A . 36 LYS O 1 1 5 5416 1 1 37 ILE C C 6.909 7.723 3.390 1.00 . A A . 37 ILE C 1 1 5 5417 1 1 37 ILE CA C 5.964 8.551 2.511 1.00 . A A . 37 ILE CA 1 1 5 5418 1 1 37 ILE CB C 4.598 7.864 2.230 1.00 . A A . 37 ILE CB 1 1 5 5419 1 1 37 ILE CD1 C 3.038 9.591 1.050 1.00 . A A . 37 ILE CD1 1 1 5 5420 1 1 37 ILE CG1 C 3.867 8.302 0.957 1.00 . A A . 37 ILE CG1 1 1 5 5421 1 1 37 ILE CG2 C 3.614 8.012 3.410 1.00 . A A . 37 ILE CG2 1 1 5 5422 1 1 37 ILE H H 7.518 8.107 1.206 1.00 . A A . 37 ILE H 1 1 5 5423 1 1 37 ILE HA H 5.789 9.513 2.996 1.00 . A A . 37 ILE HA 1 1 5 5424 1 1 37 ILE HB H 4.784 6.809 2.031 1.00 . A A . 37 ILE HB 1 1 5 5425 1 1 37 ILE HD11 H 2.133 9.414 1.632 1.00 . A A . 37 ILE HD11 1 1 5 5426 1 1 37 ILE HD12 H 3.602 10.395 1.516 1.00 . A A . 37 ILE HD12 1 1 5 5427 1 1 37 ILE HD13 H 2.738 9.894 0.048 1.00 . A A . 37 ILE HD13 1 1 5 5428 1 1 37 ILE HG12 H 4.570 8.342 0.134 1.00 . A A . 37 ILE HG12 1 1 5 5429 1 1 37 ILE HG13 H 3.173 7.498 0.737 1.00 . A A . 37 ILE HG13 1 1 5 5430 1 1 37 ILE HG21 H 3.413 9.066 3.598 1.00 . A A . 37 ILE HG21 1 1 5 5431 1 1 37 ILE HG22 H 2.676 7.513 3.165 1.00 . A A . 37 ILE HG22 1 1 5 5432 1 1 37 ILE HG23 H 3.983 7.587 4.340 1.00 . A A . 37 ILE HG23 1 1 5 5433 1 1 37 ILE N N 6.752 8.749 1.312 1.00 . A A . 37 ILE N 1 1 5 5434 1 1 37 ILE O O 8.124 7.946 3.378 1.00 . A A . 37 ILE O 1 1 5 5435 1 1 38 ALA C C 5.907 5.077 5.746 1.00 . A A . 38 ALA C 1 1 5 5436 1 1 38 ALA CA C 7.005 5.919 5.109 1.00 . A A . 38 ALA CA 1 1 5 5437 1 1 38 ALA CB C 7.622 6.827 6.176 1.00 . A A . 38 ALA CB 1 1 5 5438 1 1 38 ALA H H 5.407 6.517 3.844 1.00 . A A . 38 ALA H 1 1 5 5439 1 1 38 ALA HA H 7.771 5.270 4.683 1.00 . A A . 38 ALA HA 1 1 5 5440 1 1 38 ALA HB1 H 7.944 6.216 7.021 1.00 . A A . 38 ALA HB1 1 1 5 5441 1 1 38 ALA HB2 H 8.478 7.373 5.787 1.00 . A A . 38 ALA HB2 1 1 5 5442 1 1 38 ALA HB3 H 6.859 7.528 6.518 1.00 . A A . 38 ALA HB3 1 1 5 5443 1 1 38 ALA N N 6.371 6.714 4.065 1.00 . A A . 38 ALA N 1 1 5 5444 1 1 38 ALA O O 5.585 5.249 6.920 1.00 . A A . 38 ALA O 1 1 5 5445 1 1 39 ILE C C 4.689 2.364 6.359 1.00 . A A . 39 ILE C 1 1 5 5446 1 1 39 ILE CA C 4.143 3.465 5.462 1.00 . A A . 39 ILE CA 1 1 5 5447 1 1 39 ILE CB C 3.256 2.936 4.333 1.00 . A A . 39 ILE CB 1 1 5 5448 1 1 39 ILE CD1 C 1.925 3.730 2.305 1.00 . A A . 39 ILE CD1 1 1 5 5449 1 1 39 ILE CG1 C 2.968 4.086 3.355 1.00 . A A . 39 ILE CG1 1 1 5 5450 1 1 39 ILE CG2 C 1.975 2.382 4.969 1.00 . A A . 39 ILE CG2 1 1 5 5451 1 1 39 ILE H H 5.601 4.014 4.021 1.00 . A A . 39 ILE H 1 1 5 5452 1 1 39 ILE HA H 3.522 4.145 6.050 1.00 . A A . 39 ILE HA 1 1 5 5453 1 1 39 ILE HB H 3.763 2.132 3.807 1.00 . A A . 39 ILE HB 1 1 5 5454 1 1 39 ILE HD11 H 1.036 3.348 2.793 1.00 . A A . 39 ILE HD11 1 1 5 5455 1 1 39 ILE HD12 H 1.656 4.623 1.744 1.00 . A A . 39 ILE HD12 1 1 5 5456 1 1 39 ILE HD13 H 2.337 2.983 1.632 1.00 . A A . 39 ILE HD13 1 1 5 5457 1 1 39 ILE HG12 H 2.617 4.957 3.898 1.00 . A A . 39 ILE HG12 1 1 5 5458 1 1 39 ILE HG13 H 3.885 4.361 2.843 1.00 . A A . 39 ILE HG13 1 1 5 5459 1 1 39 ILE HG21 H 1.349 3.200 5.318 1.00 . A A . 39 ILE HG21 1 1 5 5460 1 1 39 ILE HG22 H 1.421 1.774 4.256 1.00 . A A . 39 ILE HG22 1 1 5 5461 1 1 39 ILE HG23 H 2.225 1.745 5.812 1.00 . A A . 39 ILE HG23 1 1 5 5462 1 1 39 ILE N N 5.268 4.220 4.955 1.00 . A A . 39 ILE N 1 1 5 5463 1 1 39 ILE O O 5.448 1.507 5.914 1.00 . A A . 39 ILE O 1 1 5 5464 1 1 40 ASP C C 3.481 0.608 9.004 1.00 . A A . 40 ASP C 1 1 5 5465 1 1 40 ASP CA C 4.671 1.483 8.661 1.00 . A A . 40 ASP CA 1 1 5 5466 1 1 40 ASP CB C 5.191 2.202 9.916 1.00 . A A . 40 ASP CB 1 1 5 5467 1 1 40 ASP CG C 4.150 3.009 10.686 1.00 . A A . 40 ASP CG 1 1 5 5468 1 1 40 ASP H H 3.599 3.120 7.852 1.00 . A A . 40 ASP H 1 1 5 5469 1 1 40 ASP HA H 5.474 0.838 8.297 1.00 . A A . 40 ASP HA 1 1 5 5470 1 1 40 ASP HB2 H 5.603 1.463 10.603 1.00 . A A . 40 ASP HB2 1 1 5 5471 1 1 40 ASP HB3 H 6.008 2.853 9.624 1.00 . A A . 40 ASP HB3 1 1 5 5472 1 1 40 ASP N N 4.297 2.428 7.626 1.00 . A A . 40 ASP N 1 1 5 5473 1 1 40 ASP O O 2.363 0.838 8.557 1.00 . A A . 40 ASP O 1 1 5 5474 1 1 40 ASP OD1 O 3.052 3.271 10.146 1.00 . A A . 40 ASP OD1 1 1 5 5475 1 1 40 ASP OD2 O 4.441 3.354 11.852 1.00 . A A . 40 ASP OD2 1 1 5 5476 1 1 41 LYS C C 1.539 -0.604 10.874 1.00 . A A . 41 LYS C 1 1 5 5477 1 1 41 LYS CA C 2.806 -1.323 10.433 1.00 . A A . 41 LYS CA 1 1 5 5478 1 1 41 LYS CB C 3.568 -2.098 11.521 1.00 . A A . 41 LYS CB 1 1 5 5479 1 1 41 LYS CD C 4.146 -2.505 13.905 1.00 . A A . 41 LYS CD 1 1 5 5480 1 1 41 LYS CE C 5.139 -3.656 13.635 1.00 . A A . 41 LYS CE 1 1 5 5481 1 1 41 LYS CG C 2.983 -2.369 12.905 1.00 . A A . 41 LYS CG 1 1 5 5482 1 1 41 LYS H H 4.739 -0.459 10.070 1.00 . A A . 41 LYS H 1 1 5 5483 1 1 41 LYS HA H 2.468 -2.049 9.697 1.00 . A A . 41 LYS HA 1 1 5 5484 1 1 41 LYS HB2 H 3.759 -3.076 11.095 1.00 . A A . 41 LYS HB2 1 1 5 5485 1 1 41 LYS HB3 H 4.518 -1.589 11.684 1.00 . A A . 41 LYS HB3 1 1 5 5486 1 1 41 LYS HD2 H 4.684 -1.558 13.970 1.00 . A A . 41 LYS HD2 1 1 5 5487 1 1 41 LYS HD3 H 3.695 -2.692 14.882 1.00 . A A . 41 LYS HD3 1 1 5 5488 1 1 41 LYS HE2 H 5.740 -3.803 14.534 1.00 . A A . 41 LYS HE2 1 1 5 5489 1 1 41 LYS HE3 H 4.576 -4.570 13.472 1.00 . A A . 41 LYS HE3 1 1 5 5490 1 1 41 LYS HG2 H 2.352 -1.550 13.247 1.00 . A A . 41 LYS HG2 1 1 5 5491 1 1 41 LYS HG3 H 2.379 -3.280 12.878 1.00 . A A . 41 LYS HG3 1 1 5 5492 1 1 41 LYS HZ1 H 6.705 -2.667 12.634 1.00 . A A . 41 LYS HZ1 1 1 5 5493 1 1 41 LYS HZ2 H 6.670 -4.300 12.454 1.00 . A A . 41 LYS HZ2 1 1 5 5494 1 1 41 LYS HZ3 H 5.680 -3.396 11.583 1.00 . A A . 41 LYS HZ3 1 1 5 5495 1 1 41 LYS N N 3.757 -0.387 9.838 1.00 . A A . 41 LYS N 1 1 5 5496 1 1 41 LYS NZ N 6.095 -3.458 12.515 1.00 . A A . 41 LYS NZ 1 1 5 5497 1 1 41 LYS O O 0.445 -0.930 10.417 1.00 . A A . 41 LYS O 1 1 5 5498 1 1 42 LYS C C -0.201 1.766 11.014 1.00 . A A . 42 LYS C 1 1 5 5499 1 1 42 LYS CA C 0.622 1.246 12.196 1.00 . A A . 42 LYS CA 1 1 5 5500 1 1 42 LYS CB C 1.212 2.412 12.987 1.00 . A A . 42 LYS CB 1 1 5 5501 1 1 42 LYS CD C 2.940 2.867 14.819 1.00 . A A . 42 LYS CD 1 1 5 5502 1 1 42 LYS CE C 2.742 4.390 14.702 1.00 . A A . 42 LYS CE 1 1 5 5503 1 1 42 LYS CG C 1.756 2.001 14.358 1.00 . A A . 42 LYS CG 1 1 5 5504 1 1 42 LYS H H 2.659 0.617 11.986 1.00 . A A . 42 LYS H 1 1 5 5505 1 1 42 LYS HA H -0.037 0.665 12.843 1.00 . A A . 42 LYS HA 1 1 5 5506 1 1 42 LYS HB2 H 2.021 2.789 12.377 1.00 . A A . 42 LYS HB2 1 1 5 5507 1 1 42 LYS HB3 H 0.460 3.192 13.120 1.00 . A A . 42 LYS HB3 1 1 5 5508 1 1 42 LYS HD2 H 3.121 2.626 15.870 1.00 . A A . 42 LYS HD2 1 1 5 5509 1 1 42 LYS HD3 H 3.836 2.574 14.263 1.00 . A A . 42 LYS HD3 1 1 5 5510 1 1 42 LYS HE2 H 1.749 4.671 15.056 1.00 . A A . 42 LYS HE2 1 1 5 5511 1 1 42 LYS HE3 H 3.483 4.863 15.350 1.00 . A A . 42 LYS HE3 1 1 5 5512 1 1 42 LYS HG2 H 0.945 2.054 15.087 1.00 . A A . 42 LYS HG2 1 1 5 5513 1 1 42 LYS HG3 H 2.101 0.966 14.322 1.00 . A A . 42 LYS HG3 1 1 5 5514 1 1 42 LYS HZ1 H 3.769 4.426 12.902 1.00 . A A . 42 LYS HZ1 1 1 5 5515 1 1 42 LYS HZ2 H 2.188 4.687 12.725 1.00 . A A . 42 LYS HZ2 1 1 5 5516 1 1 42 LYS HZ3 H 3.131 5.892 13.318 1.00 . A A . 42 LYS HZ3 1 1 5 5517 1 1 42 LYS N N 1.708 0.399 11.730 1.00 . A A . 42 LYS N 1 1 5 5518 1 1 42 LYS NZ N 2.967 4.898 13.329 1.00 . A A . 42 LYS NZ 1 1 5 5519 1 1 42 LYS O O -1.379 1.449 10.907 1.00 . A A . 42 LYS O 1 1 5 5520 1 1 43 SER C C -0.976 2.254 8.138 1.00 . A A . 43 SER C 1 1 5 5521 1 1 43 SER CA C -0.332 3.266 9.087 1.00 . A A . 43 SER CA 1 1 5 5522 1 1 43 SER CB C 0.607 4.222 8.345 1.00 . A A . 43 SER CB 1 1 5 5523 1 1 43 SER H H 1.405 2.756 10.219 1.00 . A A . 43 SER H 1 1 5 5524 1 1 43 SER HA H -1.120 3.863 9.550 1.00 . A A . 43 SER HA 1 1 5 5525 1 1 43 SER HB2 H 1.334 3.657 7.761 1.00 . A A . 43 SER HB2 1 1 5 5526 1 1 43 SER HB3 H 0.022 4.850 7.675 1.00 . A A . 43 SER HB3 1 1 5 5527 1 1 43 SER HG H 2.034 4.499 9.637 1.00 . A A . 43 SER HG 1 1 5 5528 1 1 43 SER N N 0.401 2.581 10.144 1.00 . A A . 43 SER N 1 1 5 5529 1 1 43 SER O O -2.179 2.300 7.891 1.00 . A A . 43 SER O 1 1 5 5530 1 1 43 SER OG O 1.305 5.030 9.273 1.00 . A A . 43 SER OG 1 1 5 5531 1 1 44 ALA C C -1.795 -0.486 7.296 1.00 . A A . 44 ALA C 1 1 5 5532 1 1 44 ALA CA C -0.542 0.210 6.783 1.00 . A A . 44 ALA CA 1 1 5 5533 1 1 44 ALA CB C 0.625 -0.773 6.730 1.00 . A A . 44 ALA CB 1 1 5 5534 1 1 44 ALA H H 0.808 1.383 7.890 1.00 . A A . 44 ALA H 1 1 5 5535 1 1 44 ALA HA H -0.723 0.565 5.773 1.00 . A A . 44 ALA HA 1 1 5 5536 1 1 44 ALA HB1 H 0.373 -1.581 6.046 1.00 . A A . 44 ALA HB1 1 1 5 5537 1 1 44 ALA HB2 H 1.519 -0.254 6.387 1.00 . A A . 44 ALA HB2 1 1 5 5538 1 1 44 ALA HB3 H 0.824 -1.186 7.719 1.00 . A A . 44 ALA HB3 1 1 5 5539 1 1 44 ALA N N -0.164 1.335 7.619 1.00 . A A . 44 ALA N 1 1 5 5540 1 1 44 ALA O O -2.790 -0.569 6.571 1.00 . A A . 44 ALA O 1 1 5 5541 1 1 45 HIS C C -3.782 -0.746 9.927 1.00 . A A . 45 HIS C 1 1 5 5542 1 1 45 HIS CA C -2.825 -1.691 9.184 1.00 . A A . 45 HIS CA 1 1 5 5543 1 1 45 HIS CB C -2.259 -2.812 10.080 1.00 . A A . 45 HIS CB 1 1 5 5544 1 1 45 HIS CD2 C -0.753 -4.481 8.772 1.00 . A A . 45 HIS CD2 1 1 5 5545 1 1 45 HIS CE1 C -2.162 -6.148 8.623 1.00 . A A . 45 HIS CE1 1 1 5 5546 1 1 45 HIS CG C -1.943 -4.093 9.344 1.00 . A A . 45 HIS CG 1 1 5 5547 1 1 45 HIS H H -0.898 -0.811 9.092 1.00 . A A . 45 HIS H 1 1 5 5548 1 1 45 HIS HA H -3.425 -2.179 8.420 1.00 . A A . 45 HIS HA 1 1 5 5549 1 1 45 HIS HB2 H -1.386 -2.471 10.629 1.00 . A A . 45 HIS HB2 1 1 5 5550 1 1 45 HIS HB3 H -3.005 -3.087 10.825 1.00 . A A . 45 HIS HB3 1 1 5 5551 1 1 45 HIS HD1 H -3.734 -5.209 9.641 1.00 . A A . 45 HIS HD1 1 1 5 5552 1 1 45 HIS HD2 H 0.149 -3.892 8.720 1.00 . A A . 45 HIS HD2 1 1 5 5553 1 1 45 HIS HE1 H -2.599 -7.109 8.429 1.00 . A A . 45 HIS HE1 1 1 5 5554 1 1 45 HIS N N -1.739 -0.968 8.542 1.00 . A A . 45 HIS N 1 1 5 5555 1 1 45 HIS ND1 N -2.807 -5.157 9.251 1.00 . A A . 45 HIS ND1 1 1 5 5556 1 1 45 HIS NE2 N -0.904 -5.800 8.313 1.00 . A A . 45 HIS NE2 1 1 5 5557 1 1 45 HIS O O -4.505 -1.193 10.819 1.00 . A A . 45 HIS O 1 1 5 5558 1 1 46 LYS C C -5.506 2.209 8.871 1.00 . A A . 46 LYS C 1 1 5 5559 1 1 46 LYS CA C -4.866 1.465 10.041 1.00 . A A . 46 LYS CA 1 1 5 5560 1 1 46 LYS CB C -4.209 2.375 11.095 1.00 . A A . 46 LYS CB 1 1 5 5561 1 1 46 LYS CD C -5.303 4.657 10.982 1.00 . A A . 46 LYS CD 1 1 5 5562 1 1 46 LYS CE C -5.922 5.835 11.746 1.00 . A A . 46 LYS CE 1 1 5 5563 1 1 46 LYS CG C -5.137 3.377 11.805 1.00 . A A . 46 LYS CG 1 1 5 5564 1 1 46 LYS H H -3.228 0.869 8.818 1.00 . A A . 46 LYS H 1 1 5 5565 1 1 46 LYS HA H -5.669 0.921 10.541 1.00 . A A . 46 LYS HA 1 1 5 5566 1 1 46 LYS HB2 H -3.809 1.717 11.869 1.00 . A A . 46 LYS HB2 1 1 5 5567 1 1 46 LYS HB3 H -3.372 2.913 10.652 1.00 . A A . 46 LYS HB3 1 1 5 5568 1 1 46 LYS HD2 H -4.315 4.962 10.630 1.00 . A A . 46 LYS HD2 1 1 5 5569 1 1 46 LYS HD3 H -5.942 4.448 10.125 1.00 . A A . 46 LYS HD3 1 1 5 5570 1 1 46 LYS HE2 H -6.920 5.562 12.092 1.00 . A A . 46 LYS HE2 1 1 5 5571 1 1 46 LYS HE3 H -5.299 6.083 12.607 1.00 . A A . 46 LYS HE3 1 1 5 5572 1 1 46 LYS HG2 H -6.106 2.918 12.008 1.00 . A A . 46 LYS HG2 1 1 5 5573 1 1 46 LYS HG3 H -4.666 3.638 12.753 1.00 . A A . 46 LYS HG3 1 1 5 5574 1 1 46 LYS HZ1 H -6.561 6.785 10.024 1.00 . A A . 46 LYS HZ1 1 1 5 5575 1 1 46 LYS HZ2 H -6.384 7.840 11.307 1.00 . A A . 46 LYS HZ2 1 1 5 5576 1 1 46 LYS HZ3 H -5.108 7.204 10.432 1.00 . A A . 46 LYS HZ3 1 1 5 5577 1 1 46 LYS N N -3.876 0.526 9.520 1.00 . A A . 46 LYS N 1 1 5 5578 1 1 46 LYS NZ N -6.018 7.015 10.861 1.00 . A A . 46 LYS NZ 1 1 5 5579 1 1 46 LYS O O -6.675 1.981 8.572 1.00 . A A . 46 LYS O 1 1 5 5580 1 1 47 ASP C C -4.862 3.273 5.789 1.00 . A A . 47 ASP C 1 1 5 5581 1 1 47 ASP CA C -5.201 3.931 7.121 1.00 . A A . 47 ASP CA 1 1 5 5582 1 1 47 ASP CB C -4.524 5.316 7.159 1.00 . A A . 47 ASP CB 1 1 5 5583 1 1 47 ASP CG C -5.069 6.238 8.235 1.00 . A A . 47 ASP CG 1 1 5 5584 1 1 47 ASP H H -3.762 3.130 8.472 1.00 . A A . 47 ASP H 1 1 5 5585 1 1 47 ASP HA H -6.282 4.067 7.165 1.00 . A A . 47 ASP HA 1 1 5 5586 1 1 47 ASP HB2 H -3.447 5.211 7.289 1.00 . A A . 47 ASP HB2 1 1 5 5587 1 1 47 ASP HB3 H -4.704 5.819 6.208 1.00 . A A . 47 ASP HB3 1 1 5 5588 1 1 47 ASP N N -4.743 3.095 8.224 1.00 . A A . 47 ASP N 1 1 5 5589 1 1 47 ASP O O -5.738 3.058 4.956 1.00 . A A . 47 ASP O 1 1 5 5590 1 1 47 ASP OD1 O -6.307 6.314 8.401 1.00 . A A . 47 ASP OD1 1 1 5 5591 1 1 47 ASP OD2 O -4.261 6.825 8.987 1.00 . A A . 47 ASP OD2 1 1 5 5592 1 1 48 ALA C C -3.380 1.960 3.328 1.00 . A A . 48 ALA C 1 1 5 5593 1 1 48 ALA CA C -3.005 3.140 4.226 1.00 . A A . 48 ALA CA 1 1 5 5594 1 1 48 ALA CB C -1.492 3.344 4.329 1.00 . A A . 48 ALA CB 1 1 5 5595 1 1 48 ALA H H -2.943 3.107 6.356 1.00 . A A . 48 ALA H 1 1 5 5596 1 1 48 ALA HA H -3.409 4.041 3.760 1.00 . A A . 48 ALA HA 1 1 5 5597 1 1 48 ALA HB1 H -1.093 3.466 3.325 1.00 . A A . 48 ALA HB1 1 1 5 5598 1 1 48 ALA HB2 H -1.278 4.243 4.908 1.00 . A A . 48 ALA HB2 1 1 5 5599 1 1 48 ALA HB3 H -1.010 2.497 4.816 1.00 . A A . 48 ALA HB3 1 1 5 5600 1 1 48 ALA N N -3.569 3.045 5.561 1.00 . A A . 48 ALA N 1 1 5 5601 1 1 48 ALA O O -4.013 2.146 2.292 1.00 . A A . 48 ALA O 1 1 5 5602 1 1 49 CYS C C -4.431 -1.142 3.247 1.00 . A A . 49 CYS C 1 1 5 5603 1 1 49 CYS CA C -3.136 -0.425 2.850 1.00 . A A . 49 CYS CA 1 1 5 5604 1 1 49 CYS CB C -1.953 -1.360 2.955 1.00 . A A . 49 CYS CB 1 1 5 5605 1 1 49 CYS H H -2.492 0.631 4.570 1.00 . A A . 49 CYS H 1 1 5 5606 1 1 49 CYS HA H -3.213 -0.111 1.812 1.00 . A A . 49 CYS HA 1 1 5 5607 1 1 49 CYS HB2 H -2.077 -1.933 3.867 1.00 . A A . 49 CYS HB2 1 1 5 5608 1 1 49 CYS HB3 H -1.964 -2.060 2.121 1.00 . A A . 49 CYS HB3 1 1 5 5609 1 1 49 CYS N N -2.958 0.748 3.690 1.00 . A A . 49 CYS N 1 1 5 5610 1 1 49 CYS O O -5.234 -1.522 2.395 1.00 . A A . 49 CYS O 1 1 5 5611 1 1 49 CYS SG S -0.307 -0.595 3.118 1.00 . A A . 49 CYS SG 1 1 5 5612 1 1 50 LYS C C -7.100 -1.468 5.005 1.00 . A A . 50 LYS C 1 1 5 5613 1 1 50 LYS CA C -5.742 -2.195 5.054 1.00 . A A . 50 LYS CA 1 1 5 5614 1 1 50 LYS CB C -5.366 -2.609 6.485 1.00 . A A . 50 LYS CB 1 1 5 5615 1 1 50 LYS CD C -6.348 -3.604 8.635 1.00 . A A . 50 LYS CD 1 1 5 5616 1 1 50 LYS CE C -6.925 -2.287 9.197 1.00 . A A . 50 LYS CE 1 1 5 5617 1 1 50 LYS CG C -6.255 -3.706 7.101 1.00 . A A . 50 LYS CG 1 1 5 5618 1 1 50 LYS H H -3.984 -1.005 5.221 1.00 . A A . 50 LYS H 1 1 5 5619 1 1 50 LYS HA H -5.810 -3.096 4.443 1.00 . A A . 50 LYS HA 1 1 5 5620 1 1 50 LYS HB2 H -4.342 -2.987 6.476 1.00 . A A . 50 LYS HB2 1 1 5 5621 1 1 50 LYS HB3 H -5.383 -1.702 7.083 1.00 . A A . 50 LYS HB3 1 1 5 5622 1 1 50 LYS HD2 H -6.950 -4.440 8.997 1.00 . A A . 50 LYS HD2 1 1 5 5623 1 1 50 LYS HD3 H -5.345 -3.721 9.046 1.00 . A A . 50 LYS HD3 1 1 5 5624 1 1 50 LYS HE2 H -7.049 -2.397 10.276 1.00 . A A . 50 LYS HE2 1 1 5 5625 1 1 50 LYS HE3 H -6.228 -1.468 9.034 1.00 . A A . 50 LYS HE3 1 1 5 5626 1 1 50 LYS HG2 H -7.255 -3.713 6.675 1.00 . A A . 50 LYS HG2 1 1 5 5627 1 1 50 LYS HG3 H -5.805 -4.669 6.845 1.00 . A A . 50 LYS HG3 1 1 5 5628 1 1 50 LYS HZ1 H -8.081 -1.718 7.599 1.00 . A A . 50 LYS HZ1 1 1 5 5629 1 1 50 LYS HZ2 H -8.916 -2.587 8.725 1.00 . A A . 50 LYS HZ2 1 1 5 5630 1 1 50 LYS HZ3 H -8.516 -1.010 9.000 1.00 . A A . 50 LYS HZ3 1 1 5 5631 1 1 50 LYS N N -4.656 -1.361 4.545 1.00 . A A . 50 LYS N 1 1 5 5632 1 1 50 LYS NZ N -8.209 -1.882 8.593 1.00 . A A . 50 LYS NZ 1 1 5 5633 1 1 50 LYS O O -7.875 -1.543 5.958 1.00 . A A . 50 LYS O 1 1 5 5634 1 1 51 THR C C -9.024 0.046 2.291 1.00 . A A . 51 THR C 1 1 5 5635 1 1 51 THR CA C -8.599 0.035 3.756 1.00 . A A . 51 THR CA 1 1 5 5636 1 1 51 THR CB C -8.325 1.448 4.302 1.00 . A A . 51 THR CB 1 1 5 5637 1 1 51 THR CG2 C -9.604 2.283 4.395 1.00 . A A . 51 THR CG2 1 1 5 5638 1 1 51 THR H H -6.766 -0.878 3.120 1.00 . A A . 51 THR H 1 1 5 5639 1 1 51 THR HA H -9.415 -0.400 4.336 1.00 . A A . 51 THR HA 1 1 5 5640 1 1 51 THR HB H -7.613 1.962 3.655 1.00 . A A . 51 THR HB 1 1 5 5641 1 1 51 THR HG1 H -7.116 2.067 5.679 1.00 . A A . 51 THR HG1 1 1 5 5642 1 1 51 THR HG21 H -10.319 1.793 5.057 1.00 . A A . 51 THR HG21 1 1 5 5643 1 1 51 THR HG22 H -9.363 3.266 4.800 1.00 . A A . 51 THR HG22 1 1 5 5644 1 1 51 THR HG23 H -10.052 2.409 3.409 1.00 . A A . 51 THR HG23 1 1 5 5645 1 1 51 THR N N -7.413 -0.802 3.895 1.00 . A A . 51 THR N 1 1 5 5646 1 1 51 THR O O -10.065 -0.507 1.953 1.00 . A A . 51 THR O 1 1 5 5647 1 1 51 THR OG1 O -7.769 1.359 5.595 1.00 . A A . 51 THR OG1 1 1 5 5648 1 1 52 CYS C C -8.899 -0.694 -0.574 1.00 . A A . 52 CYS C 1 1 5 5649 1 1 52 CYS CA C -8.439 0.658 -0.025 1.00 . A A . 52 CYS CA 1 1 5 5650 1 1 52 CYS CB C -7.170 1.073 -0.712 1.00 . A A . 52 CYS CB 1 1 5 5651 1 1 52 CYS H H -7.345 1.050 1.742 1.00 . A A . 52 CYS H 1 1 5 5652 1 1 52 CYS HA H -9.223 1.387 -0.236 1.00 . A A . 52 CYS HA 1 1 5 5653 1 1 52 CYS HB2 H -6.292 0.664 -0.207 1.00 . A A . 52 CYS HB2 1 1 5 5654 1 1 52 CYS HB3 H -7.189 0.661 -1.719 1.00 . A A . 52 CYS HB3 1 1 5 5655 1 1 52 CYS N N -8.193 0.612 1.411 1.00 . A A . 52 CYS N 1 1 5 5656 1 1 52 CYS O O -9.967 -0.813 -1.178 1.00 . A A . 52 CYS O 1 1 5 5657 1 1 52 CYS SG S -7.031 2.880 -0.828 1.00 . A A . 52 CYS SG 1 1 5 5658 1 1 53 HIS C C -9.709 -3.548 -0.219 1.00 . A A . 53 HIS C 1 1 5 5659 1 1 53 HIS CA C -8.421 -3.055 -0.877 1.00 . A A . 53 HIS CA 1 1 5 5660 1 1 53 HIS CB C -7.273 -4.060 -0.700 1.00 . A A . 53 HIS CB 1 1 5 5661 1 1 53 HIS CD2 C -5.288 -3.179 -2.086 1.00 . A A . 53 HIS CD2 1 1 5 5662 1 1 53 HIS CE1 C -4.244 -2.115 -0.498 1.00 . A A . 53 HIS CE1 1 1 5 5663 1 1 53 HIS CG C -5.918 -3.449 -0.898 1.00 . A A . 53 HIS CG 1 1 5 5664 1 1 53 HIS H H -7.183 -1.561 0.039 1.00 . A A . 53 HIS H 1 1 5 5665 1 1 53 HIS HA H -8.589 -2.962 -1.949 1.00 . A A . 53 HIS HA 1 1 5 5666 1 1 53 HIS HB2 H -7.313 -4.488 0.300 1.00 . A A . 53 HIS HB2 1 1 5 5667 1 1 53 HIS HB3 H -7.407 -4.875 -1.414 1.00 . A A . 53 HIS HB3 1 1 5 5668 1 1 53 HIS HD1 H -5.478 -2.642 1.067 1.00 . A A . 53 HIS HD1 1 1 5 5669 1 1 53 HIS HD2 H -5.558 -3.484 -3.082 1.00 . A A . 53 HIS HD2 1 1 5 5670 1 1 53 HIS HE1 H -3.565 -1.466 0.010 1.00 . A A . 53 HIS HE1 1 1 5 5671 1 1 53 HIS N N -8.087 -1.731 -0.375 1.00 . A A . 53 HIS N 1 1 5 5672 1 1 53 HIS ND1 N -5.246 -2.775 0.086 1.00 . A A . 53 HIS ND1 1 1 5 5673 1 1 53 HIS NE2 N -4.215 -2.334 -1.812 1.00 . A A . 53 HIS NE2 1 1 5 5674 1 1 53 HIS O O -10.482 -4.261 -0.849 1.00 . A A . 53 HIS O 1 1 5 5675 1 1 54 LYS C C -12.412 -2.690 1.238 1.00 . A A . 54 LYS C 1 1 5 5676 1 1 54 LYS CA C -11.206 -3.502 1.746 1.00 . A A . 54 LYS CA 1 1 5 5677 1 1 54 LYS CB C -10.998 -3.349 3.255 1.00 . A A . 54 LYS CB 1 1 5 5678 1 1 54 LYS CD C -9.733 -5.577 3.396 1.00 . A A . 54 LYS CD 1 1 5 5679 1 1 54 LYS CE C -8.763 -6.382 4.281 1.00 . A A . 54 LYS CE 1 1 5 5680 1 1 54 LYS CG C -9.751 -4.086 3.761 1.00 . A A . 54 LYS CG 1 1 5 5681 1 1 54 LYS H H -9.455 -2.373 1.412 1.00 . A A . 54 LYS H 1 1 5 5682 1 1 54 LYS HA H -11.394 -4.560 1.600 1.00 . A A . 54 LYS HA 1 1 5 5683 1 1 54 LYS HB2 H -10.912 -2.295 3.517 1.00 . A A . 54 LYS HB2 1 1 5 5684 1 1 54 LYS HB3 H -11.876 -3.748 3.767 1.00 . A A . 54 LYS HB3 1 1 5 5685 1 1 54 LYS HD2 H -10.748 -5.960 3.508 1.00 . A A . 54 LYS HD2 1 1 5 5686 1 1 54 LYS HD3 H -9.421 -5.646 2.354 1.00 . A A . 54 LYS HD3 1 1 5 5687 1 1 54 LYS HE2 H -7.737 -6.212 3.948 1.00 . A A . 54 LYS HE2 1 1 5 5688 1 1 54 LYS HE3 H -8.851 -6.030 5.311 1.00 . A A . 54 LYS HE3 1 1 5 5689 1 1 54 LYS HG2 H -8.861 -3.600 3.366 1.00 . A A . 54 LYS HG2 1 1 5 5690 1 1 54 LYS HG3 H -9.774 -3.971 4.838 1.00 . A A . 54 LYS HG3 1 1 5 5691 1 1 54 LYS HZ1 H -8.868 -8.316 3.415 1.00 . A A . 54 LYS HZ1 1 1 5 5692 1 1 54 LYS HZ2 H -8.469 -8.302 4.973 1.00 . A A . 54 LYS HZ2 1 1 5 5693 1 1 54 LYS HZ3 H -10.016 -8.013 4.544 1.00 . A A . 54 LYS HZ3 1 1 5 5694 1 1 54 LYS N N -9.989 -3.140 1.025 1.00 . A A . 54 LYS N 1 1 5 5695 1 1 54 LYS NZ N -9.054 -7.835 4.296 1.00 . A A . 54 LYS NZ 1 1 5 5696 1 1 54 LYS O O -13.178 -2.134 2.020 1.00 . A A . 54 LYS O 1 1 5 5697 1 1 55 SER C C -13.502 -2.470 -2.278 1.00 . A A . 55 SER C 1 1 5 5698 1 1 55 SER CA C -13.665 -2.032 -0.821 1.00 . A A . 55 SER CA 1 1 5 5699 1 1 55 SER CB C -13.656 -0.504 -0.656 1.00 . A A . 55 SER CB 1 1 5 5700 1 1 55 SER H H -11.938 -3.203 -0.636 1.00 . A A . 55 SER H 1 1 5 5701 1 1 55 SER HA H -14.613 -2.416 -0.442 1.00 . A A . 55 SER HA 1 1 5 5702 1 1 55 SER HB2 H -14.495 -0.089 -1.216 1.00 . A A . 55 SER HB2 1 1 5 5703 1 1 55 SER HB3 H -13.784 -0.240 0.395 1.00 . A A . 55 SER HB3 1 1 5 5704 1 1 55 SER HG H -11.690 -0.308 -0.708 1.00 . A A . 55 SER HG 1 1 5 5705 1 1 55 SER N N -12.579 -2.651 -0.084 1.00 . A A . 55 SER N 1 1 5 5706 1 1 55 SER O O -14.409 -3.061 -2.855 1.00 . A A . 55 SER O 1 1 5 5707 1 1 55 SER OG O -12.463 0.081 -1.143 1.00 . A A . 55 SER OG 1 1 5 5708 1 1 56 ASN C C -12.027 -4.222 -4.279 1.00 . A A . 56 ASN C 1 1 5 5709 1 1 56 ASN CA C -11.940 -2.694 -4.175 1.00 . A A . 56 ASN CA 1 1 5 5710 1 1 56 ASN CB C -10.527 -2.219 -4.547 1.00 . A A . 56 ASN CB 1 1 5 5711 1 1 56 ASN CG C -10.451 -0.724 -4.839 1.00 . A A . 56 ASN CG 1 1 5 5712 1 1 56 ASN H H -11.657 -1.662 -2.312 1.00 . A A . 56 ASN H 1 1 5 5713 1 1 56 ASN HA H -12.644 -2.270 -4.895 1.00 . A A . 56 ASN HA 1 1 5 5714 1 1 56 ASN HB2 H -9.822 -2.481 -3.761 1.00 . A A . 56 ASN HB2 1 1 5 5715 1 1 56 ASN HB3 H -10.222 -2.740 -5.457 1.00 . A A . 56 ASN HB3 1 1 5 5716 1 1 56 ASN HD21 H -9.979 -0.253 -2.900 1.00 . A A . 56 ASN HD21 1 1 5 5717 1 1 56 ASN HD22 H -10.115 1.087 -4.022 1.00 . A A . 56 ASN HD22 1 1 5 5718 1 1 56 ASN N N -12.308 -2.236 -2.838 1.00 . A A . 56 ASN N 1 1 5 5719 1 1 56 ASN ND2 N -10.131 0.096 -3.842 1.00 . A A . 56 ASN ND2 1 1 5 5720 1 1 56 ASN O O -12.737 -4.747 -5.131 1.00 . A A . 56 ASN O 1 1 5 5721 1 1 56 ASN OD1 O -10.654 -0.300 -5.972 1.00 . A A . 56 ASN OD1 1 1 5 5722 1 1 57 ASN C C -10.459 -6.797 -2.120 1.00 . A A . 57 ASN C 1 1 5 5723 1 1 57 ASN CA C -11.241 -6.396 -3.373 1.00 . A A . 57 ASN CA 1 1 5 5724 1 1 57 ASN CB C -10.582 -6.996 -4.623 1.00 . A A . 57 ASN CB 1 1 5 5725 1 1 57 ASN CG C -10.663 -8.522 -4.591 1.00 . A A . 57 ASN CG 1 1 5 5726 1 1 57 ASN H H -10.771 -4.452 -2.697 1.00 . A A . 57 ASN H 1 1 5 5727 1 1 57 ASN HA H -12.264 -6.769 -3.306 1.00 . A A . 57 ASN HA 1 1 5 5728 1 1 57 ASN HB2 H -11.082 -6.631 -5.520 1.00 . A A . 57 ASN HB2 1 1 5 5729 1 1 57 ASN HB3 H -9.535 -6.697 -4.672 1.00 . A A . 57 ASN HB3 1 1 5 5730 1 1 57 ASN HD21 H -11.751 -8.584 -6.311 1.00 . A A . 57 ASN HD21 1 1 5 5731 1 1 57 ASN HD22 H -11.386 -10.131 -5.563 1.00 . A A . 57 ASN HD22 1 1 5 5732 1 1 57 ASN N N -11.283 -4.938 -3.428 1.00 . A A . 57 ASN N 1 1 5 5733 1 1 57 ASN ND2 N -11.330 -9.124 -5.571 1.00 . A A . 57 ASN ND2 1 1 5 5734 1 1 57 ASN O O -9.258 -6.539 -2.034 1.00 . A A . 57 ASN O 1 1 5 5735 1 1 57 ASN OD1 O -10.157 -9.165 -3.676 1.00 . A A . 57 ASN OD1 1 1 5 5736 1 1 58 GLY C C -10.133 -9.046 0.382 1.00 . A A . 58 GLY C 1 1 5 5737 1 1 58 GLY CA C -10.577 -7.592 0.193 1.00 . A A . 58 GLY CA 1 1 5 5738 1 1 58 GLY H H -12.119 -7.577 -1.262 1.00 . A A . 58 GLY H 1 1 5 5739 1 1 58 GLY HA2 H -9.777 -6.886 0.398 1.00 . A A . 58 GLY HA2 1 1 5 5740 1 1 58 GLY HA3 H -11.366 -7.393 0.917 1.00 . A A . 58 GLY HA3 1 1 5 5741 1 1 58 GLY N N -11.144 -7.363 -1.125 1.00 . A A . 58 GLY N 1 1 5 5742 1 1 58 GLY O O -10.983 -9.873 0.706 1.00 . A A . 58 GLY O 1 1 5 5743 1 1 59 PRO C C -8.597 -10.938 2.136 1.00 . A A . 59 PRO C 1 1 5 5744 1 1 59 PRO CA C -8.357 -10.704 0.645 1.00 . A A . 59 PRO CA 1 1 5 5745 1 1 59 PRO CB C -6.871 -10.731 0.280 1.00 . A A . 59 PRO CB 1 1 5 5746 1 1 59 PRO CD C -7.715 -8.525 -0.100 1.00 . A A . 59 PRO CD 1 1 5 5747 1 1 59 PRO CG C -6.462 -9.263 0.378 1.00 . A A . 59 PRO CG 1 1 5 5748 1 1 59 PRO HA H -8.877 -11.489 0.091 1.00 . A A . 59 PRO HA 1 1 5 5749 1 1 59 PRO HB2 H -6.285 -11.374 0.939 1.00 . A A . 59 PRO HB2 1 1 5 5750 1 1 59 PRO HB3 H -6.761 -11.060 -0.754 1.00 . A A . 59 PRO HB3 1 1 5 5751 1 1 59 PRO HD2 H -7.739 -7.539 0.359 1.00 . A A . 59 PRO HD2 1 1 5 5752 1 1 59 PRO HD3 H -7.687 -8.432 -1.187 1.00 . A A . 59 PRO HD3 1 1 5 5753 1 1 59 PRO HG2 H -6.260 -9.015 1.421 1.00 . A A . 59 PRO HG2 1 1 5 5754 1 1 59 PRO HG3 H -5.591 -9.036 -0.239 1.00 . A A . 59 PRO HG3 1 1 5 5755 1 1 59 PRO N N -8.835 -9.381 0.271 1.00 . A A . 59 PRO N 1 1 5 5756 1 1 59 PRO O O -8.604 -9.995 2.934 1.00 . A A . 59 PRO O 1 1 5 5757 1 1 60 THR C C -8.100 -13.252 4.532 1.00 . A A . 60 THR C 1 1 5 5758 1 1 60 THR CA C -9.292 -12.665 3.780 1.00 . A A . 60 THR CA 1 1 5 5759 1 1 60 THR CB C -10.354 -13.741 3.506 1.00 . A A . 60 THR CB 1 1 5 5760 1 1 60 THR CG2 C -11.661 -13.103 3.021 1.00 . A A . 60 THR CG2 1 1 5 5761 1 1 60 THR H H -8.833 -12.922 1.777 1.00 . A A . 60 THR H 1 1 5 5762 1 1 60 THR HA H -9.726 -11.856 4.369 1.00 . A A . 60 THR HA 1 1 5 5763 1 1 60 THR HB H -10.555 -14.310 4.416 1.00 . A A . 60 THR HB 1 1 5 5764 1 1 60 THR HG1 H -10.593 -15.122 2.139 1.00 . A A . 60 THR HG1 1 1 5 5765 1 1 60 THR HG21 H -12.405 -13.879 2.837 1.00 . A A . 60 THR HG21 1 1 5 5766 1 1 60 THR HG22 H -12.045 -12.425 3.783 1.00 . A A . 60 THR HG22 1 1 5 5767 1 1 60 THR HG23 H -11.497 -12.544 2.099 1.00 . A A . 60 THR HG23 1 1 5 5768 1 1 60 THR N N -8.842 -12.200 2.485 1.00 . A A . 60 THR N 1 1 5 5769 1 1 60 THR O O -7.687 -12.740 5.570 1.00 . A A . 60 THR O 1 1 5 5770 1 1 60 THR OG1 O -9.863 -14.599 2.485 1.00 . A A . 60 THR OG1 1 1 5 5771 1 1 61 LYS C C -5.109 -14.363 4.378 1.00 . A A . 61 LYS C 1 1 5 5772 1 1 61 LYS CA C -6.444 -15.097 4.562 1.00 . A A . 61 LYS CA 1 1 5 5773 1 1 61 LYS CB C -6.403 -16.497 3.923 1.00 . A A . 61 LYS CB 1 1 5 5774 1 1 61 LYS CD C -7.644 -17.857 5.680 1.00 . A A . 61 LYS CD 1 1 5 5775 1 1 61 LYS CE C -8.722 -18.933 5.880 1.00 . A A . 61 LYS CE 1 1 5 5776 1 1 61 LYS CG C -7.632 -17.369 4.222 1.00 . A A . 61 LYS CG 1 1 5 5777 1 1 61 LYS H H -7.962 -14.637 3.106 1.00 . A A . 61 LYS H 1 1 5 5778 1 1 61 LYS HA H -6.603 -15.204 5.636 1.00 . A A . 61 LYS HA 1 1 5 5779 1 1 61 LYS HB2 H -6.318 -16.377 2.842 1.00 . A A . 61 LYS HB2 1 1 5 5780 1 1 61 LYS HB3 H -5.515 -17.030 4.269 1.00 . A A . 61 LYS HB3 1 1 5 5781 1 1 61 LYS HD2 H -6.662 -18.277 5.914 1.00 . A A . 61 LYS HD2 1 1 5 5782 1 1 61 LYS HD3 H -7.832 -17.009 6.340 1.00 . A A . 61 LYS HD3 1 1 5 5783 1 1 61 LYS HE2 H -9.702 -18.506 5.653 1.00 . A A . 61 LYS HE2 1 1 5 5784 1 1 61 LYS HE3 H -8.537 -19.759 5.191 1.00 . A A . 61 LYS HE3 1 1 5 5785 1 1 61 LYS HG2 H -8.548 -16.824 3.992 1.00 . A A . 61 LYS HG2 1 1 5 5786 1 1 61 LYS HG3 H -7.574 -18.236 3.560 1.00 . A A . 61 LYS HG3 1 1 5 5787 1 1 61 LYS HZ1 H -7.838 -19.881 7.481 1.00 . A A . 61 LYS HZ1 1 1 5 5788 1 1 61 LYS HZ2 H -8.924 -18.724 7.921 1.00 . A A . 61 LYS HZ2 1 1 5 5789 1 1 61 LYS HZ3 H -9.448 -20.172 7.349 1.00 . A A . 61 LYS HZ3 1 1 5 5790 1 1 61 LYS N N -7.543 -14.333 3.982 1.00 . A A . 61 LYS N 1 1 5 5791 1 1 61 LYS NZ N -8.731 -19.463 7.260 1.00 . A A . 61 LYS NZ 1 1 5 5792 1 1 61 LYS O O -4.166 -14.921 3.823 1.00 . A A . 61 LYS O 1 1 5 5793 1 1 62 CYS C C -3.394 -12.271 3.269 1.00 . A A . 62 CYS C 1 1 5 5794 1 1 62 CYS CA C -3.874 -12.246 4.724 1.00 . A A . 62 CYS CA 1 1 5 5795 1 1 62 CYS CB C -2.822 -12.618 5.748 1.00 . A A . 62 CYS CB 1 1 5 5796 1 1 62 CYS H H -5.859 -12.744 5.310 1.00 . A A . 62 CYS H 1 1 5 5797 1 1 62 CYS HA H -4.218 -11.233 4.912 1.00 . A A . 62 CYS HA 1 1 5 5798 1 1 62 CYS HB2 H -2.443 -13.618 5.535 1.00 . A A . 62 CYS HB2 1 1 5 5799 1 1 62 CYS HB3 H -1.992 -11.911 5.710 1.00 . A A . 62 CYS HB3 1 1 5 5800 1 1 62 CYS N N -5.034 -13.119 4.859 1.00 . A A . 62 CYS N 1 1 5 5801 1 1 62 CYS O O -4.200 -12.012 2.377 1.00 . A A . 62 CYS O 1 1 5 5802 1 1 62 CYS SG S -3.517 -12.643 7.424 1.00 . A A . 62 CYS SG 1 1 5 5803 1 1 63 GLY C C -1.432 -12.016 0.679 1.00 . A A . 63 GLY C 1 1 5 5804 1 1 63 GLY CA C -1.667 -13.105 1.724 1.00 . A A . 63 GLY CA 1 1 5 5805 1 1 63 GLY H H -1.499 -12.713 3.795 1.00 . A A . 63 GLY H 1 1 5 5806 1 1 63 GLY HA2 H -0.731 -13.642 1.882 1.00 . A A . 63 GLY HA2 1 1 5 5807 1 1 63 GLY HA3 H -2.401 -13.811 1.333 1.00 . A A . 63 GLY HA3 1 1 5 5808 1 1 63 GLY N N -2.123 -12.595 3.014 1.00 . A A . 63 GLY N 1 1 5 5809 1 1 63 GLY O O -0.414 -12.025 -0.003 1.00 . A A . 63 GLY O 1 1 5 5810 1 1 64 GLY C C -0.990 -9.357 -0.568 1.00 . A A . 64 GLY C 1 1 5 5811 1 1 64 GLY CA C -2.368 -9.998 -0.416 1.00 . A A . 64 GLY CA 1 1 5 5812 1 1 64 GLY H H -3.218 -11.208 1.105 1.00 . A A . 64 GLY H 1 1 5 5813 1 1 64 GLY HA2 H -2.726 -10.357 -1.381 1.00 . A A . 64 GLY HA2 1 1 5 5814 1 1 64 GLY HA3 H -3.052 -9.238 -0.034 1.00 . A A . 64 GLY HA3 1 1 5 5815 1 1 64 GLY N N -2.381 -11.086 0.547 1.00 . A A . 64 GLY N 1 1 5 5816 1 1 64 GLY O O -0.461 -9.239 -1.669 1.00 . A A . 64 GLY O 1 1 5 5817 1 1 65 CYS C C 1.942 -8.748 1.067 1.00 . A A . 65 CYS C 1 1 5 5818 1 1 65 CYS CA C 0.695 -7.999 0.607 1.00 . A A . 65 CYS CA 1 1 5 5819 1 1 65 CYS CB C 0.337 -6.866 1.528 1.00 . A A . 65 CYS CB 1 1 5 5820 1 1 65 CYS H H -0.965 -9.043 1.408 1.00 . A A . 65 CYS H 1 1 5 5821 1 1 65 CYS HA H 0.904 -7.585 -0.380 1.00 . A A . 65 CYS HA 1 1 5 5822 1 1 65 CYS HB2 H 0.304 -7.264 2.539 1.00 . A A . 65 CYS HB2 1 1 5 5823 1 1 65 CYS HB3 H 1.086 -6.084 1.487 1.00 . A A . 65 CYS HB3 1 1 5 5824 1 1 65 CYS N N -0.445 -8.901 0.558 1.00 . A A . 65 CYS N 1 1 5 5825 1 1 65 CYS O O 2.980 -8.700 0.408 1.00 . A A . 65 CYS O 1 1 5 5826 1 1 65 CYS SG S -1.284 -6.177 1.052 1.00 . A A . 65 CYS SG 1 1 5 5827 1 1 66 HIS C C 3.026 -11.501 1.737 1.00 . A A . 66 HIS C 1 1 5 5828 1 1 66 HIS CA C 2.905 -10.314 2.678 1.00 . A A . 66 HIS CA 1 1 5 5829 1 1 66 HIS CB C 2.620 -10.807 4.103 1.00 . A A . 66 HIS CB 1 1 5 5830 1 1 66 HIS CD2 C 1.406 -9.285 5.764 1.00 . A A . 66 HIS CD2 1 1 5 5831 1 1 66 HIS CE1 C 2.997 -7.868 6.196 1.00 . A A . 66 HIS CE1 1 1 5 5832 1 1 66 HIS CG C 2.531 -9.694 5.103 1.00 . A A . 66 HIS CG 1 1 5 5833 1 1 66 HIS H H 0.963 -9.454 2.694 1.00 . A A . 66 HIS H 1 1 5 5834 1 1 66 HIS HA H 3.842 -9.761 2.676 1.00 . A A . 66 HIS HA 1 1 5 5835 1 1 66 HIS HB2 H 1.710 -11.408 4.116 1.00 . A A . 66 HIS HB2 1 1 5 5836 1 1 66 HIS HB3 H 3.429 -11.478 4.394 1.00 . A A . 66 HIS HB3 1 1 5 5837 1 1 66 HIS HD1 H 4.382 -8.673 4.823 1.00 . A A . 66 HIS HD1 1 1 5 5838 1 1 66 HIS HD2 H 0.425 -9.715 5.722 1.00 . A A . 66 HIS HD2 1 1 5 5839 1 1 66 HIS HE1 H 3.508 -6.990 6.543 1.00 . A A . 66 HIS HE1 1 1 5 5840 1 1 66 HIS N N 1.842 -9.448 2.202 1.00 . A A . 66 HIS N 1 1 5 5841 1 1 66 HIS ND1 N 3.528 -8.793 5.372 1.00 . A A . 66 HIS ND1 1 1 5 5842 1 1 66 HIS NE2 N 1.702 -8.110 6.448 1.00 . A A . 66 HIS NE2 1 1 5 5843 1 1 66 HIS O O 2.092 -12.292 1.635 1.00 . A A . 66 HIS O 1 1 5 5844 1 1 67 ILE C C 4.826 -13.990 1.043 1.00 . A A . 67 ILE C 1 1 5 5845 1 1 67 ILE CA C 4.417 -12.780 0.191 1.00 . A A . 67 ILE CA 1 1 5 5846 1 1 67 ILE CB C 5.456 -12.378 -0.879 1.00 . A A . 67 ILE CB 1 1 5 5847 1 1 67 ILE CD1 C 5.937 -9.847 -0.906 1.00 . A A . 67 ILE CD1 1 1 5 5848 1 1 67 ILE CG1 C 5.146 -11.008 -1.523 1.00 . A A . 67 ILE CG1 1 1 5 5849 1 1 67 ILE CG2 C 5.462 -13.429 -2.000 1.00 . A A . 67 ILE CG2 1 1 5 5850 1 1 67 ILE H H 4.950 -11.042 1.292 1.00 . A A . 67 ILE H 1 1 5 5851 1 1 67 ILE HA H 3.486 -13.023 -0.326 1.00 . A A . 67 ILE HA 1 1 5 5852 1 1 67 ILE HB H 6.450 -12.339 -0.429 1.00 . A A . 67 ILE HB 1 1 5 5853 1 1 67 ILE HD11 H 5.736 -8.943 -1.479 1.00 . A A . 67 ILE HD11 1 1 5 5854 1 1 67 ILE HD12 H 5.652 -9.667 0.129 1.00 . A A . 67 ILE HD12 1 1 5 5855 1 1 67 ILE HD13 H 7.006 -10.057 -0.953 1.00 . A A . 67 ILE HD13 1 1 5 5856 1 1 67 ILE HG12 H 5.426 -11.034 -2.577 1.00 . A A . 67 ILE HG12 1 1 5 5857 1 1 67 ILE HG13 H 4.076 -10.796 -1.472 1.00 . A A . 67 ILE HG13 1 1 5 5858 1 1 67 ILE HG21 H 5.661 -14.424 -1.605 1.00 . A A . 67 ILE HG21 1 1 5 5859 1 1 67 ILE HG22 H 4.494 -13.439 -2.501 1.00 . A A . 67 ILE HG22 1 1 5 5860 1 1 67 ILE HG23 H 6.239 -13.190 -2.728 1.00 . A A . 67 ILE HG23 1 1 5 5861 1 1 67 ILE N N 4.182 -11.667 1.096 1.00 . A A . 67 ILE N 1 1 5 5862 1 1 67 ILE O O 5.902 -14.562 0.860 1.00 . A A . 67 ILE O 1 1 5 5863 1 1 68 LYS C C 3.117 -15.303 4.065 1.00 . A A . 68 LYS C 1 1 5 5864 1 1 68 LYS CA C 4.315 -15.249 3.120 1.00 . A A . 68 LYS CA 1 1 5 5865 1 1 68 LYS CB C 5.530 -14.730 3.908 1.00 . A A . 68 LYS CB 1 1 5 5866 1 1 68 LYS CD C 7.399 -16.166 3.042 1.00 . A A . 68 LYS CD 1 1 5 5867 1 1 68 LYS CE C 8.483 -17.208 3.341 1.00 . A A . 68 LYS CE 1 1 5 5868 1 1 68 LYS CG C 6.526 -15.835 4.265 1.00 . A A . 68 LYS CG 1 1 5 5869 1 1 68 LYS H H 3.106 -13.854 2.143 1.00 . A A . 68 LYS H 1 1 5 5870 1 1 68 LYS HA H 4.497 -16.239 2.701 1.00 . A A . 68 LYS HA 1 1 5 5871 1 1 68 LYS HB2 H 6.043 -13.957 3.342 1.00 . A A . 68 LYS HB2 1 1 5 5872 1 1 68 LYS HB3 H 5.180 -14.269 4.834 1.00 . A A . 68 LYS HB3 1 1 5 5873 1 1 68 LYS HD2 H 6.760 -16.559 2.248 1.00 . A A . 68 LYS HD2 1 1 5 5874 1 1 68 LYS HD3 H 7.857 -15.251 2.661 1.00 . A A . 68 LYS HD3 1 1 5 5875 1 1 68 LYS HE2 H 8.011 -18.139 3.662 1.00 . A A . 68 LYS HE2 1 1 5 5876 1 1 68 LYS HE3 H 9.034 -17.403 2.418 1.00 . A A . 68 LYS HE3 1 1 5 5877 1 1 68 LYS HG2 H 7.131 -15.454 5.086 1.00 . A A . 68 LYS HG2 1 1 5 5878 1 1 68 LYS HG3 H 5.973 -16.714 4.606 1.00 . A A . 68 LYS HG3 1 1 5 5879 1 1 68 LYS HZ1 H 9.851 -15.873 4.092 1.00 . A A . 68 LYS HZ1 1 1 5 5880 1 1 68 LYS HZ2 H 8.946 -16.615 5.251 1.00 . A A . 68 LYS HZ2 1 1 5 5881 1 1 68 LYS HZ3 H 10.158 -17.437 4.504 1.00 . A A . 68 LYS HZ3 1 1 5 5882 1 1 68 LYS N N 3.997 -14.334 2.036 1.00 . A A . 68 LYS N 1 1 5 5883 1 1 68 LYS NZ N 9.431 -16.747 4.375 1.00 . A A . 68 LYS NZ 1 1 5 5884 1 1 68 LYS O O 3.028 -16.298 4.816 1.00 . A A . 68 LYS O 1 1 5 5885 1 1 68 LYS OXT O 2.363 -14.303 4.076 1.00 . A A . 68 LYS OXT 1 1 5 5886 2 2 1 HEC C1A C 7.503 8.101 -3.659 1.00 . B A . 69 HEC C1A 1 1 5 5887 2 2 1 HEC C1B C 4.930 9.415 -6.784 1.00 . B A . 69 HEC C1B 1 1 5 5888 2 2 1 HEC C1C C 2.024 6.532 -5.584 1.00 . B A . 69 HEC C1C 1 1 5 5889 2 2 1 HEC C1D C 4.282 5.841 -2.069 1.00 . B A . 69 HEC C1D 1 1 5 5890 2 2 1 HEC C2A C 8.610 8.971 -3.994 1.00 . B A . 69 HEC C2A 1 1 5 5891 2 2 1 HEC C2B C 4.225 9.894 -7.945 1.00 . B A . 69 HEC C2B 1 1 5 5892 2 2 1 HEC C2C C 0.863 5.766 -5.198 1.00 . B A . 69 HEC C2C 1 1 5 5893 2 2 1 HEC C2D C 4.978 5.386 -0.895 1.00 . B A . 69 HEC C2D 1 1 5 5894 2 2 1 HEC C3A C 8.172 9.806 -4.990 1.00 . B A . 69 HEC C3A 1 1 5 5895 2 2 1 HEC C3B C 3.128 9.081 -8.117 1.00 . B A . 69 HEC C3B 1 1 5 5896 2 2 1 HEC C3C C 1.054 5.358 -3.895 1.00 . B A . 69 HEC C3C 1 1 5 5897 2 2 1 HEC C3D C 6.267 5.837 -0.985 1.00 . B A . 69 HEC C3D 1 1 5 5898 2 2 1 HEC C4A C 6.839 9.383 -5.341 1.00 . B A . 69 HEC C4A 1 1 5 5899 2 2 1 HEC C4B C 3.134 8.125 -7.025 1.00 . B A . 69 HEC C4B 1 1 5 5900 2 2 1 HEC C4C C 2.382 5.801 -3.526 1.00 . B A . 69 HEC C4C 1 1 5 5901 2 2 1 HEC C4D C 6.364 6.573 -2.220 1.00 . B A . 69 HEC C4D 1 1 5 5902 2 2 1 HEC CAA C 9.969 9.036 -3.331 1.00 . B A . 69 HEC CAA 1 1 5 5903 2 2 1 HEC CAB C 1.974 9.356 -9.059 1.00 . B A . 69 HEC CAB 1 1 5 5904 2 2 1 HEC CAC C 0.005 4.765 -2.955 1.00 . B A . 69 HEC CAC 1 1 5 5905 2 2 1 HEC CAD C 7.318 5.772 0.099 1.00 . B A . 69 HEC CAD 1 1 5 5906 2 2 1 HEC CBA C 11.122 8.549 -4.215 1.00 . B A . 69 HEC CBA 1 1 5 5907 2 2 1 HEC CBB C 2.341 9.488 -10.544 1.00 . B A . 69 HEC CBB 1 1 5 5908 2 2 1 HEC CBC C -0.447 3.339 -3.286 1.00 . B A . 69 HEC CBC 1 1 5 5909 2 2 1 HEC CBD C 8.221 4.536 0.080 1.00 . B A . 69 HEC CBD 1 1 5 5910 2 2 1 HEC CGA C 12.478 8.670 -3.508 1.00 . B A . 69 HEC CGA 1 1 5 5911 2 2 1 HEC CGD C 9.682 4.972 -0.014 1.00 . B A . 69 HEC CGD 1 1 5 5912 2 2 1 HEC CHA C 7.498 7.231 -2.599 1.00 . B A . 69 HEC CHA 1 1 5 5913 2 2 1 HEC CHB C 6.126 9.948 -6.360 1.00 . B A . 69 HEC CHB 1 1 5 5914 2 2 1 HEC CHC C 2.115 7.220 -6.772 1.00 . B A . 69 HEC CHC 1 1 5 5915 2 2 1 HEC CHD C 2.979 5.512 -2.323 1.00 . B A . 69 HEC CHD 1 1 5 5916 2 2 1 HEC CMA C 8.951 10.924 -5.643 1.00 . B A . 69 HEC CMA 1 1 5 5917 2 2 1 HEC CMB C 4.619 11.076 -8.808 1.00 . B A . 69 HEC CMB 1 1 5 5918 2 2 1 HEC CMC C -0.387 5.612 -6.031 1.00 . B A . 69 HEC CMC 1 1 5 5919 2 2 1 HEC CMD C 4.396 4.538 0.202 1.00 . B A . 69 HEC CMD 1 1 5 5920 2 2 1 HEC FE FE 4.691 7.453 -4.560 1.00 . B A . 69 HEC FE 1 1 5 5921 2 2 1 HEC HAA1 H 10.175 10.062 -3.031 1.00 . B A . 69 HEC HAA1 1 1 5 5922 2 2 1 HEC HAA2 H 10.000 8.418 -2.438 1.00 . B A . 69 HEC HAA2 1 1 5 5923 2 2 1 HEC HAB H 1.283 8.523 -9.024 1.00 . B A . 69 HEC HAB 1 1 5 5924 2 2 1 HEC HAC H 0.386 4.710 -1.936 1.00 . B A . 69 HEC HAC 1 1 5 5925 2 2 1 HEC HAD1 H 7.965 6.631 0.005 1.00 . B A . 69 HEC HAD1 1 1 5 5926 2 2 1 HEC HAD2 H 6.839 5.866 1.059 1.00 . B A . 69 HEC HAD2 1 1 5 5927 2 2 1 HEC HBA1 H 10.942 7.504 -4.477 1.00 . B A . 69 HEC HBA1 1 1 5 5928 2 2 1 HEC HBA2 H 11.150 9.133 -5.135 1.00 . B A . 69 HEC HBA2 1 1 5 5929 2 2 1 HEC HBB1 H 2.852 10.422 -10.758 1.00 . B A . 69 HEC HBB1 1 1 5 5930 2 2 1 HEC HBB2 H 2.978 8.653 -10.838 1.00 . B A . 69 HEC HBB2 1 1 5 5931 2 2 1 HEC HBB3 H 1.432 9.450 -11.147 1.00 . B A . 69 HEC HBB3 1 1 5 5932 2 2 1 HEC HBC1 H -1.107 3.329 -4.147 1.00 . B A . 69 HEC HBC1 1 1 5 5933 2 2 1 HEC HBC2 H 0.416 2.703 -3.485 1.00 . B A . 69 HEC HBC2 1 1 5 5934 2 2 1 HEC HBC3 H -0.997 2.925 -2.442 1.00 . B A . 69 HEC HBC3 1 1 5 5935 2 2 1 HEC HBD1 H 8.093 3.993 1.014 1.00 . B A . 69 HEC HBD1 1 1 5 5936 2 2 1 HEC HBD2 H 7.961 3.881 -0.753 1.00 . B A . 69 HEC HBD2 1 1 5 5937 2 2 1 HEC HHA H 8.362 7.117 -1.969 1.00 . B A . 69 HEC HHA 1 1 5 5938 2 2 1 HEC HHB H 6.562 10.766 -6.894 1.00 . B A . 69 HEC HHB 1 1 5 5939 2 2 1 HEC HHC H 1.293 7.133 -7.454 1.00 . B A . 69 HEC HHC 1 1 5 5940 2 2 1 HEC HHD H 2.453 4.924 -1.598 1.00 . B A . 69 HEC HHD 1 1 5 5941 2 2 1 HEC HMA1 H 8.359 11.839 -5.632 1.00 . B A . 69 HEC HMA1 1 1 5 5942 2 2 1 HEC HMA2 H 9.884 11.107 -5.112 1.00 . B A . 69 HEC HMA2 1 1 5 5943 2 2 1 HEC HMA3 H 9.180 10.648 -6.672 1.00 . B A . 69 HEC HMA3 1 1 5 5944 2 2 1 HEC HMB1 H 3.728 11.607 -9.133 1.00 . B A . 69 HEC HMB1 1 1 5 5945 2 2 1 HEC HMB2 H 5.215 11.792 -8.248 1.00 . B A . 69 HEC HMB2 1 1 5 5946 2 2 1 HEC HMB3 H 5.178 10.725 -9.673 1.00 . B A . 69 HEC HMB3 1 1 5 5947 2 2 1 HEC HMC1 H -0.763 6.597 -6.306 1.00 . B A . 69 HEC HMC1 1 1 5 5948 2 2 1 HEC HMC2 H -0.140 5.043 -6.922 1.00 . B A . 69 HEC HMC2 1 1 5 5949 2 2 1 HEC HMC3 H -1.167 5.093 -5.484 1.00 . B A . 69 HEC HMC3 1 1 5 5950 2 2 1 HEC HMD1 H 3.680 5.149 0.744 1.00 . B A . 69 HEC HMD1 1 1 5 5951 2 2 1 HEC HMD2 H 3.886 3.673 -0.218 1.00 . B A . 69 HEC HMD2 1 1 5 5952 2 2 1 HEC HMD3 H 5.181 4.191 0.869 1.00 . B A . 69 HEC HMD3 1 1 5 5953 2 2 1 HEC NA N 6.477 8.376 -4.516 1.00 . B A . 69 HEC NA 1 1 5 5954 2 2 1 HEC NB N 4.235 8.377 -6.256 1.00 . B A . 69 HEC NB 1 1 5 5955 2 2 1 HEC NC N 2.906 6.518 -4.562 1.00 . B A . 69 HEC NC 1 1 5 5956 2 2 1 HEC ND N 5.150 6.557 -2.823 1.00 . B A . 69 HEC ND 1 1 5 5957 2 2 1 HEC O1A O 12.502 9.253 -2.399 1.00 . B A . 69 HEC O1A 1 1 5 5958 2 2 1 HEC O1D O 10.196 5.021 -1.148 1.00 . B A . 69 HEC O1D 1 1 5 5959 2 2 1 HEC O2A O 13.468 8.188 -4.101 1.00 . B A . 69 HEC O2A 1 1 5 5960 2 2 1 HEC O2D O 10.213 5.376 1.048 1.00 . B A . 69 HEC O2D 1 1 5 5961 3 2 1 HEC C1A C -2.740 -4.171 -4.560 1.00 . C A . 70 HEC C1A 1 1 5 5962 3 2 1 HEC C1B C -0.733 -2.467 -1.170 1.00 . C A . 70 HEC C1B 1 1 5 5963 3 2 1 HEC C1C C -3.150 1.035 -1.497 1.00 . C A . 70 HEC C1C 1 1 5 5964 3 2 1 HEC C1D C -5.256 -0.757 -4.785 1.00 . C A . 70 HEC C1D 1 1 5 5965 3 2 1 HEC C2A C -2.030 -5.431 -4.536 1.00 . C A . 70 HEC C2A 1 1 5 5966 3 2 1 HEC C2B C 0.004 -2.062 -0.001 1.00 . C A . 70 HEC C2B 1 1 5 5967 3 2 1 HEC C2C C -3.928 2.255 -1.480 1.00 . C A . 70 HEC C2C 1 1 5 5968 3 2 1 HEC C2D C -6.042 -1.185 -5.919 1.00 . C A . 70 HEC C2D 1 1 5 5969 3 2 1 HEC C3A C -1.154 -5.373 -3.481 1.00 . C A . 70 HEC C3A 1 1 5 5970 3 2 1 HEC C3B C -0.393 -0.782 0.316 1.00 . C A . 70 HEC C3B 1 1 5 5971 3 2 1 HEC C3C C -4.941 2.104 -2.400 1.00 . C A . 70 HEC C3C 1 1 5 5972 3 2 1 HEC C3D C -5.528 -2.391 -6.329 1.00 . C A . 70 HEC C3D 1 1 5 5973 3 2 1 HEC C4A C -1.319 -4.089 -2.848 1.00 . C A . 70 HEC C4A 1 1 5 5974 3 2 1 HEC C4B C -1.402 -0.409 -0.657 1.00 . C A . 70 HEC C4B 1 1 5 5975 3 2 1 HEC C4C C -4.684 0.864 -3.095 1.00 . C A . 70 HEC C4C 1 1 5 5976 3 2 1 HEC C4D C -4.440 -2.713 -5.430 1.00 . C A . 70 HEC C4D 1 1 5 5977 3 2 1 HEC CAA C -2.294 -6.649 -5.399 1.00 . C A . 70 HEC CAA 1 1 5 5978 3 2 1 HEC CAB C 0.118 0.065 1.475 1.00 . C A . 70 HEC CAB 1 1 5 5979 3 2 1 HEC CAC C -6.246 2.891 -2.459 1.00 . C A . 70 HEC CAC 1 1 5 5980 3 2 1 HEC CAD C -6.076 -3.241 -7.459 1.00 . C A . 70 HEC CAD 1 1 5 5981 3 2 1 HEC CBA C -3.288 -7.618 -4.743 1.00 . C A . 70 HEC CBA 1 1 5 5982 3 2 1 HEC CBB C 1.636 0.290 1.424 1.00 . C A . 70 HEC CBB 1 1 5 5983 3 2 1 HEC CBC C -6.175 4.272 -3.103 1.00 . C A . 70 HEC CBC 1 1 5 5984 3 2 1 HEC CBD C -5.462 -2.945 -8.840 1.00 . C A . 70 HEC CBD 1 1 5 5985 3 2 1 HEC CGA C -3.517 -8.902 -5.551 1.00 . C A . 70 HEC CGA 1 1 5 5986 3 2 1 HEC CGD C -4.169 -3.716 -9.142 1.00 . C A . 70 HEC CGD 1 1 5 5987 3 2 1 HEC CHA C -3.725 -3.876 -5.471 1.00 . C A . 70 HEC CHA 1 1 5 5988 3 2 1 HEC CHB C -0.581 -3.698 -1.754 1.00 . C A . 70 HEC CHB 1 1 5 5989 3 2 1 HEC CHC C -2.125 0.764 -0.610 1.00 . C A . 70 HEC CHC 1 1 5 5990 3 2 1 HEC CHD C -5.470 0.423 -4.131 1.00 . C A . 70 HEC CHD 1 1 5 5991 3 2 1 HEC CMA C -0.213 -6.456 -3.025 1.00 . C A . 70 HEC CMA 1 1 5 5992 3 2 1 HEC CMB C 0.930 -2.959 0.784 1.00 . C A . 70 HEC CMB 1 1 5 5993 3 2 1 HEC CMC C -3.678 3.480 -0.627 1.00 . C A . 70 HEC CMC 1 1 5 5994 3 2 1 HEC CMD C -7.177 -0.426 -6.577 1.00 . C A . 70 HEC CMD 1 1 5 5995 3 2 1 HEC FE FE -2.916 -1.580 -3.027 1.00 . C A . 70 HEC FE 1 1 5 5996 3 2 1 HEC HAA1 H -2.678 -6.364 -6.378 1.00 . C A . 70 HEC HAA1 1 1 5 5997 3 2 1 HEC HAA2 H -1.360 -7.180 -5.582 1.00 . C A . 70 HEC HAA2 1 1 5 5998 3 2 1 HEC HAB H -0.321 1.057 1.432 1.00 . C A . 70 HEC HAB 1 1 5 5999 3 2 1 HEC HAC H -6.977 2.375 -3.073 1.00 . C A . 70 HEC HAC 1 1 5 6000 3 2 1 HEC HAD1 H -5.962 -4.301 -7.228 1.00 . C A . 70 HEC HAD1 1 1 5 6001 3 2 1 HEC HAD2 H -7.145 -3.057 -7.533 1.00 . C A . 70 HEC HAD2 1 1 5 6002 3 2 1 HEC HBA1 H -2.911 -7.894 -3.756 1.00 . C A . 70 HEC HBA1 1 1 5 6003 3 2 1 HEC HBA2 H -4.238 -7.096 -4.612 1.00 . C A . 70 HEC HBA2 1 1 5 6004 3 2 1 HEC HBB1 H 1.905 0.813 0.505 1.00 . C A . 70 HEC HBB1 1 1 5 6005 3 2 1 HEC HBB2 H 1.949 0.887 2.275 1.00 . C A . 70 HEC HBB2 1 1 5 6006 3 2 1 HEC HBB3 H 2.189 -0.644 1.470 1.00 . C A . 70 HEC HBB3 1 1 5 6007 3 2 1 HEC HBC1 H -6.003 4.116 -4.169 1.00 . C A . 70 HEC HBC1 1 1 5 6008 3 2 1 HEC HBC2 H -7.133 4.779 -2.985 1.00 . C A . 70 HEC HBC2 1 1 5 6009 3 2 1 HEC HBC3 H -5.385 4.886 -2.674 1.00 . C A . 70 HEC HBC3 1 1 5 6010 3 2 1 HEC HBD1 H -6.193 -3.236 -9.596 1.00 . C A . 70 HEC HBD1 1 1 5 6011 3 2 1 HEC HBD2 H -5.293 -1.870 -8.935 1.00 . C A . 70 HEC HBD2 1 1 5 6012 3 2 1 HEC HHA H -3.950 -4.595 -6.241 1.00 . C A . 70 HEC HHA 1 1 5 6013 3 2 1 HEC HHB H 0.147 -4.379 -1.346 1.00 . C A . 70 HEC HHB 1 1 5 6014 3 2 1 HEC HHC H -1.958 1.445 0.207 1.00 . C A . 70 HEC HHC 1 1 5 6015 3 2 1 HEC HHD H -6.263 1.052 -4.468 1.00 . C A . 70 HEC HHD 1 1 5 6016 3 2 1 HEC HMA1 H -0.340 -7.368 -3.606 1.00 . C A . 70 HEC HMA1 1 1 5 6017 3 2 1 HEC HMA2 H 0.815 -6.109 -3.114 1.00 . C A . 70 HEC HMA2 1 1 5 6018 3 2 1 HEC HMA3 H -0.437 -6.679 -1.985 1.00 . C A . 70 HEC HMA3 1 1 5 6019 3 2 1 HEC HMB1 H 0.442 -3.918 0.923 1.00 . C A . 70 HEC HMB1 1 1 5 6020 3 2 1 HEC HMB2 H 1.851 -3.126 0.232 1.00 . C A . 70 HEC HMB2 1 1 5 6021 3 2 1 HEC HMB3 H 1.147 -2.546 1.761 1.00 . C A . 70 HEC HMB3 1 1 5 6022 3 2 1 HEC HMC1 H -4.412 3.523 0.176 1.00 . C A . 70 HEC HMC1 1 1 5 6023 3 2 1 HEC HMC2 H -2.678 3.479 -0.204 1.00 . C A . 70 HEC HMC2 1 1 5 6024 3 2 1 HEC HMC3 H -3.770 4.376 -1.239 1.00 . C A . 70 HEC HMC3 1 1 5 6025 3 2 1 HEC HMD1 H -8.007 -1.099 -6.782 1.00 . C A . 70 HEC HMD1 1 1 5 6026 3 2 1 HEC HMD2 H -7.558 0.385 -5.955 1.00 . C A . 70 HEC HMD2 1 1 5 6027 3 2 1 HEC HMD3 H -6.817 -0.006 -7.516 1.00 . C A . 70 HEC HMD3 1 1 5 6028 3 2 1 HEC NA N -2.279 -3.400 -3.518 1.00 . C A . 70 HEC NA 1 1 5 6029 3 2 1 HEC NB N -1.572 -1.460 -1.519 1.00 . C A . 70 HEC NB 1 1 5 6030 3 2 1 HEC NC N -3.621 0.247 -2.507 1.00 . C A . 70 HEC NC 1 1 5 6031 3 2 1 HEC ND N -4.322 -1.698 -4.527 1.00 . C A . 70 HEC ND 1 1 5 6032 3 2 1 HEC O1A O -4.621 -9.474 -5.410 1.00 . C A . 70 HEC O1A 1 1 5 6033 3 2 1 HEC O1D O -4.005 -4.823 -8.592 1.00 . C A . 70 HEC O1D 1 1 5 6034 3 2 1 HEC O2A O -2.582 -9.307 -6.278 1.00 . C A . 70 HEC O2A 1 1 5 6035 3 2 1 HEC O2D O -3.380 -3.217 -9.982 1.00 . C A . 70 HEC O2D 1 1 5 6036 4 2 1 HEC C1A C 2.555 -6.361 9.481 1.00 . D A . 71 HEC C1A 1 1 5 6037 4 2 1 HEC C1B C -0.534 -9.311 9.116 1.00 . D A . 71 HEC C1B 1 1 5 6038 4 2 1 HEC C1C C -1.634 -7.689 5.348 1.00 . D A . 71 HEC C1C 1 1 5 6039 4 2 1 HEC C1D C 1.331 -4.597 5.786 1.00 . D A . 71 HEC C1D 1 1 5 6040 4 2 1 HEC C2A C 3.091 -6.866 10.727 1.00 . D A . 71 HEC C2A 1 1 5 6041 4 2 1 HEC C2B C -1.503 -10.378 9.139 1.00 . D A . 71 HEC C2B 1 1 5 6042 4 2 1 HEC C2C C -2.151 -7.241 4.081 1.00 . D A . 71 HEC C2C 1 1 5 6043 4 2 1 HEC C2D C 2.335 -3.549 5.763 1.00 . D A . 71 HEC C2D 1 1 5 6044 4 2 1 HEC C3A C 2.255 -7.863 11.154 1.00 . D A . 71 HEC C3A 1 1 5 6045 4 2 1 HEC C3B C -2.278 -10.248 8.010 1.00 . D A . 71 HEC C3B 1 1 5 6046 4 2 1 HEC C3C C -1.524 -6.053 3.783 1.00 . D A . 71 HEC C3C 1 1 5 6047 4 2 1 HEC C3D C 3.107 -3.702 6.887 1.00 . D A . 71 HEC C3D 1 1 5 6048 4 2 1 HEC C4A C 1.288 -8.087 10.103 1.00 . D A . 71 HEC C4A 1 1 5 6049 4 2 1 HEC C4B C -1.664 -9.206 7.211 1.00 . D A . 71 HEC C4B 1 1 5 6050 4 2 1 HEC C4C C -0.527 -5.831 4.819 1.00 . D A . 71 HEC C4C 1 1 5 6051 4 2 1 HEC C4D C 2.570 -4.828 7.618 1.00 . D A . 71 HEC C4D 1 1 5 6052 4 2 1 HEC CAA C 4.365 -6.448 11.426 1.00 . D A . 71 HEC CAA 1 1 5 6053 4 2 1 HEC CAB C -3.649 -10.870 7.784 1.00 . D A . 71 HEC CAB 1 1 5 6054 4 2 1 HEC CAC C -1.740 -5.222 2.527 1.00 . D A . 71 HEC CAC 1 1 5 6055 4 2 1 HEC CAD C 4.236 -2.784 7.319 1.00 . D A . 71 HEC CAD 1 1 5 6056 4 2 1 HEC CBA C 5.557 -7.365 11.126 1.00 . D A . 71 HEC CBA 1 1 5 6057 4 2 1 HEC CBB C -4.614 -10.679 8.960 1.00 . D A . 71 HEC CBB 1 1 5 6058 4 2 1 HEC CBC C -3.162 -4.677 2.357 1.00 . D A . 71 HEC CBC 1 1 5 6059 4 2 1 HEC CBD C 5.598 -3.440 7.559 1.00 . D A . 71 HEC CBD 1 1 5 6060 4 2 1 HEC CGA C 6.902 -6.704 11.441 1.00 . D A . 71 HEC CGA 1 1 5 6061 4 2 1 HEC CGD C 6.232 -2.936 8.866 1.00 . D A . 71 HEC CGD 1 1 5 6062 4 2 1 HEC CHA C 3.077 -5.281 8.807 1.00 . D A . 71 HEC CHA 1 1 5 6063 4 2 1 HEC CHB C 0.347 -9.090 10.143 1.00 . D A . 71 HEC CHB 1 1 5 6064 4 2 1 HEC CHC C -2.112 -8.818 5.969 1.00 . D A . 71 HEC CHC 1 1 5 6065 4 2 1 HEC CHD C 0.383 -4.785 4.802 1.00 . D A . 71 HEC CHD 1 1 5 6066 4 2 1 HEC CMA C 2.381 -8.587 12.478 1.00 . D A . 71 HEC CMA 1 1 5 6067 4 2 1 HEC CMB C -1.626 -11.433 10.214 1.00 . D A . 71 HEC CMB 1 1 5 6068 4 2 1 HEC CMC C -3.199 -7.973 3.265 1.00 . D A . 71 HEC CMC 1 1 5 6069 4 2 1 HEC CMD C 2.603 -2.537 4.671 1.00 . D A . 71 HEC CMD 1 1 5 6070 4 2 1 HEC FE FE 0.422 -6.995 7.451 1.00 . D A . 71 HEC FE 1 1 5 6071 4 2 1 HEC HAA1 H 4.632 -5.438 11.133 1.00 . D A . 71 HEC HAA1 1 1 5 6072 4 2 1 HEC HAA2 H 4.209 -6.467 12.501 1.00 . D A . 71 HEC HAA2 1 1 5 6073 4 2 1 HEC HAB H -4.135 -10.375 6.949 1.00 . D A . 71 HEC HAB 1 1 5 6074 4 2 1 HEC HAC H -1.098 -4.349 2.542 1.00 . D A . 71 HEC HAC 1 1 5 6075 4 2 1 HEC HAD1 H 4.383 -1.962 6.621 1.00 . D A . 71 HEC HAD1 1 1 5 6076 4 2 1 HEC HAD2 H 3.935 -2.350 8.257 1.00 . D A . 71 HEC HAD2 1 1 5 6077 4 2 1 HEC HBA1 H 5.459 -8.285 11.703 1.00 . D A . 71 HEC HBA1 1 1 5 6078 4 2 1 HEC HBA2 H 5.542 -7.624 10.073 1.00 . D A . 71 HEC HBA2 1 1 5 6079 4 2 1 HEC HBB1 H -4.693 -9.619 9.206 1.00 . D A . 71 HEC HBB1 1 1 5 6080 4 2 1 HEC HBB2 H -5.601 -11.050 8.682 1.00 . D A . 71 HEC HBB2 1 1 5 6081 4 2 1 HEC HBB3 H -4.281 -11.223 9.841 1.00 . D A . 71 HEC HBB3 1 1 5 6082 4 2 1 HEC HBC1 H -3.893 -5.477 2.269 1.00 . D A . 71 HEC HBC1 1 1 5 6083 4 2 1 HEC HBC2 H -3.422 -4.053 3.211 1.00 . D A . 71 HEC HBC2 1 1 5 6084 4 2 1 HEC HBC3 H -3.201 -4.078 1.446 1.00 . D A . 71 HEC HBC3 1 1 5 6085 4 2 1 HEC HBD1 H 5.466 -4.517 7.617 1.00 . D A . 71 HEC HBD1 1 1 5 6086 4 2 1 HEC HBD2 H 6.243 -3.223 6.707 1.00 . D A . 71 HEC HBD2 1 1 5 6087 4 2 1 HEC HHA H 3.930 -4.772 9.216 1.00 . D A . 71 HEC HHA 1 1 5 6088 4 2 1 HEC HHB H 0.294 -9.732 10.998 1.00 . D A . 71 HEC HHB 1 1 5 6089 4 2 1 HEC HHC H -2.864 -9.395 5.463 1.00 . D A . 71 HEC HHC 1 1 5 6090 4 2 1 HEC HHD H 0.382 -4.112 3.970 1.00 . D A . 71 HEC HHD 1 1 5 6091 4 2 1 HEC HMA1 H 3.282 -9.199 12.470 1.00 . D A . 71 HEC HMA1 1 1 5 6092 4 2 1 HEC HMA2 H 2.466 -7.848 13.274 1.00 . D A . 71 HEC HMA2 1 1 5 6093 4 2 1 HEC HMA3 H 1.518 -9.209 12.697 1.00 . D A . 71 HEC HMA3 1 1 5 6094 4 2 1 HEC HMB1 H -2.233 -12.267 9.863 1.00 . D A . 71 HEC HMB1 1 1 5 6095 4 2 1 HEC HMB2 H -0.640 -11.822 10.461 1.00 . D A . 71 HEC HMB2 1 1 5 6096 4 2 1 HEC HMB3 H -2.083 -10.999 11.103 1.00 . D A . 71 HEC HMB3 1 1 5 6097 4 2 1 HEC HMC1 H -2.940 -9.029 3.201 1.00 . D A . 71 HEC HMC1 1 1 5 6098 4 2 1 HEC HMC2 H -4.169 -7.863 3.745 1.00 . D A . 71 HEC HMC2 1 1 5 6099 4 2 1 HEC HMC3 H -3.255 -7.588 2.251 1.00 . D A . 71 HEC HMC3 1 1 5 6100 4 2 1 HEC HMD1 H 3.483 -2.847 4.110 1.00 . D A . 71 HEC HMD1 1 1 5 6101 4 2 1 HEC HMD2 H 1.758 -2.432 3.999 1.00 . D A . 71 HEC HMD2 1 1 5 6102 4 2 1 HEC HMD3 H 2.808 -1.559 5.099 1.00 . D A . 71 HEC HMD3 1 1 5 6103 4 2 1 HEC NA N 1.496 -7.161 9.130 1.00 . D A . 71 HEC NA 1 1 5 6104 4 2 1 HEC NB N -0.661 -8.642 7.946 1.00 . D A . 71 HEC NB 1 1 5 6105 4 2 1 HEC NC N -0.665 -6.829 5.754 1.00 . D A . 71 HEC NC 1 1 5 6106 4 2 1 HEC ND N 1.524 -5.340 6.912 1.00 . D A . 71 HEC ND 1 1 5 6107 4 2 1 HEC O1A O 6.937 -5.902 12.405 1.00 . D A . 71 HEC O1A 1 1 5 6108 4 2 1 HEC O1D O 5.805 -3.417 9.943 1.00 . D A . 71 HEC O1D 1 1 5 6109 4 2 1 HEC O2A O 7.874 -6.999 10.711 1.00 . D A . 71 HEC O2A 1 1 5 6110 4 2 1 HEC O2D O 7.081 -2.025 8.802 1.00 . D A . 71 HEC O2D 1 1 6 6111 1 1 1 ALA C C 10.557 2.579 -7.904 1.00 . A A . 1 ALA C 1 1 6 6112 1 1 1 ALA CA C 11.715 3.520 -7.583 1.00 . A A . 1 ALA CA 1 1 6 6113 1 1 1 ALA CB C 13.067 2.860 -7.880 1.00 . A A . 1 ALA CB 1 1 6 6114 1 1 1 ALA H1 H 11.786 3.117 -5.574 1.00 . A A . 1 ALA H1 1 1 6 6115 1 1 1 ALA H2 H 12.279 4.665 -5.927 1.00 . A A . 1 ALA H2 1 1 6 6116 1 1 1 ALA H3 H 10.699 4.261 -5.980 1.00 . A A . 1 ALA H3 1 1 6 6117 1 1 1 ALA HA H 11.617 4.415 -8.200 1.00 . A A . 1 ALA HA 1 1 6 6118 1 1 1 ALA HB1 H 13.878 3.548 -7.642 1.00 . A A . 1 ALA HB1 1 1 6 6119 1 1 1 ALA HB2 H 13.180 1.952 -7.285 1.00 . A A . 1 ALA HB2 1 1 6 6120 1 1 1 ALA HB3 H 13.130 2.596 -8.937 1.00 . A A . 1 ALA HB3 1 1 6 6121 1 1 1 ALA N N 11.626 3.916 -6.167 1.00 . A A . 1 ALA N 1 1 6 6122 1 1 1 ALA O O 9.835 2.190 -6.989 1.00 . A A . 1 ALA O 1 1 6 6123 1 1 2 ASP C C 9.486 -0.018 -8.873 1.00 . A A . 2 ASP C 1 1 6 6124 1 1 2 ASP CA C 9.383 1.289 -9.664 1.00 . A A . 2 ASP CA 1 1 6 6125 1 1 2 ASP CB C 9.638 1.002 -11.161 1.00 . A A . 2 ASP CB 1 1 6 6126 1 1 2 ASP CG C 9.831 2.219 -12.063 1.00 . A A . 2 ASP CG 1 1 6 6127 1 1 2 ASP H H 10.837 2.746 -9.930 1.00 . A A . 2 ASP H 1 1 6 6128 1 1 2 ASP HA H 8.391 1.727 -9.532 1.00 . A A . 2 ASP HA 1 1 6 6129 1 1 2 ASP HB2 H 10.548 0.410 -11.261 1.00 . A A . 2 ASP HB2 1 1 6 6130 1 1 2 ASP HB3 H 8.809 0.408 -11.547 1.00 . A A . 2 ASP HB3 1 1 6 6131 1 1 2 ASP N N 10.362 2.244 -9.178 1.00 . A A . 2 ASP N 1 1 6 6132 1 1 2 ASP O O 10.485 -0.722 -8.985 1.00 . A A . 2 ASP O 1 1 6 6133 1 1 2 ASP OD1 O 10.396 3.225 -11.575 1.00 . A A . 2 ASP OD1 1 1 6 6134 1 1 2 ASP OD2 O 9.439 2.107 -13.243 1.00 . A A . 2 ASP OD2 1 1 6 6135 1 1 3 VAL C C 9.315 -1.364 -6.043 1.00 . A A . 3 VAL C 1 1 6 6136 1 1 3 VAL CA C 8.353 -1.499 -7.229 1.00 . A A . 3 VAL CA 1 1 6 6137 1 1 3 VAL CB C 8.523 -2.829 -7.995 1.00 . A A . 3 VAL CB 1 1 6 6138 1 1 3 VAL CG1 C 8.049 -3.993 -7.114 1.00 . A A . 3 VAL CG1 1 1 6 6139 1 1 3 VAL CG2 C 7.733 -2.864 -9.312 1.00 . A A . 3 VAL CG2 1 1 6 6140 1 1 3 VAL H H 7.693 0.334 -8.042 1.00 . A A . 3 VAL H 1 1 6 6141 1 1 3 VAL HA H 7.342 -1.485 -6.836 1.00 . A A . 3 VAL HA 1 1 6 6142 1 1 3 VAL HB H 9.577 -2.990 -8.227 1.00 . A A . 3 VAL HB 1 1 6 6143 1 1 3 VAL HG11 H 8.186 -4.937 -7.643 1.00 . A A . 3 VAL HG11 1 1 6 6144 1 1 3 VAL HG12 H 8.625 -4.028 -6.189 1.00 . A A . 3 VAL HG12 1 1 6 6145 1 1 3 VAL HG13 H 6.992 -3.878 -6.873 1.00 . A A . 3 VAL HG13 1 1 6 6146 1 1 3 VAL HG21 H 6.681 -2.648 -9.136 1.00 . A A . 3 VAL HG21 1 1 6 6147 1 1 3 VAL HG22 H 8.131 -2.140 -10.022 1.00 . A A . 3 VAL HG22 1 1 6 6148 1 1 3 VAL HG23 H 7.814 -3.854 -9.760 1.00 . A A . 3 VAL HG23 1 1 6 6149 1 1 3 VAL N N 8.443 -0.331 -8.098 1.00 . A A . 3 VAL N 1 1 6 6150 1 1 3 VAL O O 10.533 -1.365 -6.210 1.00 . A A . 3 VAL O 1 1 6 6151 1 1 4 VAL C C 9.128 -2.396 -2.748 1.00 . A A . 4 VAL C 1 1 6 6152 1 1 4 VAL CA C 9.551 -1.211 -3.601 1.00 . A A . 4 VAL CA 1 1 6 6153 1 1 4 VAL CB C 9.324 0.130 -2.883 1.00 . A A . 4 VAL CB 1 1 6 6154 1 1 4 VAL CG1 C 9.948 0.181 -1.477 1.00 . A A . 4 VAL CG1 1 1 6 6155 1 1 4 VAL CG2 C 9.907 1.278 -3.706 1.00 . A A . 4 VAL CG2 1 1 6 6156 1 1 4 VAL H H 7.761 -1.339 -4.719 1.00 . A A . 4 VAL H 1 1 6 6157 1 1 4 VAL HA H 10.617 -1.306 -3.780 1.00 . A A . 4 VAL HA 1 1 6 6158 1 1 4 VAL HB H 8.253 0.289 -2.819 1.00 . A A . 4 VAL HB 1 1 6 6159 1 1 4 VAL HG11 H 11.004 -0.084 -1.522 1.00 . A A . 4 VAL HG11 1 1 6 6160 1 1 4 VAL HG12 H 9.854 1.183 -1.060 1.00 . A A . 4 VAL HG12 1 1 6 6161 1 1 4 VAL HG13 H 9.444 -0.507 -0.800 1.00 . A A . 4 VAL HG13 1 1 6 6162 1 1 4 VAL HG21 H 9.755 2.217 -3.176 1.00 . A A . 4 VAL HG21 1 1 6 6163 1 1 4 VAL HG22 H 10.973 1.114 -3.862 1.00 . A A . 4 VAL HG22 1 1 6 6164 1 1 4 VAL HG23 H 9.396 1.329 -4.664 1.00 . A A . 4 VAL HG23 1 1 6 6165 1 1 4 VAL N N 8.768 -1.250 -4.830 1.00 . A A . 4 VAL N 1 1 6 6166 1 1 4 VAL O O 8.058 -2.970 -2.968 1.00 . A A . 4 VAL O 1 1 6 6167 1 1 5 THR C C 9.846 -2.681 0.701 1.00 . A A . 5 THR C 1 1 6 6168 1 1 5 THR CA C 9.468 -3.418 -0.578 1.00 . A A . 5 THR CA 1 1 6 6169 1 1 5 THR CB C 9.948 -4.874 -0.554 1.00 . A A . 5 THR CB 1 1 6 6170 1 1 5 THR CG2 C 11.458 -5.026 -0.758 1.00 . A A . 5 THR CG2 1 1 6 6171 1 1 5 THR H H 10.837 -2.271 -1.638 1.00 . A A . 5 THR H 1 1 6 6172 1 1 5 THR HA H 8.385 -3.347 -0.626 1.00 . A A . 5 THR HA 1 1 6 6173 1 1 5 THR HB H 9.445 -5.411 -1.355 1.00 . A A . 5 THR HB 1 1 6 6174 1 1 5 THR HG1 H 8.668 -5.131 0.820 1.00 . A A . 5 THR HG1 1 1 6 6175 1 1 5 THR HG21 H 11.730 -4.744 -1.776 1.00 . A A . 5 THR HG21 1 1 6 6176 1 1 5 THR HG22 H 12.007 -4.396 -0.061 1.00 . A A . 5 THR HG22 1 1 6 6177 1 1 5 THR HG23 H 11.743 -6.066 -0.596 1.00 . A A . 5 THR HG23 1 1 6 6178 1 1 5 THR N N 9.951 -2.737 -1.752 1.00 . A A . 5 THR N 1 1 6 6179 1 1 5 THR O O 10.888 -2.035 0.774 1.00 . A A . 5 THR O 1 1 6 6180 1 1 5 THR OG1 O 9.580 -5.418 0.692 1.00 . A A . 5 THR OG1 1 1 6 6181 1 1 6 TYR C C 10.225 -3.069 3.849 1.00 . A A . 6 TYR C 1 1 6 6182 1 1 6 TYR CA C 9.188 -2.278 3.042 1.00 . A A . 6 TYR CA 1 1 6 6183 1 1 6 TYR CB C 7.868 -2.193 3.814 1.00 . A A . 6 TYR CB 1 1 6 6184 1 1 6 TYR CD1 C 7.115 0.045 2.890 1.00 . A A . 6 TYR CD1 1 1 6 6185 1 1 6 TYR CD2 C 5.572 -1.829 2.821 1.00 . A A . 6 TYR CD2 1 1 6 6186 1 1 6 TYR CE1 C 6.189 0.826 2.181 1.00 . A A . 6 TYR CE1 1 1 6 6187 1 1 6 TYR CE2 C 4.647 -1.048 2.113 1.00 . A A . 6 TYR CE2 1 1 6 6188 1 1 6 TYR CG C 6.823 -1.300 3.177 1.00 . A A . 6 TYR CG 1 1 6 6189 1 1 6 TYR CZ C 4.944 0.287 1.819 1.00 . A A . 6 TYR CZ 1 1 6 6190 1 1 6 TYR H H 8.092 -3.265 1.497 1.00 . A A . 6 TYR H 1 1 6 6191 1 1 6 TYR HA H 9.563 -1.267 2.939 1.00 . A A . 6 TYR HA 1 1 6 6192 1 1 6 TYR HB2 H 7.473 -3.202 3.935 1.00 . A A . 6 TYR HB2 1 1 6 6193 1 1 6 TYR HB3 H 8.074 -1.797 4.808 1.00 . A A . 6 TYR HB3 1 1 6 6194 1 1 6 TYR HD1 H 8.061 0.478 3.176 1.00 . A A . 6 TYR HD1 1 1 6 6195 1 1 6 TYR HD2 H 5.300 -2.822 3.125 1.00 . A A . 6 TYR HD2 1 1 6 6196 1 1 6 TYR HE1 H 6.494 1.799 1.827 1.00 . A A . 6 TYR HE1 1 1 6 6197 1 1 6 TYR HE2 H 3.728 -1.484 1.759 1.00 . A A . 6 TYR HE2 1 1 6 6198 1 1 6 TYR HH H 4.327 1.947 1.065 1.00 . A A . 6 TYR HH 1 1 6 6199 1 1 6 TYR N N 8.965 -2.794 1.700 1.00 . A A . 6 TYR N 1 1 6 6200 1 1 6 TYR O O 10.716 -2.539 4.839 1.00 . A A . 6 TYR O 1 1 6 6201 1 1 6 TYR OH O 4.036 1.040 1.142 1.00 . A A . 6 TYR OH 1 1 6 6202 1 1 7 GLU C C 11.082 -5.329 5.689 1.00 . A A . 7 GLU C 1 1 6 6203 1 1 7 GLU CA C 11.424 -5.216 4.193 1.00 . A A . 7 GLU CA 1 1 6 6204 1 1 7 GLU CB C 12.877 -4.839 3.967 1.00 . A A . 7 GLU CB 1 1 6 6205 1 1 7 GLU CD C 14.777 -4.673 2.283 1.00 . A A . 7 GLU CD 1 1 6 6206 1 1 7 GLU CG C 13.271 -4.820 2.484 1.00 . A A . 7 GLU CG 1 1 6 6207 1 1 7 GLU H H 10.215 -4.640 2.563 1.00 . A A . 7 GLU H 1 1 6 6208 1 1 7 GLU HA H 11.313 -6.199 3.744 1.00 . A A . 7 GLU HA 1 1 6 6209 1 1 7 GLU HB2 H 13.011 -3.853 4.392 1.00 . A A . 7 GLU HB2 1 1 6 6210 1 1 7 GLU HB3 H 13.483 -5.566 4.502 1.00 . A A . 7 GLU HB3 1 1 6 6211 1 1 7 GLU HG2 H 12.959 -5.746 2.002 1.00 . A A . 7 GLU HG2 1 1 6 6212 1 1 7 GLU HG3 H 12.782 -3.973 2.004 1.00 . A A . 7 GLU HG3 1 1 6 6213 1 1 7 GLU N N 10.536 -4.316 3.464 1.00 . A A . 7 GLU N 1 1 6 6214 1 1 7 GLU O O 11.594 -4.614 6.546 1.00 . A A . 7 GLU O 1 1 6 6215 1 1 7 GLU OE1 O 15.525 -5.208 3.131 1.00 . A A . 7 GLU OE1 1 1 6 6216 1 1 7 GLU OE2 O 15.153 -4.043 1.273 1.00 . A A . 7 GLU OE2 1 1 6 6217 1 1 8 ASN C C 9.515 -8.069 7.412 1.00 . A A . 8 ASN C 1 1 6 6218 1 1 8 ASN CA C 9.543 -6.550 7.247 1.00 . A A . 8 ASN CA 1 1 6 6219 1 1 8 ASN CB C 8.126 -5.967 7.150 1.00 . A A . 8 ASN CB 1 1 6 6220 1 1 8 ASN CG C 7.429 -6.422 5.870 1.00 . A A . 8 ASN CG 1 1 6 6221 1 1 8 ASN H H 10.005 -6.944 5.255 1.00 . A A . 8 ASN H 1 1 6 6222 1 1 8 ASN HA H 10.077 -6.093 8.081 1.00 . A A . 8 ASN HA 1 1 6 6223 1 1 8 ASN HB2 H 7.537 -6.252 8.022 1.00 . A A . 8 ASN HB2 1 1 6 6224 1 1 8 ASN HB3 H 8.207 -4.880 7.127 1.00 . A A . 8 ASN HB3 1 1 6 6225 1 1 8 ASN HD21 H 6.929 -8.197 6.682 1.00 . A A . 8 ASN HD21 1 1 6 6226 1 1 8 ASN HD22 H 6.558 -7.987 4.965 1.00 . A A . 8 ASN HD22 1 1 6 6227 1 1 8 ASN N N 10.224 -6.299 5.988 1.00 . A A . 8 ASN N 1 1 6 6228 1 1 8 ASN ND2 N 6.901 -7.642 5.846 1.00 . A A . 8 ASN ND2 1 1 6 6229 1 1 8 ASN O O 9.576 -8.783 6.401 1.00 . A A . 8 ASN O 1 1 6 6230 1 1 8 ASN OD1 O 7.429 -5.728 4.859 1.00 . A A . 8 ASN OD1 1 1 6 6231 1 1 9 LYS C C 8.674 -10.939 8.433 1.00 . A A . 9 LYS C 1 1 6 6232 1 1 9 LYS CA C 9.770 -9.987 8.902 1.00 . A A . 9 LYS CA 1 1 6 6233 1 1 9 LYS CB C 10.138 -10.225 10.371 1.00 . A A . 9 LYS CB 1 1 6 6234 1 1 9 LYS CD C 9.237 -10.154 12.784 1.00 . A A . 9 LYS CD 1 1 6 6235 1 1 9 LYS CE C 10.015 -8.862 13.107 1.00 . A A . 9 LYS CE 1 1 6 6236 1 1 9 LYS CG C 8.907 -10.297 11.292 1.00 . A A . 9 LYS CG 1 1 6 6237 1 1 9 LYS H H 9.244 -7.962 9.445 1.00 . A A . 9 LYS H 1 1 6 6238 1 1 9 LYS HA H 10.668 -10.218 8.323 1.00 . A A . 9 LYS HA 1 1 6 6239 1 1 9 LYS HB2 H 10.667 -11.175 10.446 1.00 . A A . 9 LYS HB2 1 1 6 6240 1 1 9 LYS HB3 H 10.825 -9.436 10.663 1.00 . A A . 9 LYS HB3 1 1 6 6241 1 1 9 LYS HD2 H 8.287 -10.169 13.323 1.00 . A A . 9 LYS HD2 1 1 6 6242 1 1 9 LYS HD3 H 9.821 -11.020 13.102 1.00 . A A . 9 LYS HD3 1 1 6 6243 1 1 9 LYS HE2 H 11.037 -9.120 13.393 1.00 . A A . 9 LYS HE2 1 1 6 6244 1 1 9 LYS HE3 H 10.056 -8.209 12.235 1.00 . A A . 9 LYS HE3 1 1 6 6245 1 1 9 LYS HG2 H 8.197 -9.525 11.013 1.00 . A A . 9 LYS HG2 1 1 6 6246 1 1 9 LYS HG3 H 8.422 -11.262 11.143 1.00 . A A . 9 LYS HG3 1 1 6 6247 1 1 9 LYS HZ1 H 8.502 -7.685 13.782 1.00 . A A . 9 LYS HZ1 1 1 6 6248 1 1 9 LYS HZ2 H 9.193 -8.594 14.994 1.00 . A A . 9 LYS HZ2 1 1 6 6249 1 1 9 LYS HZ3 H 9.954 -7.258 14.382 1.00 . A A . 9 LYS HZ3 1 1 6 6250 1 1 9 LYS N N 9.443 -8.581 8.648 1.00 . A A . 9 LYS N 1 1 6 6251 1 1 9 LYS NZ N 9.377 -8.055 14.163 1.00 . A A . 9 LYS NZ 1 1 6 6252 1 1 9 LYS O O 8.950 -12.105 8.169 1.00 . A A . 9 LYS O 1 1 6 6253 1 1 10 LYS C C 6.727 -11.845 6.463 1.00 . A A . 10 LYS C 1 1 6 6254 1 1 10 LYS CA C 6.320 -11.225 7.798 1.00 . A A . 10 LYS CA 1 1 6 6255 1 1 10 LYS CB C 5.085 -10.342 7.597 1.00 . A A . 10 LYS CB 1 1 6 6256 1 1 10 LYS CD C 3.870 -10.878 9.778 1.00 . A A . 10 LYS CD 1 1 6 6257 1 1 10 LYS CE C 4.827 -11.251 10.922 1.00 . A A . 10 LYS CE 1 1 6 6258 1 1 10 LYS CG C 4.451 -9.781 8.873 1.00 . A A . 10 LYS CG 1 1 6 6259 1 1 10 LYS H H 7.289 -9.503 8.663 1.00 . A A . 10 LYS H 1 1 6 6260 1 1 10 LYS HA H 6.075 -12.055 8.460 1.00 . A A . 10 LYS HA 1 1 6 6261 1 1 10 LYS HB2 H 5.373 -9.502 6.971 1.00 . A A . 10 LYS HB2 1 1 6 6262 1 1 10 LYS HB3 H 4.328 -10.919 7.063 1.00 . A A . 10 LYS HB3 1 1 6 6263 1 1 10 LYS HD2 H 2.940 -10.497 10.204 1.00 . A A . 10 LYS HD2 1 1 6 6264 1 1 10 LYS HD3 H 3.623 -11.746 9.164 1.00 . A A . 10 LYS HD3 1 1 6 6265 1 1 10 LYS HE2 H 5.825 -11.452 10.537 1.00 . A A . 10 LYS HE2 1 1 6 6266 1 1 10 LYS HE3 H 4.905 -10.408 11.611 1.00 . A A . 10 LYS HE3 1 1 6 6267 1 1 10 LYS HG2 H 5.179 -9.176 9.401 1.00 . A A . 10 LYS HG2 1 1 6 6268 1 1 10 LYS HG3 H 3.639 -9.113 8.571 1.00 . A A . 10 LYS HG3 1 1 6 6269 1 1 10 LYS HZ1 H 5.008 -12.658 12.408 1.00 . A A . 10 LYS HZ1 1 1 6 6270 1 1 10 LYS HZ2 H 3.448 -12.283 12.054 1.00 . A A . 10 LYS HZ2 1 1 6 6271 1 1 10 LYS HZ3 H 4.319 -13.240 11.036 1.00 . A A . 10 LYS HZ3 1 1 6 6272 1 1 10 LYS N N 7.429 -10.454 8.356 1.00 . A A . 10 LYS N 1 1 6 6273 1 1 10 LYS NZ N 4.363 -12.445 11.659 1.00 . A A . 10 LYS NZ 1 1 6 6274 1 1 10 LYS O O 6.512 -13.032 6.245 1.00 . A A . 10 LYS O 1 1 6 6275 1 1 11 GLY C C 8.101 -10.402 3.338 1.00 . A A . 11 GLY C 1 1 6 6276 1 1 11 GLY CA C 7.946 -11.511 4.371 1.00 . A A . 11 GLY CA 1 1 6 6277 1 1 11 GLY H H 7.481 -10.073 5.872 1.00 . A A . 11 GLY H 1 1 6 6278 1 1 11 GLY HA2 H 8.935 -11.903 4.612 1.00 . A A . 11 GLY HA2 1 1 6 6279 1 1 11 GLY HA3 H 7.349 -12.312 3.933 1.00 . A A . 11 GLY HA3 1 1 6 6280 1 1 11 GLY N N 7.325 -11.028 5.593 1.00 . A A . 11 GLY N 1 1 6 6281 1 1 11 GLY O O 7.742 -10.611 2.187 1.00 . A A . 11 GLY O 1 1 6 6282 1 1 12 ASN C C 7.993 -7.793 1.879 1.00 . A A . 12 ASN C 1 1 6 6283 1 1 12 ASN CA C 9.093 -8.160 2.876 1.00 . A A . 12 ASN CA 1 1 6 6284 1 1 12 ASN CB C 10.360 -8.564 2.123 1.00 . A A . 12 ASN CB 1 1 6 6285 1 1 12 ASN CG C 11.615 -8.875 2.947 1.00 . A A . 12 ASN CG 1 1 6 6286 1 1 12 ASN H H 8.819 -9.151 4.745 1.00 . A A . 12 ASN H 1 1 6 6287 1 1 12 ASN HA H 9.342 -7.264 3.452 1.00 . A A . 12 ASN HA 1 1 6 6288 1 1 12 ASN HB2 H 10.077 -9.422 1.528 1.00 . A A . 12 ASN HB2 1 1 6 6289 1 1 12 ASN HB3 H 10.624 -7.758 1.436 1.00 . A A . 12 ASN HB3 1 1 6 6290 1 1 12 ASN HD21 H 10.736 -8.807 4.838 1.00 . A A . 12 ASN HD21 1 1 6 6291 1 1 12 ASN HD22 H 12.451 -9.092 4.746 1.00 . A A . 12 ASN HD22 1 1 6 6292 1 1 12 ASN N N 8.634 -9.243 3.756 1.00 . A A . 12 ASN N 1 1 6 6293 1 1 12 ASN ND2 N 11.574 -8.907 4.283 1.00 . A A . 12 ASN ND2 1 1 6 6294 1 1 12 ASN O O 7.970 -8.236 0.734 1.00 . A A . 12 ASN O 1 1 6 6295 1 1 12 ASN OD1 O 12.670 -9.095 2.366 1.00 . A A . 12 ASN OD1 1 1 6 6296 1 1 13 VAL C C 6.361 -5.862 0.317 1.00 . A A . 13 VAL C 1 1 6 6297 1 1 13 VAL CA C 5.893 -6.556 1.587 1.00 . A A . 13 VAL CA 1 1 6 6298 1 1 13 VAL CB C 5.053 -5.582 2.423 1.00 . A A . 13 VAL CB 1 1 6 6299 1 1 13 VAL CG1 C 4.051 -4.812 1.550 1.00 . A A . 13 VAL CG1 1 1 6 6300 1 1 13 VAL CG2 C 4.293 -6.311 3.527 1.00 . A A . 13 VAL CG2 1 1 6 6301 1 1 13 VAL H H 7.287 -6.523 3.221 1.00 . A A . 13 VAL H 1 1 6 6302 1 1 13 VAL HA H 5.287 -7.427 1.331 1.00 . A A . 13 VAL HA 1 1 6 6303 1 1 13 VAL HB H 5.733 -4.875 2.895 1.00 . A A . 13 VAL HB 1 1 6 6304 1 1 13 VAL HG11 H 4.561 -4.069 0.935 1.00 . A A . 13 VAL HG11 1 1 6 6305 1 1 13 VAL HG12 H 3.493 -5.500 0.914 1.00 . A A . 13 VAL HG12 1 1 6 6306 1 1 13 VAL HG13 H 3.356 -4.282 2.186 1.00 . A A . 13 VAL HG13 1 1 6 6307 1 1 13 VAL HG21 H 3.568 -7.001 3.097 1.00 . A A . 13 VAL HG21 1 1 6 6308 1 1 13 VAL HG22 H 5.001 -6.857 4.142 1.00 . A A . 13 VAL HG22 1 1 6 6309 1 1 13 VAL HG23 H 3.777 -5.584 4.154 1.00 . A A . 13 VAL HG23 1 1 6 6310 1 1 13 VAL N N 7.060 -6.976 2.348 1.00 . A A . 13 VAL N 1 1 6 6311 1 1 13 VAL O O 6.938 -4.780 0.415 1.00 . A A . 13 VAL O 1 1 6 6312 1 1 14 THR C C 5.099 -4.895 -2.388 1.00 . A A . 14 THR C 1 1 6 6313 1 1 14 THR CA C 6.284 -5.818 -2.130 1.00 . A A . 14 THR CA 1 1 6 6314 1 1 14 THR CB C 6.398 -6.893 -3.222 1.00 . A A . 14 THR CB 1 1 6 6315 1 1 14 THR CG2 C 6.733 -6.296 -4.592 1.00 . A A . 14 THR CG2 1 1 6 6316 1 1 14 THR H H 5.632 -7.355 -0.838 1.00 . A A . 14 THR H 1 1 6 6317 1 1 14 THR HA H 7.209 -5.245 -2.110 1.00 . A A . 14 THR HA 1 1 6 6318 1 1 14 THR HB H 5.456 -7.441 -3.293 1.00 . A A . 14 THR HB 1 1 6 6319 1 1 14 THR HG1 H 7.494 -8.471 -3.533 1.00 . A A . 14 THR HG1 1 1 6 6320 1 1 14 THR HG21 H 5.915 -5.671 -4.949 1.00 . A A . 14 THR HG21 1 1 6 6321 1 1 14 THR HG22 H 7.643 -5.699 -4.524 1.00 . A A . 14 THR HG22 1 1 6 6322 1 1 14 THR HG23 H 6.888 -7.097 -5.316 1.00 . A A . 14 THR HG23 1 1 6 6323 1 1 14 THR N N 6.089 -6.456 -0.843 1.00 . A A . 14 THR N 1 1 6 6324 1 1 14 THR O O 3.967 -5.219 -2.024 1.00 . A A . 14 THR O 1 1 6 6325 1 1 14 THR OG1 O 7.427 -7.790 -2.861 1.00 . A A . 14 THR OG1 1 1 6 6326 1 1 15 PHE C C 4.756 -2.216 -4.812 1.00 . A A . 15 PHE C 1 1 6 6327 1 1 15 PHE CA C 4.292 -2.896 -3.530 1.00 . A A . 15 PHE CA 1 1 6 6328 1 1 15 PHE CB C 3.811 -1.902 -2.469 1.00 . A A . 15 PHE CB 1 1 6 6329 1 1 15 PHE CD1 C 5.819 -1.338 -1.068 1.00 . A A . 15 PHE CD1 1 1 6 6330 1 1 15 PHE CD2 C 4.831 0.410 -2.453 1.00 . A A . 15 PHE CD2 1 1 6 6331 1 1 15 PHE CE1 C 6.749 -0.417 -0.575 1.00 . A A . 15 PHE CE1 1 1 6 6332 1 1 15 PHE CE2 C 5.758 1.335 -1.949 1.00 . A A . 15 PHE CE2 1 1 6 6333 1 1 15 PHE CG C 4.847 -0.919 -1.991 1.00 . A A . 15 PHE CG 1 1 6 6334 1 1 15 PHE CZ C 6.681 0.928 -0.971 1.00 . A A . 15 PHE CZ 1 1 6 6335 1 1 15 PHE H H 6.311 -3.497 -3.233 1.00 . A A . 15 PHE H 1 1 6 6336 1 1 15 PHE HA H 3.433 -3.523 -3.776 1.00 . A A . 15 PHE HA 1 1 6 6337 1 1 15 PHE HB2 H 2.960 -1.347 -2.863 1.00 . A A . 15 PHE HB2 1 1 6 6338 1 1 15 PHE HB3 H 3.470 -2.459 -1.600 1.00 . A A . 15 PHE HB3 1 1 6 6339 1 1 15 PHE HD1 H 5.843 -2.359 -0.716 1.00 . A A . 15 PHE HD1 1 1 6 6340 1 1 15 PHE HD2 H 4.120 0.722 -3.204 1.00 . A A . 15 PHE HD2 1 1 6 6341 1 1 15 PHE HE1 H 7.455 -0.729 0.178 1.00 . A A . 15 PHE HE1 1 1 6 6342 1 1 15 PHE HE2 H 5.770 2.349 -2.323 1.00 . A A . 15 PHE HE2 1 1 6 6343 1 1 15 PHE HZ H 7.393 1.624 -0.571 1.00 . A A . 15 PHE HZ 1 1 6 6344 1 1 15 PHE N N 5.348 -3.751 -3.023 1.00 . A A . 15 PHE N 1 1 6 6345 1 1 15 PHE O O 5.749 -1.480 -4.848 1.00 . A A . 15 PHE O 1 1 6 6346 1 1 16 ASP C C 3.869 -0.474 -7.206 1.00 . A A . 16 ASP C 1 1 6 6347 1 1 16 ASP CA C 4.249 -1.952 -7.205 1.00 . A A . 16 ASP CA 1 1 6 6348 1 1 16 ASP CB C 3.473 -2.794 -8.222 1.00 . A A . 16 ASP CB 1 1 6 6349 1 1 16 ASP CG C 3.816 -4.269 -8.088 1.00 . A A . 16 ASP CG 1 1 6 6350 1 1 16 ASP H H 3.397 -3.299 -5.861 1.00 . A A . 16 ASP H 1 1 6 6351 1 1 16 ASP HA H 5.303 -2.052 -7.451 1.00 . A A . 16 ASP HA 1 1 6 6352 1 1 16 ASP HB2 H 2.401 -2.687 -8.063 1.00 . A A . 16 ASP HB2 1 1 6 6353 1 1 16 ASP HB3 H 3.735 -2.468 -9.228 1.00 . A A . 16 ASP HB3 1 1 6 6354 1 1 16 ASP N N 4.026 -2.496 -5.887 1.00 . A A . 16 ASP N 1 1 6 6355 1 1 16 ASP O O 2.758 -0.105 -7.586 1.00 . A A . 16 ASP O 1 1 6 6356 1 1 16 ASP OD1 O 3.391 -4.834 -7.054 1.00 . A A . 16 ASP OD1 1 1 6 6357 1 1 16 ASP OD2 O 4.521 -4.778 -8.984 1.00 . A A . 16 ASP OD2 1 1 6 6358 1 1 17 HIS C C 4.178 2.396 -7.980 1.00 . A A . 17 HIS C 1 1 6 6359 1 1 17 HIS CA C 4.712 1.806 -6.666 1.00 . A A . 17 HIS CA 1 1 6 6360 1 1 17 HIS CB C 6.106 2.356 -6.315 1.00 . A A . 17 HIS CB 1 1 6 6361 1 1 17 HIS CD2 C 5.459 4.523 -5.107 1.00 . A A . 17 HIS CD2 1 1 6 6362 1 1 17 HIS CE1 C 6.449 5.991 -6.398 1.00 . A A . 17 HIS CE1 1 1 6 6363 1 1 17 HIS CG C 6.129 3.845 -6.090 1.00 . A A . 17 HIS CG 1 1 6 6364 1 1 17 HIS H H 5.586 -0.095 -6.270 1.00 . A A . 17 HIS H 1 1 6 6365 1 1 17 HIS HA H 4.016 2.059 -5.865 1.00 . A A . 17 HIS HA 1 1 6 6366 1 1 17 HIS HB2 H 6.471 1.871 -5.412 1.00 . A A . 17 HIS HB2 1 1 6 6367 1 1 17 HIS HB3 H 6.817 2.119 -7.106 1.00 . A A . 17 HIS HB3 1 1 6 6368 1 1 17 HIS HD1 H 7.294 4.593 -7.721 1.00 . A A . 17 HIS HD1 1 1 6 6369 1 1 17 HIS HD2 H 4.840 4.093 -4.337 1.00 . A A . 17 HIS HD2 1 1 6 6370 1 1 17 HIS HE1 H 6.753 6.934 -6.822 1.00 . A A . 17 HIS HE1 1 1 6 6371 1 1 17 HIS N N 4.807 0.355 -6.740 1.00 . A A . 17 HIS N 1 1 6 6372 1 1 17 HIS ND1 N 6.749 4.778 -6.892 1.00 . A A . 17 HIS ND1 1 1 6 6373 1 1 17 HIS NE2 N 5.665 5.888 -5.316 1.00 . A A . 17 HIS NE2 1 1 6 6374 1 1 17 HIS O O 3.066 2.915 -8.043 1.00 . A A . 17 HIS O 1 1 6 6375 1 1 18 LYS C C 3.313 2.269 -10.838 1.00 . A A . 18 LYS C 1 1 6 6376 1 1 18 LYS CA C 4.673 2.787 -10.370 1.00 . A A . 18 LYS CA 1 1 6 6377 1 1 18 LYS CB C 5.801 2.377 -11.327 1.00 . A A . 18 LYS CB 1 1 6 6378 1 1 18 LYS CD C 6.595 2.529 -13.714 1.00 . A A . 18 LYS CD 1 1 6 6379 1 1 18 LYS CE C 6.252 2.828 -15.179 1.00 . A A . 18 LYS CE 1 1 6 6380 1 1 18 LYS CG C 5.384 2.600 -12.784 1.00 . A A . 18 LYS CG 1 1 6 6381 1 1 18 LYS H H 5.883 1.865 -8.906 1.00 . A A . 18 LYS H 1 1 6 6382 1 1 18 LYS HA H 4.629 3.876 -10.336 1.00 . A A . 18 LYS HA 1 1 6 6383 1 1 18 LYS HB2 H 6.684 2.975 -11.097 1.00 . A A . 18 LYS HB2 1 1 6 6384 1 1 18 LYS HB3 H 6.047 1.322 -11.195 1.00 . A A . 18 LYS HB3 1 1 6 6385 1 1 18 LYS HD2 H 7.320 3.276 -13.384 1.00 . A A . 18 LYS HD2 1 1 6 6386 1 1 18 LYS HD3 H 7.054 1.543 -13.620 1.00 . A A . 18 LYS HD3 1 1 6 6387 1 1 18 LYS HE2 H 5.837 3.835 -15.252 1.00 . A A . 18 LYS HE2 1 1 6 6388 1 1 18 LYS HE3 H 7.175 2.790 -15.762 1.00 . A A . 18 LYS HE3 1 1 6 6389 1 1 18 LYS HG2 H 4.678 1.817 -13.052 1.00 . A A . 18 LYS HG2 1 1 6 6390 1 1 18 LYS HG3 H 4.901 3.572 -12.872 1.00 . A A . 18 LYS HG3 1 1 6 6391 1 1 18 LYS HZ1 H 5.055 2.089 -16.698 1.00 . A A . 18 LYS HZ1 1 1 6 6392 1 1 18 LYS HZ2 H 5.623 0.920 -15.680 1.00 . A A . 18 LYS HZ2 1 1 6 6393 1 1 18 LYS HZ3 H 4.408 1.919 -15.222 1.00 . A A . 18 LYS HZ3 1 1 6 6394 1 1 18 LYS N N 4.987 2.296 -9.039 1.00 . A A . 18 LYS N 1 1 6 6395 1 1 18 LYS NZ N 5.282 1.867 -15.742 1.00 . A A . 18 LYS NZ 1 1 6 6396 1 1 18 LYS O O 2.471 3.044 -11.274 1.00 . A A . 18 LYS O 1 1 6 6397 1 1 19 ALA C C 0.667 1.055 -10.444 1.00 . A A . 19 ALA C 1 1 6 6398 1 1 19 ALA CA C 1.834 0.351 -11.131 1.00 . A A . 19 ALA CA 1 1 6 6399 1 1 19 ALA CB C 1.823 -1.112 -10.732 1.00 . A A . 19 ALA CB 1 1 6 6400 1 1 19 ALA H H 3.870 0.375 -10.461 1.00 . A A . 19 ALA H 1 1 6 6401 1 1 19 ALA HA H 1.717 0.415 -12.214 1.00 . A A . 19 ALA HA 1 1 6 6402 1 1 19 ALA HB1 H 2.671 -1.632 -11.173 1.00 . A A . 19 ALA HB1 1 1 6 6403 1 1 19 ALA HB2 H 1.869 -1.144 -9.648 1.00 . A A . 19 ALA HB2 1 1 6 6404 1 1 19 ALA HB3 H 0.890 -1.568 -11.061 1.00 . A A . 19 ALA HB3 1 1 6 6405 1 1 19 ALA N N 3.105 0.957 -10.761 1.00 . A A . 19 ALA N 1 1 6 6406 1 1 19 ALA O O -0.217 1.572 -11.118 1.00 . A A . 19 ALA O 1 1 6 6407 1 1 20 HIS C C -0.491 3.193 -8.878 1.00 . A A . 20 HIS C 1 1 6 6408 1 1 20 HIS CA C -0.360 1.770 -8.336 1.00 . A A . 20 HIS CA 1 1 6 6409 1 1 20 HIS CB C -0.016 1.775 -6.833 1.00 . A A . 20 HIS CB 1 1 6 6410 1 1 20 HIS CD2 C -1.405 0.350 -5.182 1.00 . A A . 20 HIS CD2 1 1 6 6411 1 1 20 HIS CE1 C -0.348 -1.549 -5.347 1.00 . A A . 20 HIS CE1 1 1 6 6412 1 1 20 HIS CG C -0.384 0.510 -6.090 1.00 . A A . 20 HIS CG 1 1 6 6413 1 1 20 HIS H H 1.491 0.751 -8.610 1.00 . A A . 20 HIS H 1 1 6 6414 1 1 20 HIS HA H -1.314 1.261 -8.479 1.00 . A A . 20 HIS HA 1 1 6 6415 1 1 20 HIS HB2 H 1.047 1.973 -6.695 1.00 . A A . 20 HIS HB2 1 1 6 6416 1 1 20 HIS HB3 H -0.557 2.592 -6.366 1.00 . A A . 20 HIS HB3 1 1 6 6417 1 1 20 HIS HD1 H 1.112 -0.860 -6.733 1.00 . A A . 20 HIS HD1 1 1 6 6418 1 1 20 HIS HD2 H -2.097 1.113 -4.866 1.00 . A A . 20 HIS HD2 1 1 6 6419 1 1 20 HIS HE1 H -0.049 -2.574 -5.213 1.00 . A A . 20 HIS HE1 1 1 6 6420 1 1 20 HIS N N 0.671 1.087 -9.105 1.00 . A A . 20 HIS N 1 1 6 6421 1 1 20 HIS ND1 N 0.284 -0.687 -6.169 1.00 . A A . 20 HIS ND1 1 1 6 6422 1 1 20 HIS NE2 N -1.391 -0.971 -4.718 1.00 . A A . 20 HIS NE2 1 1 6 6423 1 1 20 HIS O O -1.590 3.697 -9.082 1.00 . A A . 20 HIS O 1 1 6 6424 1 1 21 ALA C C -0.149 5.319 -10.959 1.00 . A A . 21 ALA C 1 1 6 6425 1 1 21 ALA CA C 0.633 5.200 -9.649 1.00 . A A . 21 ALA CA 1 1 6 6426 1 1 21 ALA CB C 2.054 5.749 -9.775 1.00 . A A . 21 ALA CB 1 1 6 6427 1 1 21 ALA H H 1.514 3.304 -9.068 1.00 . A A . 21 ALA H 1 1 6 6428 1 1 21 ALA HA H 0.119 5.815 -8.909 1.00 . A A . 21 ALA HA 1 1 6 6429 1 1 21 ALA HB1 H 2.573 5.317 -10.624 1.00 . A A . 21 ALA HB1 1 1 6 6430 1 1 21 ALA HB2 H 1.980 6.823 -9.935 1.00 . A A . 21 ALA HB2 1 1 6 6431 1 1 21 ALA HB3 H 2.620 5.533 -8.869 1.00 . A A . 21 ALA HB3 1 1 6 6432 1 1 21 ALA N N 0.643 3.832 -9.155 1.00 . A A . 21 ALA N 1 1 6 6433 1 1 21 ALA O O -1.114 6.059 -11.037 1.00 . A A . 21 ALA O 1 1 6 6434 1 1 22 GLU C C -1.783 4.247 -13.356 1.00 . A A . 22 GLU C 1 1 6 6435 1 1 22 GLU CA C -0.339 4.750 -13.330 1.00 . A A . 22 GLU CA 1 1 6 6436 1 1 22 GLU CB C 0.558 4.102 -14.395 1.00 . A A . 22 GLU CB 1 1 6 6437 1 1 22 GLU CD C 1.773 2.043 -15.174 1.00 . A A . 22 GLU CD 1 1 6 6438 1 1 22 GLU CG C 0.639 2.573 -14.316 1.00 . A A . 22 GLU CG 1 1 6 6439 1 1 22 GLU H H 0.930 3.891 -11.809 1.00 . A A . 22 GLU H 1 1 6 6440 1 1 22 GLU HA H -0.365 5.818 -13.554 1.00 . A A . 22 GLU HA 1 1 6 6441 1 1 22 GLU HB2 H 0.188 4.371 -15.387 1.00 . A A . 22 GLU HB2 1 1 6 6442 1 1 22 GLU HB3 H 1.565 4.508 -14.286 1.00 . A A . 22 GLU HB3 1 1 6 6443 1 1 22 GLU HG2 H 0.834 2.272 -13.291 1.00 . A A . 22 GLU HG2 1 1 6 6444 1 1 22 GLU HG3 H -0.297 2.127 -14.653 1.00 . A A . 22 GLU HG3 1 1 6 6445 1 1 22 GLU N N 0.236 4.593 -11.999 1.00 . A A . 22 GLU N 1 1 6 6446 1 1 22 GLU O O -2.659 4.885 -13.938 1.00 . A A . 22 GLU O 1 1 6 6447 1 1 22 GLU OE1 O 2.905 1.998 -14.648 1.00 . A A . 22 GLU OE1 1 1 6 6448 1 1 22 GLU OE2 O 1.528 1.711 -16.350 1.00 . A A . 22 GLU OE2 1 1 6 6449 1 1 23 LYS C C -4.309 3.480 -11.876 1.00 . A A . 23 LYS C 1 1 6 6450 1 1 23 LYS CA C -3.347 2.516 -12.567 1.00 . A A . 23 LYS CA 1 1 6 6451 1 1 23 LYS CB C -3.197 1.239 -11.733 1.00 . A A . 23 LYS CB 1 1 6 6452 1 1 23 LYS CD C -3.127 -0.682 -13.381 1.00 . A A . 23 LYS CD 1 1 6 6453 1 1 23 LYS CE C -3.975 -1.654 -12.546 1.00 . A A . 23 LYS CE 1 1 6 6454 1 1 23 LYS CG C -2.316 0.193 -12.434 1.00 . A A . 23 LYS CG 1 1 6 6455 1 1 23 LYS H H -1.259 2.595 -12.296 1.00 . A A . 23 LYS H 1 1 6 6456 1 1 23 LYS HA H -3.745 2.276 -13.553 1.00 . A A . 23 LYS HA 1 1 6 6457 1 1 23 LYS HB2 H -2.723 1.496 -10.786 1.00 . A A . 23 LYS HB2 1 1 6 6458 1 1 23 LYS HB3 H -4.182 0.840 -11.501 1.00 . A A . 23 LYS HB3 1 1 6 6459 1 1 23 LYS HD2 H -3.733 -0.020 -13.999 1.00 . A A . 23 LYS HD2 1 1 6 6460 1 1 23 LYS HD3 H -2.410 -1.216 -14.006 1.00 . A A . 23 LYS HD3 1 1 6 6461 1 1 23 LYS HE2 H -3.365 -2.044 -11.729 1.00 . A A . 23 LYS HE2 1 1 6 6462 1 1 23 LYS HE3 H -4.835 -1.142 -12.112 1.00 . A A . 23 LYS HE3 1 1 6 6463 1 1 23 LYS HG2 H -1.529 0.670 -13.017 1.00 . A A . 23 LYS HG2 1 1 6 6464 1 1 23 LYS HG3 H -1.829 -0.426 -11.679 1.00 . A A . 23 LYS HG3 1 1 6 6465 1 1 23 LYS HZ1 H -3.715 -3.334 -13.714 1.00 . A A . 23 LYS HZ1 1 1 6 6466 1 1 23 LYS HZ2 H -4.877 -3.447 -12.584 1.00 . A A . 23 LYS HZ2 1 1 6 6467 1 1 23 LYS HZ3 H -5.178 -2.574 -13.961 1.00 . A A . 23 LYS HZ3 1 1 6 6468 1 1 23 LYS N N -2.032 3.106 -12.713 1.00 . A A . 23 LYS N 1 1 6 6469 1 1 23 LYS NZ N -4.471 -2.824 -13.288 1.00 . A A . 23 LYS NZ 1 1 6 6470 1 1 23 LYS O O -5.423 3.691 -12.348 1.00 . A A . 23 LYS O 1 1 6 6471 1 1 24 LEU C C -4.690 6.221 -10.078 1.00 . A A . 24 LEU C 1 1 6 6472 1 1 24 LEU CA C -4.775 4.718 -9.807 1.00 . A A . 24 LEU CA 1 1 6 6473 1 1 24 LEU CB C -4.441 4.357 -8.349 1.00 . A A . 24 LEU CB 1 1 6 6474 1 1 24 LEU CD1 C -3.593 2.525 -6.804 1.00 . A A . 24 LEU CD1 1 1 6 6475 1 1 24 LEU CD2 C -5.653 2.127 -8.175 1.00 . A A . 24 LEU CD2 1 1 6 6476 1 1 24 LEU CG C -4.304 2.837 -8.120 1.00 . A A . 24 LEU CG 1 1 6 6477 1 1 24 LEU H H -2.957 3.779 -10.399 1.00 . A A . 24 LEU H 1 1 6 6478 1 1 24 LEU HA H -5.806 4.413 -9.984 1.00 . A A . 24 LEU HA 1 1 6 6479 1 1 24 LEU HB2 H -3.511 4.850 -8.073 1.00 . A A . 24 LEU HB2 1 1 6 6480 1 1 24 LEU HB3 H -5.233 4.741 -7.706 1.00 . A A . 24 LEU HB3 1 1 6 6481 1 1 24 LEU HD11 H -2.657 3.074 -6.756 1.00 . A A . 24 LEU HD11 1 1 6 6482 1 1 24 LEU HD12 H -4.186 2.800 -5.942 1.00 . A A . 24 LEU HD12 1 1 6 6483 1 1 24 LEU HD13 H -3.391 1.455 -6.766 1.00 . A A . 24 LEU HD13 1 1 6 6484 1 1 24 LEU HD21 H -5.478 1.067 -8.009 1.00 . A A . 24 LEU HD21 1 1 6 6485 1 1 24 LEU HD22 H -6.320 2.513 -7.405 1.00 . A A . 24 LEU HD22 1 1 6 6486 1 1 24 LEU HD23 H -6.110 2.258 -9.154 1.00 . A A . 24 LEU HD23 1 1 6 6487 1 1 24 LEU HG H -3.683 2.385 -8.888 1.00 . A A . 24 LEU HG 1 1 6 6488 1 1 24 LEU N N -3.895 4.000 -10.719 1.00 . A A . 24 LEU N 1 1 6 6489 1 1 24 LEU O O -5.719 6.860 -10.280 1.00 . A A . 24 LEU O 1 1 6 6490 1 1 25 GLY C C -1.995 8.655 -9.803 1.00 . A A . 25 GLY C 1 1 6 6491 1 1 25 GLY CA C -3.219 8.142 -10.540 1.00 . A A . 25 GLY CA 1 1 6 6492 1 1 25 GLY H H -2.629 6.213 -10.033 1.00 . A A . 25 GLY H 1 1 6 6493 1 1 25 GLY HA2 H -2.986 8.134 -11.605 1.00 . A A . 25 GLY HA2 1 1 6 6494 1 1 25 GLY HA3 H -4.068 8.796 -10.352 1.00 . A A . 25 GLY HA3 1 1 6 6495 1 1 25 GLY N N -3.475 6.777 -10.121 1.00 . A A . 25 GLY N 1 1 6 6496 1 1 25 GLY O O -0.900 8.690 -10.359 1.00 . A A . 25 GLY O 1 1 6 6497 1 1 26 CYS C C -1.801 9.950 -6.333 1.00 . A A . 26 CYS C 1 1 6 6498 1 1 26 CYS CA C -1.144 9.562 -7.650 1.00 . A A . 26 CYS CA 1 1 6 6499 1 1 26 CYS CB C -0.425 10.765 -8.247 1.00 . A A . 26 CYS CB 1 1 6 6500 1 1 26 CYS H H -3.150 8.974 -8.200 1.00 . A A . 26 CYS H 1 1 6 6501 1 1 26 CYS HA H -0.453 8.750 -7.445 1.00 . A A . 26 CYS HA 1 1 6 6502 1 1 26 CYS HB2 H -0.427 10.778 -9.333 1.00 . A A . 26 CYS HB2 1 1 6 6503 1 1 26 CYS HB3 H -0.899 11.692 -7.925 1.00 . A A . 26 CYS HB3 1 1 6 6504 1 1 26 CYS N N -2.185 9.046 -8.544 1.00 . A A . 26 CYS N 1 1 6 6505 1 1 26 CYS O O -1.423 9.479 -5.259 1.00 . A A . 26 CYS O 1 1 6 6506 1 1 26 CYS SG S 1.300 10.804 -7.707 1.00 . A A . 26 CYS SG 1 1 6 6507 1 1 27 ASP C C -4.206 9.935 -4.605 1.00 . A A . 27 ASP C 1 1 6 6508 1 1 27 ASP CA C -3.925 11.083 -5.571 1.00 . A A . 27 ASP CA 1 1 6 6509 1 1 27 ASP CB C -5.176 11.399 -6.416 1.00 . A A . 27 ASP CB 1 1 6 6510 1 1 27 ASP CG C -5.626 10.260 -7.339 1.00 . A A . 27 ASP CG 1 1 6 6511 1 1 27 ASP H H -3.150 10.778 -7.469 1.00 . A A . 27 ASP H 1 1 6 6512 1 1 27 ASP HA H -3.640 11.968 -5.001 1.00 . A A . 27 ASP HA 1 1 6 6513 1 1 27 ASP HB2 H -5.997 11.637 -5.740 1.00 . A A . 27 ASP HB2 1 1 6 6514 1 1 27 ASP HB3 H -4.980 12.275 -7.033 1.00 . A A . 27 ASP HB3 1 1 6 6515 1 1 27 ASP N N -2.856 10.748 -6.500 1.00 . A A . 27 ASP N 1 1 6 6516 1 1 27 ASP O O -4.310 10.130 -3.398 1.00 . A A . 27 ASP O 1 1 6 6517 1 1 27 ASP OD1 O -4.746 9.458 -7.746 1.00 . A A . 27 ASP OD1 1 1 6 6518 1 1 27 ASP OD2 O -6.841 10.211 -7.616 1.00 . A A . 27 ASP OD2 1 1 6 6519 1 1 28 ALA C C -3.677 7.379 -3.193 1.00 . A A . 28 ALA C 1 1 6 6520 1 1 28 ALA CA C -4.367 7.430 -4.556 1.00 . A A . 28 ALA CA 1 1 6 6521 1 1 28 ALA CB C -3.720 6.441 -5.525 1.00 . A A . 28 ALA CB 1 1 6 6522 1 1 28 ALA H H -4.239 8.767 -6.196 1.00 . A A . 28 ALA H 1 1 6 6523 1 1 28 ALA HA H -5.419 7.177 -4.434 1.00 . A A . 28 ALA HA 1 1 6 6524 1 1 28 ALA HB1 H -4.330 6.387 -6.423 1.00 . A A . 28 ALA HB1 1 1 6 6525 1 1 28 ALA HB2 H -2.727 6.793 -5.799 1.00 . A A . 28 ALA HB2 1 1 6 6526 1 1 28 ALA HB3 H -3.626 5.453 -5.079 1.00 . A A . 28 ALA HB3 1 1 6 6527 1 1 28 ALA N N -4.287 8.735 -5.181 1.00 . A A . 28 ALA N 1 1 6 6528 1 1 28 ALA O O -4.243 6.853 -2.236 1.00 . A A . 28 ALA O 1 1 6 6529 1 1 29 CYS C C -1.018 9.248 -1.615 1.00 . A A . 29 CYS C 1 1 6 6530 1 1 29 CYS CA C -1.618 7.874 -1.931 1.00 . A A . 29 CYS CA 1 1 6 6531 1 1 29 CYS CB C -0.517 6.862 -2.091 1.00 . A A . 29 CYS CB 1 1 6 6532 1 1 29 CYS H H -2.078 8.291 -3.989 1.00 . A A . 29 CYS H 1 1 6 6533 1 1 29 CYS HA H -2.218 7.581 -1.069 1.00 . A A . 29 CYS HA 1 1 6 6534 1 1 29 CYS HB2 H 0.188 7.240 -2.831 1.00 . A A . 29 CYS HB2 1 1 6 6535 1 1 29 CYS HB3 H -0.009 6.739 -1.137 1.00 . A A . 29 CYS HB3 1 1 6 6536 1 1 29 CYS N N -2.444 7.889 -3.134 1.00 . A A . 29 CYS N 1 1 6 6537 1 1 29 CYS O O -0.850 9.586 -0.446 1.00 . A A . 29 CYS O 1 1 6 6538 1 1 29 CYS SG S -1.145 5.234 -2.608 1.00 . A A . 29 CYS SG 1 1 6 6539 1 1 30 HIS C C -0.880 12.415 -2.907 1.00 . A A . 30 HIS C 1 1 6 6540 1 1 30 HIS CA C 0.056 11.290 -2.483 1.00 . A A . 30 HIS CA 1 1 6 6541 1 1 30 HIS CB C 1.302 11.314 -3.369 1.00 . A A . 30 HIS CB 1 1 6 6542 1 1 30 HIS CD2 C 2.663 9.215 -3.735 1.00 . A A . 30 HIS CD2 1 1 6 6543 1 1 30 HIS CE1 C 4.381 9.603 -2.453 1.00 . A A . 30 HIS CE1 1 1 6 6544 1 1 30 HIS CG C 2.369 10.317 -2.998 1.00 . A A . 30 HIS CG 1 1 6 6545 1 1 30 HIS H H -0.893 9.770 -3.584 1.00 . A A . 30 HIS H 1 1 6 6546 1 1 30 HIS HA H 0.378 11.446 -1.451 1.00 . A A . 30 HIS HA 1 1 6 6547 1 1 30 HIS HB2 H 0.990 11.135 -4.401 1.00 . A A . 30 HIS HB2 1 1 6 6548 1 1 30 HIS HB3 H 1.716 12.320 -3.337 1.00 . A A . 30 HIS HB3 1 1 6 6549 1 1 30 HIS HD1 H 3.564 11.369 -1.611 1.00 . A A . 30 HIS HD1 1 1 6 6550 1 1 30 HIS HD2 H 2.088 8.833 -4.553 1.00 . A A . 30 HIS HD2 1 1 6 6551 1 1 30 HIS HE1 H 5.383 9.531 -2.061 1.00 . A A . 30 HIS HE1 1 1 6 6552 1 1 30 HIS N N -0.638 10.024 -2.636 1.00 . A A . 30 HIS N 1 1 6 6553 1 1 30 HIS ND1 N 3.457 10.556 -2.192 1.00 . A A . 30 HIS ND1 1 1 6 6554 1 1 30 HIS NE2 N 3.933 8.764 -3.391 1.00 . A A . 30 HIS NE2 1 1 6 6555 1 1 30 HIS O O -1.131 12.584 -4.097 1.00 . A A . 30 HIS O 1 1 6 6556 1 1 31 GLU C C -1.445 15.537 -2.675 1.00 . A A . 31 GLU C 1 1 6 6557 1 1 31 GLU CA C -2.242 14.323 -2.187 1.00 . A A . 31 GLU CA 1 1 6 6558 1 1 31 GLU CB C -3.039 14.632 -0.908 1.00 . A A . 31 GLU CB 1 1 6 6559 1 1 31 GLU CD C -4.904 13.888 0.606 1.00 . A A . 31 GLU CD 1 1 6 6560 1 1 31 GLU CG C -4.049 13.534 -0.605 1.00 . A A . 31 GLU CG 1 1 6 6561 1 1 31 GLU H H -1.085 12.987 -0.988 1.00 . A A . 31 GLU H 1 1 6 6562 1 1 31 GLU HA H -2.949 14.061 -2.977 1.00 . A A . 31 GLU HA 1 1 6 6563 1 1 31 GLU HB2 H -2.382 14.714 -0.039 1.00 . A A . 31 GLU HB2 1 1 6 6564 1 1 31 GLU HB3 H -3.603 15.559 -1.033 1.00 . A A . 31 GLU HB3 1 1 6 6565 1 1 31 GLU HG2 H -4.687 13.436 -1.477 1.00 . A A . 31 GLU HG2 1 1 6 6566 1 1 31 GLU HG3 H -3.533 12.596 -0.416 1.00 . A A . 31 GLU HG3 1 1 6 6567 1 1 31 GLU N N -1.352 13.199 -1.939 1.00 . A A . 31 GLU N 1 1 6 6568 1 1 31 GLU O O -1.060 15.630 -3.838 1.00 . A A . 31 GLU O 1 1 6 6569 1 1 31 GLU OE1 O -4.307 14.372 1.593 1.00 . A A . 31 GLU OE1 1 1 6 6570 1 1 31 GLU OE2 O -6.134 13.695 0.515 1.00 . A A . 31 GLU OE2 1 1 6 6571 1 1 32 GLY C C 0.932 17.606 -2.325 1.00 . A A . 32 GLY C 1 1 6 6572 1 1 32 GLY CA C -0.565 17.761 -2.057 1.00 . A A . 32 GLY CA 1 1 6 6573 1 1 32 GLY H H -1.597 16.337 -0.850 1.00 . A A . 32 GLY H 1 1 6 6574 1 1 32 GLY HA2 H -1.040 18.226 -2.921 1.00 . A A . 32 GLY HA2 1 1 6 6575 1 1 32 GLY HA3 H -0.704 18.417 -1.197 1.00 . A A . 32 GLY HA3 1 1 6 6576 1 1 32 GLY N N -1.210 16.487 -1.769 1.00 . A A . 32 GLY N 1 1 6 6577 1 1 32 GLY O O 1.744 18.047 -1.516 1.00 . A A . 32 GLY O 1 1 6 6578 1 1 33 THR C C 3.304 15.628 -3.302 1.00 . A A . 33 THR C 1 1 6 6579 1 1 33 THR CA C 2.622 16.818 -3.993 1.00 . A A . 33 THR CA 1 1 6 6580 1 1 33 THR CB C 3.459 18.106 -3.885 1.00 . A A . 33 THR CB 1 1 6 6581 1 1 33 THR CG2 C 4.748 18.019 -4.707 1.00 . A A . 33 THR CG2 1 1 6 6582 1 1 33 THR H H 0.505 16.624 -4.014 1.00 . A A . 33 THR H 1 1 6 6583 1 1 33 THR HA H 2.482 16.613 -5.053 1.00 . A A . 33 THR HA 1 1 6 6584 1 1 33 THR HB H 3.738 18.287 -2.846 1.00 . A A . 33 THR HB 1 1 6 6585 1 1 33 THR HG1 H 3.100 20.015 -4.058 1.00 . A A . 33 THR HG1 1 1 6 6586 1 1 33 THR HG21 H 5.371 17.196 -4.354 1.00 . A A . 33 THR HG21 1 1 6 6587 1 1 33 THR HG22 H 4.510 17.867 -5.760 1.00 . A A . 33 THR HG22 1 1 6 6588 1 1 33 THR HG23 H 5.310 18.947 -4.604 1.00 . A A . 33 THR HG23 1 1 6 6589 1 1 33 THR N N 1.272 17.007 -3.471 1.00 . A A . 33 THR N 1 1 6 6590 1 1 33 THR O O 3.360 15.582 -2.074 1.00 . A A . 33 THR O 1 1 6 6591 1 1 33 THR OG1 O 2.703 19.199 -4.374 1.00 . A A . 33 THR OG1 1 1 6 6592 1 1 34 PRO C C 5.872 13.915 -2.923 1.00 . A A . 34 PRO C 1 1 6 6593 1 1 34 PRO CA C 4.498 13.507 -3.450 1.00 . A A . 34 PRO CA 1 1 6 6594 1 1 34 PRO CB C 4.622 12.465 -4.556 1.00 . A A . 34 PRO CB 1 1 6 6595 1 1 34 PRO CD C 3.811 14.514 -5.497 1.00 . A A . 34 PRO CD 1 1 6 6596 1 1 34 PRO CG C 4.719 13.323 -5.806 1.00 . A A . 34 PRO CG 1 1 6 6597 1 1 34 PRO HA H 3.898 13.104 -2.641 1.00 . A A . 34 PRO HA 1 1 6 6598 1 1 34 PRO HB2 H 5.485 11.815 -4.415 1.00 . A A . 34 PRO HB2 1 1 6 6599 1 1 34 PRO HB3 H 3.716 11.870 -4.637 1.00 . A A . 34 PRO HB3 1 1 6 6600 1 1 34 PRO HD2 H 4.193 15.405 -5.996 1.00 . A A . 34 PRO HD2 1 1 6 6601 1 1 34 PRO HD3 H 2.795 14.298 -5.832 1.00 . A A . 34 PRO HD3 1 1 6 6602 1 1 34 PRO HG2 H 5.750 13.653 -5.914 1.00 . A A . 34 PRO HG2 1 1 6 6603 1 1 34 PRO HG3 H 4.389 12.764 -6.676 1.00 . A A . 34 PRO HG3 1 1 6 6604 1 1 34 PRO N N 3.824 14.641 -4.049 1.00 . A A . 34 PRO N 1 1 6 6605 1 1 34 PRO O O 6.630 14.601 -3.605 1.00 . A A . 34 PRO O 1 1 6 6606 1 1 35 ALA C C 7.670 12.518 -0.079 1.00 . A A . 35 ALA C 1 1 6 6607 1 1 35 ALA CA C 7.498 13.645 -1.094 1.00 . A A . 35 ALA CA 1 1 6 6608 1 1 35 ALA CB C 7.556 15.034 -0.447 1.00 . A A . 35 ALA CB 1 1 6 6609 1 1 35 ALA H H 5.519 12.937 -1.182 1.00 . A A . 35 ALA H 1 1 6 6610 1 1 35 ALA HA H 8.291 13.571 -1.840 1.00 . A A . 35 ALA HA 1 1 6 6611 1 1 35 ALA HB1 H 6.753 15.142 0.284 1.00 . A A . 35 ALA HB1 1 1 6 6612 1 1 35 ALA HB2 H 8.516 15.169 0.051 1.00 . A A . 35 ALA HB2 1 1 6 6613 1 1 35 ALA HB3 H 7.444 15.801 -1.214 1.00 . A A . 35 ALA HB3 1 1 6 6614 1 1 35 ALA N N 6.200 13.456 -1.715 1.00 . A A . 35 ALA N 1 1 6 6615 1 1 35 ALA O O 7.700 12.773 1.122 1.00 . A A . 35 ALA O 1 1 6 6616 1 1 36 LYS C C 6.436 9.842 1.008 1.00 . A A . 36 LYS C 1 1 6 6617 1 1 36 LYS CA C 7.688 10.016 0.132 1.00 . A A . 36 LYS CA 1 1 6 6618 1 1 36 LYS CB C 9.019 9.729 0.838 1.00 . A A . 36 LYS CB 1 1 6 6619 1 1 36 LYS CD C 10.583 10.052 2.740 1.00 . A A . 36 LYS CD 1 1 6 6620 1 1 36 LYS CE C 9.914 9.186 3.816 1.00 . A A . 36 LYS CE 1 1 6 6621 1 1 36 LYS CG C 9.506 10.732 1.889 1.00 . A A . 36 LYS CG 1 1 6 6622 1 1 36 LYS H H 7.807 11.178 -1.585 1.00 . A A . 36 LYS H 1 1 6 6623 1 1 36 LYS HA H 7.598 9.255 -0.643 1.00 . A A . 36 LYS HA 1 1 6 6624 1 1 36 LYS HB2 H 8.908 8.780 1.337 1.00 . A A . 36 LYS HB2 1 1 6 6625 1 1 36 LYS HB3 H 9.798 9.621 0.082 1.00 . A A . 36 LYS HB3 1 1 6 6626 1 1 36 LYS HD2 H 11.220 9.450 2.086 1.00 . A A . 36 LYS HD2 1 1 6 6627 1 1 36 LYS HD3 H 11.197 10.817 3.221 1.00 . A A . 36 LYS HD3 1 1 6 6628 1 1 36 LYS HE2 H 9.597 9.847 4.618 1.00 . A A . 36 LYS HE2 1 1 6 6629 1 1 36 LYS HE3 H 9.017 8.702 3.432 1.00 . A A . 36 LYS HE3 1 1 6 6630 1 1 36 LYS HG2 H 9.936 11.599 1.385 1.00 . A A . 36 LYS HG2 1 1 6 6631 1 1 36 LYS HG3 H 8.686 11.057 2.531 1.00 . A A . 36 LYS HG3 1 1 6 6632 1 1 36 LYS HZ1 H 11.712 8.440 4.549 1.00 . A A . 36 LYS HZ1 1 1 6 6633 1 1 36 LYS HZ2 H 10.375 7.599 5.048 1.00 . A A . 36 LYS HZ2 1 1 6 6634 1 1 36 LYS HZ3 H 10.894 7.433 3.516 1.00 . A A . 36 LYS HZ3 1 1 6 6635 1 1 36 LYS N N 7.742 11.278 -0.588 1.00 . A A . 36 LYS N 1 1 6 6636 1 1 36 LYS NZ N 10.801 8.102 4.285 1.00 . A A . 36 LYS NZ 1 1 6 6637 1 1 36 LYS O O 5.717 10.801 1.278 1.00 . A A . 36 LYS O 1 1 6 6638 1 1 37 ILE C C 5.697 7.479 3.569 1.00 . A A . 37 ILE C 1 1 6 6639 1 1 37 ILE CA C 5.117 8.308 2.428 1.00 . A A . 37 ILE CA 1 1 6 6640 1 1 37 ILE CB C 3.888 7.599 1.830 1.00 . A A . 37 ILE CB 1 1 6 6641 1 1 37 ILE CD1 C 2.214 7.669 -0.098 1.00 . A A . 37 ILE CD1 1 1 6 6642 1 1 37 ILE CG1 C 3.540 8.180 0.460 1.00 . A A . 37 ILE CG1 1 1 6 6643 1 1 37 ILE CG2 C 2.703 7.719 2.800 1.00 . A A . 37 ILE CG2 1 1 6 6644 1 1 37 ILE H H 6.669 7.831 0.997 1.00 . A A . 37 ILE H 1 1 6 6645 1 1 37 ILE HA H 4.782 9.241 2.873 1.00 . A A . 37 ILE HA 1 1 6 6646 1 1 37 ILE HB H 4.118 6.545 1.690 1.00 . A A . 37 ILE HB 1 1 6 6647 1 1 37 ILE HD11 H 1.380 8.139 0.424 1.00 . A A . 37 ILE HD11 1 1 6 6648 1 1 37 ILE HD12 H 2.150 7.924 -1.154 1.00 . A A . 37 ILE HD12 1 1 6 6649 1 1 37 ILE HD13 H 2.152 6.588 0.018 1.00 . A A . 37 ILE HD13 1 1 6 6650 1 1 37 ILE HG12 H 3.490 9.263 0.527 1.00 . A A . 37 ILE HG12 1 1 6 6651 1 1 37 ILE HG13 H 4.335 7.888 -0.224 1.00 . A A . 37 ILE HG13 1 1 6 6652 1 1 37 ILE HG21 H 2.394 8.761 2.885 1.00 . A A . 37 ILE HG21 1 1 6 6653 1 1 37 ILE HG22 H 1.860 7.128 2.444 1.00 . A A . 37 ILE HG22 1 1 6 6654 1 1 37 ILE HG23 H 2.975 7.349 3.788 1.00 . A A . 37 ILE HG23 1 1 6 6655 1 1 37 ILE N N 6.146 8.597 1.415 1.00 . A A . 37 ILE N 1 1 6 6656 1 1 37 ILE O O 5.444 7.738 4.741 1.00 . A A . 37 ILE O 1 1 6 6657 1 1 38 ALA C C 6.410 4.273 4.258 1.00 . A A . 38 ALA C 1 1 6 6658 1 1 38 ALA CA C 7.227 5.522 3.985 1.00 . A A . 38 ALA CA 1 1 6 6659 1 1 38 ALA CB C 7.767 6.169 5.253 1.00 . A A . 38 ALA CB 1 1 6 6660 1 1 38 ALA H H 6.511 6.315 2.203 1.00 . A A . 38 ALA H 1 1 6 6661 1 1 38 ALA HA H 8.090 5.229 3.385 1.00 . A A . 38 ALA HA 1 1 6 6662 1 1 38 ALA HB1 H 6.980 6.281 5.995 1.00 . A A . 38 ALA HB1 1 1 6 6663 1 1 38 ALA HB2 H 8.563 5.548 5.663 1.00 . A A . 38 ALA HB2 1 1 6 6664 1 1 38 ALA HB3 H 8.156 7.143 4.972 1.00 . A A . 38 ALA HB3 1 1 6 6665 1 1 38 ALA N N 6.458 6.457 3.186 1.00 . A A . 38 ALA N 1 1 6 6666 1 1 38 ALA O O 6.875 3.184 3.954 1.00 . A A . 38 ALA O 1 1 6 6667 1 1 39 ILE C C 4.897 2.307 6.011 1.00 . A A . 39 ILE C 1 1 6 6668 1 1 39 ILE CA C 4.254 3.438 5.203 1.00 . A A . 39 ILE CA 1 1 6 6669 1 1 39 ILE CB C 3.429 2.906 4.030 1.00 . A A . 39 ILE CB 1 1 6 6670 1 1 39 ILE CD1 C 1.475 4.595 4.200 1.00 . A A . 39 ILE CD1 1 1 6 6671 1 1 39 ILE CG1 C 2.629 4.037 3.362 1.00 . A A . 39 ILE CG1 1 1 6 6672 1 1 39 ILE CG2 C 2.524 1.755 4.507 1.00 . A A . 39 ILE CG2 1 1 6 6673 1 1 39 ILE H H 4.887 5.426 4.841 1.00 . A A . 39 ILE H 1 1 6 6674 1 1 39 ILE HA H 3.562 3.948 5.871 1.00 . A A . 39 ILE HA 1 1 6 6675 1 1 39 ILE HB H 4.120 2.512 3.288 1.00 . A A . 39 ILE HB 1 1 6 6676 1 1 39 ILE HD11 H 1.858 5.151 5.055 1.00 . A A . 39 ILE HD11 1 1 6 6677 1 1 39 ILE HD12 H 0.885 5.274 3.584 1.00 . A A . 39 ILE HD12 1 1 6 6678 1 1 39 ILE HD13 H 0.824 3.793 4.540 1.00 . A A . 39 ILE HD13 1 1 6 6679 1 1 39 ILE HG12 H 3.291 4.854 3.080 1.00 . A A . 39 ILE HG12 1 1 6 6680 1 1 39 ILE HG13 H 2.210 3.638 2.449 1.00 . A A . 39 ILE HG13 1 1 6 6681 1 1 39 ILE HG21 H 1.763 1.528 3.770 1.00 . A A . 39 ILE HG21 1 1 6 6682 1 1 39 ILE HG22 H 3.113 0.852 4.664 1.00 . A A . 39 ILE HG22 1 1 6 6683 1 1 39 ILE HG23 H 2.031 2.021 5.441 1.00 . A A . 39 ILE HG23 1 1 6 6684 1 1 39 ILE N N 5.193 4.467 4.773 1.00 . A A . 39 ILE N 1 1 6 6685 1 1 39 ILE O O 5.543 1.409 5.478 1.00 . A A . 39 ILE O 1 1 6 6686 1 1 40 ASP C C 3.826 0.493 8.657 1.00 . A A . 40 ASP C 1 1 6 6687 1 1 40 ASP CA C 5.041 1.301 8.250 1.00 . A A . 40 ASP CA 1 1 6 6688 1 1 40 ASP CB C 5.614 1.950 9.515 1.00 . A A . 40 ASP CB 1 1 6 6689 1 1 40 ASP CG C 4.507 2.498 10.411 1.00 . A A . 40 ASP CG 1 1 6 6690 1 1 40 ASP H H 3.876 2.923 7.631 1.00 . A A . 40 ASP H 1 1 6 6691 1 1 40 ASP HA H 5.796 0.648 7.811 1.00 . A A . 40 ASP HA 1 1 6 6692 1 1 40 ASP HB2 H 6.159 1.191 10.078 1.00 . A A . 40 ASP HB2 1 1 6 6693 1 1 40 ASP HB3 H 6.321 2.717 9.243 1.00 . A A . 40 ASP HB3 1 1 6 6694 1 1 40 ASP N N 4.619 2.318 7.310 1.00 . A A . 40 ASP N 1 1 6 6695 1 1 40 ASP O O 2.701 0.774 8.238 1.00 . A A . 40 ASP O 1 1 6 6696 1 1 40 ASP OD1 O 3.623 3.212 9.885 1.00 . A A . 40 ASP OD1 1 1 6 6697 1 1 40 ASP OD2 O 4.485 2.089 11.592 1.00 . A A . 40 ASP OD2 1 1 6 6698 1 1 41 LYS C C 1.913 -0.436 10.674 1.00 . A A . 41 LYS C 1 1 6 6699 1 1 41 LYS CA C 3.081 -1.289 10.193 1.00 . A A . 41 LYS CA 1 1 6 6700 1 1 41 LYS CB C 3.741 -2.107 11.312 1.00 . A A . 41 LYS CB 1 1 6 6701 1 1 41 LYS CD C 2.030 -2.562 13.158 1.00 . A A . 41 LYS CD 1 1 6 6702 1 1 41 LYS CE C 1.057 -3.613 13.705 1.00 . A A . 41 LYS CE 1 1 6 6703 1 1 41 LYS CG C 2.801 -3.135 11.960 1.00 . A A . 41 LYS CG 1 1 6 6704 1 1 41 LYS H H 5.078 -0.673 9.645 1.00 . A A . 41 LYS H 1 1 6 6705 1 1 41 LYS HA H 2.694 -1.989 9.453 1.00 . A A . 41 LYS HA 1 1 6 6706 1 1 41 LYS HB2 H 4.557 -2.664 10.854 1.00 . A A . 41 LYS HB2 1 1 6 6707 1 1 41 LYS HB3 H 4.168 -1.448 12.070 1.00 . A A . 41 LYS HB3 1 1 6 6708 1 1 41 LYS HD2 H 2.753 -2.271 13.923 1.00 . A A . 41 LYS HD2 1 1 6 6709 1 1 41 LYS HD3 H 1.467 -1.681 12.860 1.00 . A A . 41 LYS HD3 1 1 6 6710 1 1 41 LYS HE2 H 0.363 -3.901 12.911 1.00 . A A . 41 LYS HE2 1 1 6 6711 1 1 41 LYS HE3 H 1.617 -4.498 14.015 1.00 . A A . 41 LYS HE3 1 1 6 6712 1 1 41 LYS HG2 H 2.118 -3.525 11.205 1.00 . A A . 41 LYS HG2 1 1 6 6713 1 1 41 LYS HG3 H 3.419 -3.957 12.321 1.00 . A A . 41 LYS HG3 1 1 6 6714 1 1 41 LYS HZ1 H -0.245 -2.281 14.573 1.00 . A A . 41 LYS HZ1 1 1 6 6715 1 1 41 LYS HZ2 H -0.357 -3.805 15.181 1.00 . A A . 41 LYS HZ2 1 1 6 6716 1 1 41 LYS HZ3 H 0.908 -2.844 15.606 1.00 . A A . 41 LYS HZ3 1 1 6 6717 1 1 41 LYS N N 4.078 -0.455 9.553 1.00 . A A . 41 LYS N 1 1 6 6718 1 1 41 LYS NZ N 0.284 -3.096 14.852 1.00 . A A . 41 LYS NZ 1 1 6 6719 1 1 41 LYS O O 0.764 -0.775 10.402 1.00 . A A . 41 LYS O 1 1 6 6720 1 1 42 LYS C C 0.317 2.079 10.726 1.00 . A A . 42 LYS C 1 1 6 6721 1 1 42 LYS CA C 1.162 1.545 11.882 1.00 . A A . 42 LYS CA 1 1 6 6722 1 1 42 LYS CB C 1.813 2.654 12.710 1.00 . A A . 42 LYS CB 1 1 6 6723 1 1 42 LYS CD C 1.377 4.436 14.462 1.00 . A A . 42 LYS CD 1 1 6 6724 1 1 42 LYS CE C 2.361 5.400 13.776 1.00 . A A . 42 LYS CE 1 1 6 6725 1 1 42 LYS CG C 0.757 3.449 13.463 1.00 . A A . 42 LYS CG 1 1 6 6726 1 1 42 LYS H H 3.142 0.955 11.570 1.00 . A A . 42 LYS H 1 1 6 6727 1 1 42 LYS HA H 0.515 0.961 12.539 1.00 . A A . 42 LYS HA 1 1 6 6728 1 1 42 LYS HB2 H 2.506 2.210 13.428 1.00 . A A . 42 LYS HB2 1 1 6 6729 1 1 42 LYS HB3 H 2.355 3.324 12.047 1.00 . A A . 42 LYS HB3 1 1 6 6730 1 1 42 LYS HD2 H 0.563 4.995 14.929 1.00 . A A . 42 LYS HD2 1 1 6 6731 1 1 42 LYS HD3 H 1.897 3.864 15.234 1.00 . A A . 42 LYS HD3 1 1 6 6732 1 1 42 LYS HE2 H 3.217 4.841 13.390 1.00 . A A . 42 LYS HE2 1 1 6 6733 1 1 42 LYS HE3 H 1.864 5.891 12.937 1.00 . A A . 42 LYS HE3 1 1 6 6734 1 1 42 LYS HG2 H 0.147 3.973 12.730 1.00 . A A . 42 LYS HG2 1 1 6 6735 1 1 42 LYS HG3 H 0.142 2.728 13.997 1.00 . A A . 42 LYS HG3 1 1 6 6736 1 1 42 LYS HZ1 H 3.366 5.981 15.471 1.00 . A A . 42 LYS HZ1 1 1 6 6737 1 1 42 LYS HZ2 H 3.530 7.022 14.213 1.00 . A A . 42 LYS HZ2 1 1 6 6738 1 1 42 LYS HZ3 H 2.125 6.989 15.067 1.00 . A A . 42 LYS HZ3 1 1 6 6739 1 1 42 LYS N N 2.184 0.650 11.402 1.00 . A A . 42 LYS N 1 1 6 6740 1 1 42 LYS NZ N 2.880 6.424 14.704 1.00 . A A . 42 LYS NZ 1 1 6 6741 1 1 42 LYS O O -0.875 1.801 10.704 1.00 . A A . 42 LYS O 1 1 6 6742 1 1 43 SER C C -0.671 2.334 7.923 1.00 . A A . 43 SER C 1 1 6 6743 1 1 43 SER CA C 0.077 3.424 8.703 1.00 . A A . 43 SER CA 1 1 6 6744 1 1 43 SER CB C 0.971 4.243 7.774 1.00 . A A . 43 SER CB 1 1 6 6745 1 1 43 SER H H 1.886 3.037 9.814 1.00 . A A . 43 SER H 1 1 6 6746 1 1 43 SER HA H -0.659 4.100 9.138 1.00 . A A . 43 SER HA 1 1 6 6747 1 1 43 SER HB2 H 1.771 3.613 7.389 1.00 . A A . 43 SER HB2 1 1 6 6748 1 1 43 SER HB3 H 0.373 4.610 6.940 1.00 . A A . 43 SER HB3 1 1 6 6749 1 1 43 SER HG H 0.827 5.887 8.820 1.00 . A A . 43 SER HG 1 1 6 6750 1 1 43 SER N N 0.875 2.849 9.786 1.00 . A A . 43 SER N 1 1 6 6751 1 1 43 SER O O -1.895 2.390 7.765 1.00 . A A . 43 SER O 1 1 6 6752 1 1 43 SER OG O 1.531 5.341 8.466 1.00 . A A . 43 SER OG 1 1 6 6753 1 1 44 ALA C C -1.642 -0.419 7.445 1.00 . A A . 44 ALA C 1 1 6 6754 1 1 44 ALA CA C -0.384 0.140 6.786 1.00 . A A . 44 ALA CA 1 1 6 6755 1 1 44 ALA CB C 0.743 -0.888 6.811 1.00 . A A . 44 ALA CB 1 1 6 6756 1 1 44 ALA H H 1.075 1.379 7.653 1.00 . A A . 44 ALA H 1 1 6 6757 1 1 44 ALA HA H -0.594 0.357 5.742 1.00 . A A . 44 ALA HA 1 1 6 6758 1 1 44 ALA HB1 H 1.033 -1.126 7.832 1.00 . A A . 44 ALA HB1 1 1 6 6759 1 1 44 ALA HB2 H 0.389 -1.796 6.328 1.00 . A A . 44 ALA HB2 1 1 6 6760 1 1 44 ALA HB3 H 1.615 -0.478 6.297 1.00 . A A . 44 ALA HB3 1 1 6 6761 1 1 44 ALA N N 0.083 1.340 7.455 1.00 . A A . 44 ALA N 1 1 6 6762 1 1 44 ALA O O -2.714 -0.435 6.837 1.00 . A A . 44 ALA O 1 1 6 6763 1 1 45 HIS C C -3.549 -0.502 10.057 1.00 . A A . 45 HIS C 1 1 6 6764 1 1 45 HIS CA C -2.578 -1.512 9.432 1.00 . A A . 45 HIS CA 1 1 6 6765 1 1 45 HIS CB C -2.001 -2.512 10.444 1.00 . A A . 45 HIS CB 1 1 6 6766 1 1 45 HIS CD2 C -0.467 -4.233 9.230 1.00 . A A . 45 HIS CD2 1 1 6 6767 1 1 45 HIS CE1 C -1.964 -5.794 8.891 1.00 . A A . 45 HIS CE1 1 1 6 6768 1 1 45 HIS CG C -1.656 -3.831 9.797 1.00 . A A . 45 HIS CG 1 1 6 6769 1 1 45 HIS H H -0.606 -0.772 9.159 1.00 . A A . 45 HIS H 1 1 6 6770 1 1 45 HIS HA H -3.160 -2.100 8.724 1.00 . A A . 45 HIS HA 1 1 6 6771 1 1 45 HIS HB2 H -1.145 -2.103 10.973 1.00 . A A . 45 HIS HB2 1 1 6 6772 1 1 45 HIS HB3 H -2.768 -2.725 11.190 1.00 . A A . 45 HIS HB3 1 1 6 6773 1 1 45 HIS HD1 H -3.551 -4.811 9.842 1.00 . A A . 45 HIS HD1 1 1 6 6774 1 1 45 HIS HD2 H 0.457 -3.677 9.197 1.00 . A A . 45 HIS HD2 1 1 6 6775 1 1 45 HIS HE1 H -2.455 -6.695 8.576 1.00 . A A . 45 HIS HE1 1 1 6 6776 1 1 45 HIS N N -1.505 -0.870 8.694 1.00 . A A . 45 HIS N 1 1 6 6777 1 1 45 HIS ND1 N -2.580 -4.818 9.566 1.00 . A A . 45 HIS ND1 1 1 6 6778 1 1 45 HIS NE2 N -0.674 -5.503 8.666 1.00 . A A . 45 HIS NE2 1 1 6 6779 1 1 45 HIS O O -4.597 -0.906 10.567 1.00 . A A . 45 HIS O 1 1 6 6780 1 1 46 LYS C C -5.287 1.860 9.328 1.00 . A A . 46 LYS C 1 1 6 6781 1 1 46 LYS CA C -4.200 1.834 10.387 1.00 . A A . 46 LYS CA 1 1 6 6782 1 1 46 LYS CB C -3.487 3.187 10.612 1.00 . A A . 46 LYS CB 1 1 6 6783 1 1 46 LYS CD C -5.662 4.503 11.173 1.00 . A A . 46 LYS CD 1 1 6 6784 1 1 46 LYS CE C -5.505 4.480 12.700 1.00 . A A . 46 LYS CE 1 1 6 6785 1 1 46 LYS CG C -4.306 4.481 10.461 1.00 . A A . 46 LYS CG 1 1 6 6786 1 1 46 LYS H H -2.416 1.094 9.493 1.00 . A A . 46 LYS H 1 1 6 6787 1 1 46 LYS HA H -4.659 1.546 11.334 1.00 . A A . 46 LYS HA 1 1 6 6788 1 1 46 LYS HB2 H -3.035 3.166 11.604 1.00 . A A . 46 LYS HB2 1 1 6 6789 1 1 46 LYS HB3 H -2.682 3.287 9.893 1.00 . A A . 46 LYS HB3 1 1 6 6790 1 1 46 LYS HD2 H -6.162 5.420 10.858 1.00 . A A . 46 LYS HD2 1 1 6 6791 1 1 46 LYS HD3 H -6.266 3.666 10.826 1.00 . A A . 46 LYS HD3 1 1 6 6792 1 1 46 LYS HE2 H -5.048 3.537 13.006 1.00 . A A . 46 LYS HE2 1 1 6 6793 1 1 46 LYS HE3 H -4.846 5.296 13.005 1.00 . A A . 46 LYS HE3 1 1 6 6794 1 1 46 LYS HG2 H -3.695 5.312 10.823 1.00 . A A . 46 LYS HG2 1 1 6 6795 1 1 46 LYS HG3 H -4.483 4.676 9.401 1.00 . A A . 46 LYS HG3 1 1 6 6796 1 1 46 LYS HZ1 H -7.231 5.516 13.129 1.00 . A A . 46 LYS HZ1 1 1 6 6797 1 1 46 LYS HZ2 H -7.425 3.881 13.142 1.00 . A A . 46 LYS HZ2 1 1 6 6798 1 1 46 LYS HZ3 H -6.663 4.630 14.391 1.00 . A A . 46 LYS HZ3 1 1 6 6799 1 1 46 LYS N N -3.264 0.801 9.972 1.00 . A A . 46 LYS N 1 1 6 6800 1 1 46 LYS NZ N -6.803 4.638 13.390 1.00 . A A . 46 LYS NZ 1 1 6 6801 1 1 46 LYS O O -6.359 1.296 9.552 1.00 . A A . 46 LYS O 1 1 6 6802 1 1 47 ASP C C -5.339 3.287 5.907 1.00 . A A . 47 ASP C 1 1 6 6803 1 1 47 ASP CA C -6.019 2.746 7.168 1.00 . A A . 47 ASP CA 1 1 6 6804 1 1 47 ASP CB C -7.131 3.680 7.698 1.00 . A A . 47 ASP CB 1 1 6 6805 1 1 47 ASP CG C -8.445 3.531 6.939 1.00 . A A . 47 ASP CG 1 1 6 6806 1 1 47 ASP H H -4.076 2.863 8.055 1.00 . A A . 47 ASP H 1 1 6 6807 1 1 47 ASP HA H -6.445 1.773 6.926 1.00 . A A . 47 ASP HA 1 1 6 6808 1 1 47 ASP HB2 H -7.376 3.453 8.733 1.00 . A A . 47 ASP HB2 1 1 6 6809 1 1 47 ASP HB3 H -6.798 4.717 7.648 1.00 . A A . 47 ASP HB3 1 1 6 6810 1 1 47 ASP N N -5.017 2.512 8.198 1.00 . A A . 47 ASP N 1 1 6 6811 1 1 47 ASP O O -5.791 4.256 5.301 1.00 . A A . 47 ASP O 1 1 6 6812 1 1 47 ASP OD1 O -8.809 2.370 6.633 1.00 . A A . 47 ASP OD1 1 1 6 6813 1 1 47 ASP OD2 O -9.105 4.569 6.728 1.00 . A A . 47 ASP OD2 1 1 6 6814 1 1 48 ALA C C -3.900 1.882 3.229 1.00 . A A . 48 ALA C 1 1 6 6815 1 1 48 ALA CA C -3.512 2.926 4.288 1.00 . A A . 48 ALA CA 1 1 6 6816 1 1 48 ALA CB C -1.996 2.997 4.532 1.00 . A A . 48 ALA CB 1 1 6 6817 1 1 48 ALA H H -3.858 1.962 6.182 1.00 . A A . 48 ALA H 1 1 6 6818 1 1 48 ALA HA H -3.806 3.900 3.895 1.00 . A A . 48 ALA HA 1 1 6 6819 1 1 48 ALA HB1 H -1.767 3.857 5.162 1.00 . A A . 48 ALA HB1 1 1 6 6820 1 1 48 ALA HB2 H -1.630 2.108 5.041 1.00 . A A . 48 ALA HB2 1 1 6 6821 1 1 48 ALA HB3 H -1.467 3.108 3.584 1.00 . A A . 48 ALA HB3 1 1 6 6822 1 1 48 ALA N N -4.211 2.665 5.546 1.00 . A A . 48 ALA N 1 1 6 6823 1 1 48 ALA O O -4.708 2.149 2.342 1.00 . A A . 48 ALA O 1 1 6 6824 1 1 49 CYS C C -4.800 -1.024 2.381 1.00 . A A . 49 CYS C 1 1 6 6825 1 1 49 CYS CA C -3.433 -0.341 2.274 1.00 . A A . 49 CYS CA 1 1 6 6826 1 1 49 CYS CB C -2.316 -1.349 2.417 1.00 . A A . 49 CYS CB 1 1 6 6827 1 1 49 CYS H H -2.626 0.545 4.030 1.00 . A A . 49 CYS H 1 1 6 6828 1 1 49 CYS HA H -3.368 0.120 1.290 1.00 . A A . 49 CYS HA 1 1 6 6829 1 1 49 CYS HB2 H -2.539 -1.979 3.264 1.00 . A A . 49 CYS HB2 1 1 6 6830 1 1 49 CYS HB3 H -2.274 -1.984 1.532 1.00 . A A . 49 CYS HB3 1 1 6 6831 1 1 49 CYS N N -3.300 0.692 3.298 1.00 . A A . 49 CYS N 1 1 6 6832 1 1 49 CYS O O -5.571 -1.101 1.421 1.00 . A A . 49 CYS O 1 1 6 6833 1 1 49 CYS SG S -0.681 -0.623 2.776 1.00 . A A . 49 CYS SG 1 1 6 6834 1 1 50 LYS C C -7.545 -1.145 4.026 1.00 . A A . 50 LYS C 1 1 6 6835 1 1 50 LYS CA C -6.379 -2.144 3.957 1.00 . A A . 50 LYS CA 1 1 6 6836 1 1 50 LYS CB C -6.197 -2.878 5.294 1.00 . A A . 50 LYS CB 1 1 6 6837 1 1 50 LYS CD C -6.026 -2.161 7.746 1.00 . A A . 50 LYS CD 1 1 6 6838 1 1 50 LYS CE C -7.388 -1.489 7.962 1.00 . A A . 50 LYS CE 1 1 6 6839 1 1 50 LYS CG C -5.498 -1.978 6.324 1.00 . A A . 50 LYS CG 1 1 6 6840 1 1 50 LYS H H -4.439 -1.346 4.319 1.00 . A A . 50 LYS H 1 1 6 6841 1 1 50 LYS HA H -6.630 -2.885 3.196 1.00 . A A . 50 LYS HA 1 1 6 6842 1 1 50 LYS HB2 H -7.166 -3.217 5.665 1.00 . A A . 50 LYS HB2 1 1 6 6843 1 1 50 LYS HB3 H -5.584 -3.766 5.140 1.00 . A A . 50 LYS HB3 1 1 6 6844 1 1 50 LYS HD2 H -6.054 -3.220 8.012 1.00 . A A . 50 LYS HD2 1 1 6 6845 1 1 50 LYS HD3 H -5.302 -1.662 8.378 1.00 . A A . 50 LYS HD3 1 1 6 6846 1 1 50 LYS HE2 H -7.469 -0.592 7.342 1.00 . A A . 50 LYS HE2 1 1 6 6847 1 1 50 LYS HE3 H -8.186 -2.176 7.675 1.00 . A A . 50 LYS HE3 1 1 6 6848 1 1 50 LYS HG2 H -4.435 -2.226 6.315 1.00 . A A . 50 LYS HG2 1 1 6 6849 1 1 50 LYS HG3 H -5.599 -0.921 6.067 1.00 . A A . 50 LYS HG3 1 1 6 6850 1 1 50 LYS HZ1 H -8.474 -0.669 9.500 1.00 . A A . 50 LYS HZ1 1 1 6 6851 1 1 50 LYS HZ2 H -7.389 -1.814 10.009 1.00 . A A . 50 LYS HZ2 1 1 6 6852 1 1 50 LYS HZ3 H -6.887 -0.311 9.560 1.00 . A A . 50 LYS HZ3 1 1 6 6853 1 1 50 LYS N N -5.121 -1.492 3.591 1.00 . A A . 50 LYS N 1 1 6 6854 1 1 50 LYS NZ N -7.554 -1.056 9.363 1.00 . A A . 50 LYS NZ 1 1 6 6855 1 1 50 LYS O O -8.341 -1.167 4.966 1.00 . A A . 50 LYS O 1 1 6 6856 1 1 51 THR C C -9.190 0.684 1.476 1.00 . A A . 51 THR C 1 1 6 6857 1 1 51 THR CA C -8.656 0.753 2.896 1.00 . A A . 51 THR CA 1 1 6 6858 1 1 51 THR CB C -8.012 2.088 3.284 1.00 . A A . 51 THR CB 1 1 6 6859 1 1 51 THR CG2 C -9.037 3.212 3.444 1.00 . A A . 51 THR CG2 1 1 6 6860 1 1 51 THR H H -6.951 -0.339 2.293 1.00 . A A . 51 THR H 1 1 6 6861 1 1 51 THR HA H -9.477 0.566 3.576 1.00 . A A . 51 THR HA 1 1 6 6862 1 1 51 THR HB H -7.259 2.396 2.559 1.00 . A A . 51 THR HB 1 1 6 6863 1 1 51 THR HG1 H -8.009 1.933 5.222 1.00 . A A . 51 THR HG1 1 1 6 6864 1 1 51 THR HG21 H -9.799 2.935 4.173 1.00 . A A . 51 THR HG21 1 1 6 6865 1 1 51 THR HG22 H -8.531 4.112 3.798 1.00 . A A . 51 THR HG22 1 1 6 6866 1 1 51 THR HG23 H -9.514 3.427 2.488 1.00 . A A . 51 THR HG23 1 1 6 6867 1 1 51 THR N N -7.663 -0.297 3.009 1.00 . A A . 51 THR N 1 1 6 6868 1 1 51 THR O O -10.280 0.159 1.246 1.00 . A A . 51 THR O 1 1 6 6869 1 1 51 THR OG1 O -7.354 1.867 4.507 1.00 . A A . 51 THR OG1 1 1 6 6870 1 1 52 CYS C C -8.964 -0.620 -1.147 1.00 . A A . 52 CYS C 1 1 6 6871 1 1 52 CYS CA C -8.601 0.836 -0.893 1.00 . A A . 52 CYS CA 1 1 6 6872 1 1 52 CYS CB C -7.326 1.104 -1.626 1.00 . A A . 52 CYS CB 1 1 6 6873 1 1 52 CYS H H -7.471 1.487 0.762 1.00 . A A . 52 CYS H 1 1 6 6874 1 1 52 CYS HA H -9.404 1.481 -1.249 1.00 . A A . 52 CYS HA 1 1 6 6875 1 1 52 CYS HB2 H -6.462 0.781 -1.043 1.00 . A A . 52 CYS HB2 1 1 6 6876 1 1 52 CYS HB3 H -7.331 0.528 -2.549 1.00 . A A . 52 CYS HB3 1 1 6 6877 1 1 52 CYS N N -8.366 1.088 0.515 1.00 . A A . 52 CYS N 1 1 6 6878 1 1 52 CYS O O -9.950 -0.938 -1.821 1.00 . A A . 52 CYS O 1 1 6 6879 1 1 52 CYS SG S -7.176 2.849 -2.038 1.00 . A A . 52 CYS SG 1 1 6 6880 1 1 53 HIS C C -9.631 -3.445 -0.383 1.00 . A A . 53 HIS C 1 1 6 6881 1 1 53 HIS CA C -8.295 -2.922 -0.946 1.00 . A A . 53 HIS CA 1 1 6 6882 1 1 53 HIS CB C -7.101 -3.731 -0.441 1.00 . A A . 53 HIS CB 1 1 6 6883 1 1 53 HIS CD2 C -5.314 -2.557 -1.990 1.00 . A A . 53 HIS CD2 1 1 6 6884 1 1 53 HIS CE1 C -3.568 -3.651 -1.275 1.00 . A A . 53 HIS CE1 1 1 6 6885 1 1 53 HIS CG C -5.722 -3.428 -0.999 1.00 . A A . 53 HIS CG 1 1 6 6886 1 1 53 HIS H H -7.297 -1.224 -0.132 1.00 . A A . 53 HIS H 1 1 6 6887 1 1 53 HIS HA H -8.316 -3.032 -2.030 1.00 . A A . 53 HIS HA 1 1 6 6888 1 1 53 HIS HB2 H -7.052 -3.630 0.643 1.00 . A A . 53 HIS HB2 1 1 6 6889 1 1 53 HIS HB3 H -7.312 -4.775 -0.677 1.00 . A A . 53 HIS HB3 1 1 6 6890 1 1 53 HIS HD1 H -4.569 -4.868 0.085 1.00 . A A . 53 HIS HD1 1 1 6 6891 1 1 53 HIS HD2 H -5.896 -1.881 -2.592 1.00 . A A . 53 HIS HD2 1 1 6 6892 1 1 53 HIS HE1 H -2.564 -4.016 -1.174 1.00 . A A . 53 HIS HE1 1 1 6 6893 1 1 53 HIS N N -8.124 -1.522 -0.642 1.00 . A A . 53 HIS N 1 1 6 6894 1 1 53 HIS ND1 N -4.611 -4.107 -0.572 1.00 . A A . 53 HIS ND1 1 1 6 6895 1 1 53 HIS NE2 N -3.928 -2.708 -2.153 1.00 . A A . 53 HIS NE2 1 1 6 6896 1 1 53 HIS O O -10.136 -4.448 -0.882 1.00 . A A . 53 HIS O 1 1 6 6897 1 1 54 LYS C C -12.596 -2.871 -0.031 1.00 . A A . 54 LYS C 1 1 6 6898 1 1 54 LYS CA C -11.577 -3.136 1.074 1.00 . A A . 54 LYS CA 1 1 6 6899 1 1 54 LYS CB C -11.992 -2.332 2.311 1.00 . A A . 54 LYS CB 1 1 6 6900 1 1 54 LYS CD C -11.553 -1.892 4.758 1.00 . A A . 54 LYS CD 1 1 6 6901 1 1 54 LYS CE C -11.673 -0.357 4.793 1.00 . A A . 54 LYS CE 1 1 6 6902 1 1 54 LYS CG C -10.973 -2.435 3.447 1.00 . A A . 54 LYS CG 1 1 6 6903 1 1 54 LYS H H -9.838 -1.924 0.983 1.00 . A A . 54 LYS H 1 1 6 6904 1 1 54 LYS HA H -11.596 -4.195 1.335 1.00 . A A . 54 LYS HA 1 1 6 6905 1 1 54 LYS HB2 H -12.148 -1.291 2.036 1.00 . A A . 54 LYS HB2 1 1 6 6906 1 1 54 LYS HB3 H -12.949 -2.735 2.649 1.00 . A A . 54 LYS HB3 1 1 6 6907 1 1 54 LYS HD2 H -12.517 -2.375 4.917 1.00 . A A . 54 LYS HD2 1 1 6 6908 1 1 54 LYS HD3 H -10.869 -2.204 5.548 1.00 . A A . 54 LYS HD3 1 1 6 6909 1 1 54 LYS HE2 H -10.760 0.052 5.229 1.00 . A A . 54 LYS HE2 1 1 6 6910 1 1 54 LYS HE3 H -11.793 0.044 3.785 1.00 . A A . 54 LYS HE3 1 1 6 6911 1 1 54 LYS HG2 H -10.720 -3.488 3.589 1.00 . A A . 54 LYS HG2 1 1 6 6912 1 1 54 LYS HG3 H -10.067 -1.895 3.183 1.00 . A A . 54 LYS HG3 1 1 6 6913 1 1 54 LYS HZ1 H -12.803 1.128 5.628 1.00 . A A . 54 LYS HZ1 1 1 6 6914 1 1 54 LYS HZ2 H -13.683 -0.197 5.207 1.00 . A A . 54 LYS HZ2 1 1 6 6915 1 1 54 LYS HZ3 H -12.729 -0.225 6.556 1.00 . A A . 54 LYS HZ3 1 1 6 6916 1 1 54 LYS N N -10.232 -2.784 0.622 1.00 . A A . 54 LYS N 1 1 6 6917 1 1 54 LYS NZ N -12.808 0.116 5.608 1.00 . A A . 54 LYS NZ 1 1 6 6918 1 1 54 LYS O O -13.477 -3.693 -0.263 1.00 . A A . 54 LYS O 1 1 6 6919 1 1 55 SER C C -13.268 -2.311 -2.895 1.00 . A A . 55 SER C 1 1 6 6920 1 1 55 SER CA C -13.387 -1.306 -1.751 1.00 . A A . 55 SER CA 1 1 6 6921 1 1 55 SER CB C -13.052 0.123 -2.205 1.00 . A A . 55 SER CB 1 1 6 6922 1 1 55 SER H H -11.671 -1.130 -0.497 1.00 . A A . 55 SER H 1 1 6 6923 1 1 55 SER HA H -14.409 -1.321 -1.369 1.00 . A A . 55 SER HA 1 1 6 6924 1 1 55 SER HB2 H -12.968 0.772 -1.334 1.00 . A A . 55 SER HB2 1 1 6 6925 1 1 55 SER HB3 H -12.106 0.133 -2.750 1.00 . A A . 55 SER HB3 1 1 6 6926 1 1 55 SER HG H -13.834 1.498 -3.357 1.00 . A A . 55 SER HG 1 1 6 6927 1 1 55 SER N N -12.482 -1.708 -0.683 1.00 . A A . 55 SER N 1 1 6 6928 1 1 55 SER O O -14.265 -2.802 -3.417 1.00 . A A . 55 SER O 1 1 6 6929 1 1 55 SER OG O -14.079 0.626 -3.038 1.00 . A A . 55 SER OG 1 1 6 6930 1 1 56 ASN C C -12.309 -5.019 -3.828 1.00 . A A . 56 ASN C 1 1 6 6931 1 1 56 ASN CA C -11.743 -3.661 -4.256 1.00 . A A . 56 ASN CA 1 1 6 6932 1 1 56 ASN CB C -10.238 -3.740 -4.529 1.00 . A A . 56 ASN CB 1 1 6 6933 1 1 56 ASN CG C -9.737 -2.500 -5.264 1.00 . A A . 56 ASN CG 1 1 6 6934 1 1 56 ASN H H -11.257 -2.184 -2.768 1.00 . A A . 56 ASN H 1 1 6 6935 1 1 56 ASN HA H -12.240 -3.377 -5.186 1.00 . A A . 56 ASN HA 1 1 6 6936 1 1 56 ASN HB2 H -9.691 -3.891 -3.601 1.00 . A A . 56 ASN HB2 1 1 6 6937 1 1 56 ASN HB3 H -10.054 -4.602 -5.172 1.00 . A A . 56 ASN HB3 1 1 6 6938 1 1 56 ASN HD21 H -9.425 -1.408 -3.540 1.00 . A A . 56 ASN HD21 1 1 6 6939 1 1 56 ASN HD22 H -9.041 -0.630 -5.061 1.00 . A A . 56 ASN HD22 1 1 6 6940 1 1 56 ASN N N -12.023 -2.642 -3.249 1.00 . A A . 56 ASN N 1 1 6 6941 1 1 56 ASN ND2 N -9.349 -1.442 -4.552 1.00 . A A . 56 ASN ND2 1 1 6 6942 1 1 56 ASN O O -12.865 -5.738 -4.651 1.00 . A A . 56 ASN O 1 1 6 6943 1 1 56 ASN OD1 O -9.708 -2.481 -6.488 1.00 . A A . 56 ASN OD1 1 1 6 6944 1 1 57 ASN C C -12.136 -7.816 -2.321 1.00 . A A . 57 ASN C 1 1 6 6945 1 1 57 ASN CA C -12.776 -6.500 -1.876 1.00 . A A . 57 ASN CA 1 1 6 6946 1 1 57 ASN CB C -14.305 -6.518 -2.036 1.00 . A A . 57 ASN CB 1 1 6 6947 1 1 57 ASN CG C -14.925 -7.592 -1.148 1.00 . A A . 57 ASN CG 1 1 6 6948 1 1 57 ASN H H -11.630 -4.729 -1.951 1.00 . A A . 57 ASN H 1 1 6 6949 1 1 57 ASN HA H -12.566 -6.371 -0.813 1.00 . A A . 57 ASN HA 1 1 6 6950 1 1 57 ASN HB2 H -14.717 -5.549 -1.753 1.00 . A A . 57 ASN HB2 1 1 6 6951 1 1 57 ASN HB3 H -14.583 -6.719 -3.071 1.00 . A A . 57 ASN HB3 1 1 6 6952 1 1 57 ASN HD21 H -14.422 -6.573 0.540 1.00 . A A . 57 ASN HD21 1 1 6 6953 1 1 57 ASN HD22 H -15.237 -8.116 0.772 1.00 . A A . 57 ASN HD22 1 1 6 6954 1 1 57 ASN N N -12.173 -5.349 -2.539 1.00 . A A . 57 ASN N 1 1 6 6955 1 1 57 ASN ND2 N -14.840 -7.413 0.168 1.00 . A A . 57 ASN ND2 1 1 6 6956 1 1 57 ASN O O -12.634 -8.483 -3.223 1.00 . A A . 57 ASN O 1 1 6 6957 1 1 57 ASN OD1 O -15.478 -8.577 -1.624 1.00 . A A . 57 ASN OD1 1 1 6 6958 1 1 58 GLY C C -9.883 -10.154 -0.683 1.00 . A A . 58 GLY C 1 1 6 6959 1 1 58 GLY CA C -10.313 -9.430 -1.961 1.00 . A A . 58 GLY CA 1 1 6 6960 1 1 58 GLY H H -10.686 -7.605 -0.926 1.00 . A A . 58 GLY H 1 1 6 6961 1 1 58 GLY HA2 H -10.946 -10.118 -2.521 1.00 . A A . 58 GLY HA2 1 1 6 6962 1 1 58 GLY HA3 H -9.446 -9.202 -2.579 1.00 . A A . 58 GLY HA3 1 1 6 6963 1 1 58 GLY N N -11.033 -8.195 -1.666 1.00 . A A . 58 GLY N 1 1 6 6964 1 1 58 GLY O O -10.561 -11.086 -0.252 1.00 . A A . 58 GLY O 1 1 6 6965 1 1 59 PRO C C -9.045 -10.346 2.298 1.00 . A A . 59 PRO C 1 1 6 6966 1 1 59 PRO CA C -8.182 -10.494 1.050 1.00 . A A . 59 PRO CA 1 1 6 6967 1 1 59 PRO CB C -6.767 -9.937 1.235 1.00 . A A . 59 PRO CB 1 1 6 6968 1 1 59 PRO CD C -7.873 -8.681 -0.477 1.00 . A A . 59 PRO CD 1 1 6 6969 1 1 59 PRO CG C -6.885 -8.517 0.680 1.00 . A A . 59 PRO CG 1 1 6 6970 1 1 59 PRO HA H -8.153 -11.561 0.818 1.00 . A A . 59 PRO HA 1 1 6 6971 1 1 59 PRO HB2 H -6.432 -9.958 2.272 1.00 . A A . 59 PRO HB2 1 1 6 6972 1 1 59 PRO HB3 H -6.081 -10.508 0.608 1.00 . A A . 59 PRO HB3 1 1 6 6973 1 1 59 PRO HD2 H -8.421 -7.753 -0.643 1.00 . A A . 59 PRO HD2 1 1 6 6974 1 1 59 PRO HD3 H -7.331 -8.964 -1.381 1.00 . A A . 59 PRO HD3 1 1 6 6975 1 1 59 PRO HG2 H -7.323 -7.868 1.441 1.00 . A A . 59 PRO HG2 1 1 6 6976 1 1 59 PRO HG3 H -5.925 -8.119 0.349 1.00 . A A . 59 PRO HG3 1 1 6 6977 1 1 59 PRO N N -8.743 -9.774 -0.081 1.00 . A A . 59 PRO N 1 1 6 6978 1 1 59 PRO O O -9.853 -9.426 2.408 1.00 . A A . 59 PRO O 1 1 6 6979 1 1 60 THR C C -9.555 -11.747 5.556 1.00 . A A . 60 THR C 1 1 6 6980 1 1 60 THR CA C -9.985 -11.728 4.085 1.00 . A A . 60 THR CA 1 1 6 6981 1 1 60 THR CB C -10.536 -13.067 3.551 1.00 . A A . 60 THR CB 1 1 6 6982 1 1 60 THR CG2 C -10.062 -14.319 4.295 1.00 . A A . 60 THR CG2 1 1 6 6983 1 1 60 THR H H -8.155 -11.982 3.049 1.00 . A A . 60 THR H 1 1 6 6984 1 1 60 THR HA H -10.789 -10.992 4.021 1.00 . A A . 60 THR HA 1 1 6 6985 1 1 60 THR HB H -10.231 -13.185 2.508 1.00 . A A . 60 THR HB 1 1 6 6986 1 1 60 THR HG1 H -12.177 -12.376 2.838 1.00 . A A . 60 THR HG1 1 1 6 6987 1 1 60 THR HG21 H -8.975 -14.387 4.250 1.00 . A A . 60 THR HG21 1 1 6 6988 1 1 60 THR HG22 H -10.394 -14.299 5.333 1.00 . A A . 60 THR HG22 1 1 6 6989 1 1 60 THR HG23 H -10.485 -15.198 3.811 1.00 . A A . 60 THR HG23 1 1 6 6990 1 1 60 THR N N -8.900 -11.318 3.204 1.00 . A A . 60 THR N 1 1 6 6991 1 1 60 THR O O -10.326 -11.362 6.431 1.00 . A A . 60 THR O 1 1 6 6992 1 1 60 THR OG1 O -11.939 -13.022 3.511 1.00 . A A . 60 THR OG1 1 1 6 6993 1 1 61 LYS C C -6.289 -11.469 6.905 1.00 . A A . 61 LYS C 1 1 6 6994 1 1 61 LYS CA C -7.693 -12.015 7.138 1.00 . A A . 61 LYS CA 1 1 6 6995 1 1 61 LYS CB C -7.787 -13.312 7.970 1.00 . A A . 61 LYS CB 1 1 6 6996 1 1 61 LYS CD C -7.772 -15.843 8.039 1.00 . A A . 61 LYS CD 1 1 6 6997 1 1 61 LYS CE C -7.180 -17.110 7.401 1.00 . A A . 61 LYS CE 1 1 6 6998 1 1 61 LYS CG C -7.222 -14.595 7.334 1.00 . A A . 61 LYS CG 1 1 6 6999 1 1 61 LYS H H -7.714 -12.418 5.057 1.00 . A A . 61 LYS H 1 1 6 7000 1 1 61 LYS HA H -8.220 -11.244 7.704 1.00 . A A . 61 LYS HA 1 1 6 7001 1 1 61 LYS HB2 H -7.293 -13.149 8.930 1.00 . A A . 61 LYS HB2 1 1 6 7002 1 1 61 LYS HB3 H -8.848 -13.473 8.169 1.00 . A A . 61 LYS HB3 1 1 6 7003 1 1 61 LYS HD2 H -7.506 -15.791 9.098 1.00 . A A . 61 LYS HD2 1 1 6 7004 1 1 61 LYS HD3 H -8.860 -15.848 7.946 1.00 . A A . 61 LYS HD3 1 1 6 7005 1 1 61 LYS HE2 H -7.431 -17.129 6.338 1.00 . A A . 61 LYS HE2 1 1 6 7006 1 1 61 LYS HE3 H -6.092 -17.088 7.496 1.00 . A A . 61 LYS HE3 1 1 6 7007 1 1 61 LYS HG2 H -7.495 -14.640 6.279 1.00 . A A . 61 LYS HG2 1 1 6 7008 1 1 61 LYS HG3 H -6.137 -14.610 7.441 1.00 . A A . 61 LYS HG3 1 1 6 7009 1 1 61 LYS HZ1 H -7.445 -18.369 9.012 1.00 . A A . 61 LYS HZ1 1 1 6 7010 1 1 61 LYS HZ2 H -8.693 -18.402 7.936 1.00 . A A . 61 LYS HZ2 1 1 6 7011 1 1 61 LYS HZ3 H -7.278 -19.153 7.579 1.00 . A A . 61 LYS HZ3 1 1 6 7012 1 1 61 LYS N N -8.315 -12.169 5.829 1.00 . A A . 61 LYS N 1 1 6 7013 1 1 61 LYS NZ N -7.688 -18.347 8.030 1.00 . A A . 61 LYS NZ 1 1 6 7014 1 1 61 LYS O O -6.058 -10.276 7.074 1.00 . A A . 61 LYS O 1 1 6 7015 1 1 62 CYS C C -4.203 -12.499 4.367 1.00 . A A . 62 CYS C 1 1 6 7016 1 1 62 CYS CA C -4.132 -11.969 5.799 1.00 . A A . 62 CYS CA 1 1 6 7017 1 1 62 CYS CB C -2.961 -12.547 6.576 1.00 . A A . 62 CYS CB 1 1 6 7018 1 1 62 CYS H H -5.731 -13.236 6.147 1.00 . A A . 62 CYS H 1 1 6 7019 1 1 62 CYS HA H -4.050 -10.891 5.730 1.00 . A A . 62 CYS HA 1 1 6 7020 1 1 62 CYS HB2 H -2.851 -13.601 6.316 1.00 . A A . 62 CYS HB2 1 1 6 7021 1 1 62 CYS HB3 H -2.045 -12.025 6.300 1.00 . A A . 62 CYS HB3 1 1 6 7022 1 1 62 CYS N N -5.397 -12.328 6.410 1.00 . A A . 62 CYS N 1 1 6 7023 1 1 62 CYS O O -5.298 -12.800 3.886 1.00 . A A . 62 CYS O 1 1 6 7024 1 1 62 CYS SG S -3.149 -12.484 8.386 1.00 . A A . 62 CYS SG 1 1 6 7025 1 1 63 GLY C C -3.417 -12.208 1.329 1.00 . A A . 63 GLY C 1 1 6 7026 1 1 63 GLY CA C -2.987 -13.232 2.372 1.00 . A A . 63 GLY CA 1 1 6 7027 1 1 63 GLY H H -2.193 -12.379 4.158 1.00 . A A . 63 GLY H 1 1 6 7028 1 1 63 GLY HA2 H -1.959 -13.533 2.167 1.00 . A A . 63 GLY HA2 1 1 6 7029 1 1 63 GLY HA3 H -3.625 -14.114 2.311 1.00 . A A . 63 GLY HA3 1 1 6 7030 1 1 63 GLY N N -3.054 -12.646 3.703 1.00 . A A . 63 GLY N 1 1 6 7031 1 1 63 GLY O O -4.288 -12.467 0.505 1.00 . A A . 63 GLY O 1 1 6 7032 1 1 64 GLY C C -1.614 -9.351 0.076 1.00 . A A . 64 GLY C 1 1 6 7033 1 1 64 GLY CA C -2.970 -9.941 0.452 1.00 . A A . 64 GLY CA 1 1 6 7034 1 1 64 GLY H H -2.080 -10.937 2.104 1.00 . A A . 64 GLY H 1 1 6 7035 1 1 64 GLY HA2 H -3.481 -10.273 -0.453 1.00 . A A . 64 GLY HA2 1 1 6 7036 1 1 64 GLY HA3 H -3.570 -9.167 0.933 1.00 . A A . 64 GLY HA3 1 1 6 7037 1 1 64 GLY N N -2.785 -11.034 1.393 1.00 . A A . 64 GLY N 1 1 6 7038 1 1 64 GLY O O -1.289 -9.216 -1.098 1.00 . A A . 64 GLY O 1 1 6 7039 1 1 65 CYS C C 1.602 -8.865 1.400 1.00 . A A . 65 CYS C 1 1 6 7040 1 1 65 CYS CA C 0.334 -8.124 0.956 1.00 . A A . 65 CYS CA 1 1 6 7041 1 1 65 CYS CB C 0.081 -6.868 1.755 1.00 . A A . 65 CYS CB 1 1 6 7042 1 1 65 CYS H H -1.219 -9.063 2.024 1.00 . A A . 65 CYS H 1 1 6 7043 1 1 65 CYS HA H 0.468 -7.837 -0.087 1.00 . A A . 65 CYS HA 1 1 6 7044 1 1 65 CYS HB2 H 0.192 -7.127 2.806 1.00 . A A . 65 CYS HB2 1 1 6 7045 1 1 65 CYS HB3 H 0.814 -6.100 1.506 1.00 . A A . 65 CYS HB3 1 1 6 7046 1 1 65 CYS N N -0.837 -8.982 1.097 1.00 . A A . 65 CYS N 1 1 6 7047 1 1 65 CYS O O 2.635 -8.796 0.741 1.00 . A A . 65 CYS O 1 1 6 7048 1 1 65 CYS SG S -1.617 -6.254 1.424 1.00 . A A . 65 CYS SG 1 1 6 7049 1 1 66 HIS C C 2.757 -11.690 2.207 1.00 . A A . 66 HIS C 1 1 6 7050 1 1 66 HIS CA C 2.636 -10.398 3.011 1.00 . A A . 66 HIS CA 1 1 6 7051 1 1 66 HIS CB C 2.428 -10.738 4.490 1.00 . A A . 66 HIS CB 1 1 6 7052 1 1 66 HIS CD2 C 1.365 -9.047 6.085 1.00 . A A . 66 HIS CD2 1 1 6 7053 1 1 66 HIS CE1 C 3.023 -7.647 6.316 1.00 . A A . 66 HIS CE1 1 1 6 7054 1 1 66 HIS CG C 2.421 -9.525 5.369 1.00 . A A . 66 HIS CG 1 1 6 7055 1 1 66 HIS H H 0.668 -9.596 3.040 1.00 . A A . 66 HIS H 1 1 6 7056 1 1 66 HIS HA H 3.564 -9.831 2.920 1.00 . A A . 66 HIS HA 1 1 6 7057 1 1 66 HIS HB2 H 1.501 -11.299 4.608 1.00 . A A . 66 HIS HB2 1 1 6 7058 1 1 66 HIS HB3 H 3.239 -11.395 4.808 1.00 . A A . 66 HIS HB3 1 1 6 7059 1 1 66 HIS HD1 H 4.343 -8.666 5.048 1.00 . A A . 66 HIS HD1 1 1 6 7060 1 1 66 HIS HD2 H 0.384 -9.466 6.168 1.00 . A A . 66 HIS HD2 1 1 6 7061 1 1 66 HIS HE1 H 3.611 -6.794 6.608 1.00 . A A . 66 HIS HE1 1 1 6 7062 1 1 66 HIS N N 1.528 -9.591 2.520 1.00 . A A . 66 HIS N 1 1 6 7063 1 1 66 HIS ND1 N 3.453 -8.636 5.513 1.00 . A A . 66 HIS ND1 1 1 6 7064 1 1 66 HIS NE2 N 1.748 -7.850 6.679 1.00 . A A . 66 HIS NE2 1 1 6 7065 1 1 66 HIS O O 1.935 -12.591 2.372 1.00 . A A . 66 HIS O 1 1 6 7066 1 1 67 ILE C C 4.760 -14.029 1.635 1.00 . A A . 67 ILE C 1 1 6 7067 1 1 67 ILE CA C 4.113 -13.029 0.670 1.00 . A A . 67 ILE CA 1 1 6 7068 1 1 67 ILE CB C 5.008 -12.698 -0.543 1.00 . A A . 67 ILE CB 1 1 6 7069 1 1 67 ILE CD1 C 3.016 -11.807 -1.930 1.00 . A A . 67 ILE CD1 1 1 6 7070 1 1 67 ILE CG1 C 4.437 -11.557 -1.409 1.00 . A A . 67 ILE CG1 1 1 6 7071 1 1 67 ILE CG2 C 5.248 -13.946 -1.410 1.00 . A A . 67 ILE CG2 1 1 6 7072 1 1 67 ILE H H 4.434 -11.024 1.286 1.00 . A A . 67 ILE H 1 1 6 7073 1 1 67 ILE HA H 3.191 -13.476 0.298 1.00 . A A . 67 ILE HA 1 1 6 7074 1 1 67 ILE HB H 5.978 -12.352 -0.173 1.00 . A A . 67 ILE HB 1 1 6 7075 1 1 67 ILE HD11 H 2.723 -10.971 -2.567 1.00 . A A . 67 ILE HD11 1 1 6 7076 1 1 67 ILE HD12 H 2.975 -12.722 -2.519 1.00 . A A . 67 ILE HD12 1 1 6 7077 1 1 67 ILE HD13 H 2.309 -11.871 -1.104 1.00 . A A . 67 ILE HD13 1 1 6 7078 1 1 67 ILE HG12 H 4.430 -10.628 -0.839 1.00 . A A . 67 ILE HG12 1 1 6 7079 1 1 67 ILE HG13 H 5.095 -11.408 -2.265 1.00 . A A . 67 ILE HG13 1 1 6 7080 1 1 67 ILE HG21 H 4.302 -14.396 -1.707 1.00 . A A . 67 ILE HG21 1 1 6 7081 1 1 67 ILE HG22 H 5.809 -13.673 -2.304 1.00 . A A . 67 ILE HG22 1 1 6 7082 1 1 67 ILE HG23 H 5.828 -14.690 -0.866 1.00 . A A . 67 ILE HG23 1 1 6 7083 1 1 67 ILE N N 3.805 -11.807 1.394 1.00 . A A . 67 ILE N 1 1 6 7084 1 1 67 ILE O O 5.972 -14.237 1.600 1.00 . A A . 67 ILE O 1 1 6 7085 1 1 68 LYS C C 3.210 -16.598 3.723 1.00 . A A . 68 LYS C 1 1 6 7086 1 1 68 LYS CA C 4.416 -15.752 3.339 1.00 . A A . 68 LYS CA 1 1 6 7087 1 1 68 LYS CB C 5.167 -15.215 4.569 1.00 . A A . 68 LYS CB 1 1 6 7088 1 1 68 LYS CD C 5.216 -17.083 6.346 1.00 . A A . 68 LYS CD 1 1 6 7089 1 1 68 LYS CE C 5.547 -18.585 6.293 1.00 . A A . 68 LYS CE 1 1 6 7090 1 1 68 LYS CG C 5.998 -16.293 5.281 1.00 . A A . 68 LYS CG 1 1 6 7091 1 1 68 LYS H H 2.972 -14.426 2.560 1.00 . A A . 68 LYS H 1 1 6 7092 1 1 68 LYS HA H 5.090 -16.371 2.745 1.00 . A A . 68 LYS HA 1 1 6 7093 1 1 68 LYS HB2 H 5.871 -14.462 4.215 1.00 . A A . 68 LYS HB2 1 1 6 7094 1 1 68 LYS HB3 H 4.475 -14.734 5.263 1.00 . A A . 68 LYS HB3 1 1 6 7095 1 1 68 LYS HD2 H 5.502 -16.692 7.324 1.00 . A A . 68 LYS HD2 1 1 6 7096 1 1 68 LYS HD3 H 4.141 -16.929 6.236 1.00 . A A . 68 LYS HD3 1 1 6 7097 1 1 68 LYS HE2 H 6.612 -18.715 6.090 1.00 . A A . 68 LYS HE2 1 1 6 7098 1 1 68 LYS HE3 H 5.329 -19.038 7.261 1.00 . A A . 68 LYS HE3 1 1 6 7099 1 1 68 LYS HG2 H 6.433 -16.948 4.526 1.00 . A A . 68 LYS HG2 1 1 6 7100 1 1 68 LYS HG3 H 6.824 -15.784 5.785 1.00 . A A . 68 LYS HG3 1 1 6 7101 1 1 68 LYS HZ1 H 3.789 -19.387 5.573 1.00 . A A . 68 LYS HZ1 1 1 6 7102 1 1 68 LYS HZ2 H 4.629 -18.694 4.435 1.00 . A A . 68 LYS HZ2 1 1 6 7103 1 1 68 LYS HZ3 H 5.127 -20.175 5.006 1.00 . A A . 68 LYS HZ3 1 1 6 7104 1 1 68 LYS N N 3.962 -14.653 2.505 1.00 . A A . 68 LYS N 1 1 6 7105 1 1 68 LYS NZ N 4.744 -19.279 5.266 1.00 . A A . 68 LYS NZ 1 1 6 7106 1 1 68 LYS O O 2.161 -15.992 4.023 1.00 . A A . 68 LYS O 1 1 6 7107 1 1 68 LYS OXT O 3.374 -17.839 3.741 1.00 . A A . 68 LYS OXT 1 1 6 7108 2 2 1 HEC C1A C 7.715 8.042 -3.556 1.00 . B A . 69 HEC C1A 1 1 6 7109 2 2 1 HEC C1B C 5.076 9.356 -6.568 1.00 . B A . 69 HEC C1B 1 1 6 7110 2 2 1 HEC C1C C 2.272 6.361 -5.319 1.00 . B A . 69 HEC C1C 1 1 6 7111 2 2 1 HEC C1D C 4.634 5.669 -1.833 1.00 . B A . 69 HEC C1D 1 1 6 7112 2 2 1 HEC C2A C 8.836 8.852 -3.969 1.00 . B A . 69 HEC C2A 1 1 6 7113 2 2 1 HEC C2B C 4.378 9.772 -7.758 1.00 . B A . 69 HEC C2B 1 1 6 7114 2 2 1 HEC C2C C 1.153 5.535 -4.937 1.00 . B A . 69 HEC C2C 1 1 6 7115 2 2 1 HEC C2D C 5.432 5.216 -0.710 1.00 . B A . 69 HEC C2D 1 1 6 7116 2 2 1 HEC C3A C 8.342 9.775 -4.856 1.00 . B A . 69 HEC C3A 1 1 6 7117 2 2 1 HEC C3B C 3.239 9.009 -7.842 1.00 . B A . 69 HEC C3B 1 1 6 7118 2 2 1 HEC C3C C 1.392 5.074 -3.658 1.00 . B A . 69 HEC C3C 1 1 6 7119 2 2 1 HEC C3D C 6.712 5.686 -0.907 1.00 . B A . 69 HEC C3D 1 1 6 7120 2 2 1 HEC C4A C 6.989 9.372 -5.153 1.00 . B A . 69 HEC C4A 1 1 6 7121 2 2 1 HEC C4B C 3.299 8.030 -6.769 1.00 . B A . 69 HEC C4B 1 1 6 7122 2 2 1 HEC C4C C 2.703 5.567 -3.277 1.00 . B A . 69 HEC C4C 1 1 6 7123 2 2 1 HEC C4D C 6.676 6.485 -2.098 1.00 . B A . 69 HEC C4D 1 1 6 7124 2 2 1 HEC CAA C 10.294 8.541 -3.717 1.00 . B A . 69 HEC CAA 1 1 6 7125 2 2 1 HEC CAB C 2.005 9.399 -8.626 1.00 . B A . 69 HEC CAB 1 1 6 7126 2 2 1 HEC CAC C 0.416 4.320 -2.762 1.00 . B A . 69 HEC CAC 1 1 6 7127 2 2 1 HEC CAD C 7.981 5.284 -0.178 1.00 . B A . 69 HEC CAD 1 1 6 7128 2 2 1 HEC CBA C 10.731 7.321 -4.541 1.00 . B A . 69 HEC CBA 1 1 6 7129 2 2 1 HEC CBB C 2.227 9.766 -10.102 1.00 . B A . 69 HEC CBB 1 1 6 7130 2 2 1 HEC CBC C 0.124 2.882 -3.199 1.00 . B A . 69 HEC CBC 1 1 6 7131 2 2 1 HEC CBD C 8.750 6.365 0.589 1.00 . B A . 69 HEC CBD 1 1 6 7132 2 2 1 HEC CGA C 12.243 7.087 -4.575 1.00 . B A . 69 HEC CGA 1 1 6 7133 2 2 1 HEC CGD C 10.014 5.861 1.288 1.00 . B A . 69 HEC CGD 1 1 6 7134 2 2 1 HEC CHA C 7.785 7.110 -2.569 1.00 . B A . 69 HEC CHA 1 1 6 7135 2 2 1 HEC CHB C 6.254 9.925 -6.154 1.00 . B A . 69 HEC CHB 1 1 6 7136 2 2 1 HEC CHC C 2.303 7.103 -6.490 1.00 . B A . 69 HEC CHC 1 1 6 7137 2 2 1 HEC CHD C 3.335 5.257 -2.076 1.00 . B A . 69 HEC CHD 1 1 6 7138 2 2 1 HEC CMA C 9.115 10.894 -5.516 1.00 . B A . 69 HEC CMA 1 1 6 7139 2 2 1 HEC CMB C 4.812 10.831 -8.752 1.00 . B A . 69 HEC CMB 1 1 6 7140 2 2 1 HEC CMC C -0.098 5.356 -5.766 1.00 . B A . 69 HEC CMC 1 1 6 7141 2 2 1 HEC CMD C 4.999 4.240 0.356 1.00 . B A . 69 HEC CMD 1 1 6 7142 2 2 1 HEC FE FE 4.881 7.373 -4.348 1.00 . B A . 69 HEC FE 1 1 6 7143 2 2 1 HEC HAA1 H 10.919 9.383 -4.012 1.00 . B A . 69 HEC HAA1 1 1 6 7144 2 2 1 HEC HAA2 H 10.480 8.347 -2.661 1.00 . B A . 69 HEC HAA2 1 1 6 7145 2 2 1 HEC HAB H 1.310 8.566 -8.632 1.00 . B A . 69 HEC HAB 1 1 6 7146 2 2 1 HEC HAC H 0.806 4.266 -1.751 1.00 . B A . 69 HEC HAC 1 1 6 7147 2 2 1 HEC HAD1 H 7.760 4.509 0.526 1.00 . B A . 69 HEC HAD1 1 1 6 7148 2 2 1 HEC HAD2 H 8.667 4.869 -0.910 1.00 . B A . 69 HEC HAD2 1 1 6 7149 2 2 1 HEC HBA1 H 10.243 6.430 -4.142 1.00 . B A . 69 HEC HBA1 1 1 6 7150 2 2 1 HEC HBA2 H 10.392 7.460 -5.569 1.00 . B A . 69 HEC HBA2 1 1 6 7151 2 2 1 HEC HBB1 H 1.281 9.733 -10.638 1.00 . B A . 69 HEC HBB1 1 1 6 7152 2 2 1 HEC HBB2 H 2.620 10.775 -10.207 1.00 . B A . 69 HEC HBB2 1 1 6 7153 2 2 1 HEC HBB3 H 2.905 9.051 -10.569 1.00 . B A . 69 HEC HBB3 1 1 6 7154 2 2 1 HEC HBC1 H 1.053 2.331 -3.342 1.00 . B A . 69 HEC HBC1 1 1 6 7155 2 2 1 HEC HBC2 H -0.472 2.380 -2.436 1.00 . B A . 69 HEC HBC2 1 1 6 7156 2 2 1 HEC HBC3 H -0.442 2.875 -4.126 1.00 . B A . 69 HEC HBC3 1 1 6 7157 2 2 1 HEC HBD1 H 9.044 7.173 -0.070 1.00 . B A . 69 HEC HBD1 1 1 6 7158 2 2 1 HEC HBD2 H 8.103 6.763 1.353 1.00 . B A . 69 HEC HBD2 1 1 6 7159 2 2 1 HEC HHA H 8.709 6.932 -2.057 1.00 . B A . 69 HEC HHA 1 1 6 7160 2 2 1 HEC HHB H 6.670 10.755 -6.685 1.00 . B A . 69 HEC HHB 1 1 6 7161 2 2 1 HEC HHC H 1.467 7.021 -7.154 1.00 . B A . 69 HEC HHC 1 1 6 7162 2 2 1 HEC HHD H 2.838 4.610 -1.362 1.00 . B A . 69 HEC HHD 1 1 6 7163 2 2 1 HEC HMA1 H 9.961 11.188 -4.898 1.00 . B A . 69 HEC HMA1 1 1 6 7164 2 2 1 HEC HMA2 H 9.478 10.557 -6.486 1.00 . B A . 69 HEC HMA2 1 1 6 7165 2 2 1 HEC HMA3 H 8.474 11.766 -5.643 1.00 . B A . 69 HEC HMA3 1 1 6 7166 2 2 1 HEC HMB1 H 4.860 10.385 -9.743 1.00 . B A . 69 HEC HMB1 1 1 6 7167 2 2 1 HEC HMB2 H 4.084 11.641 -8.744 1.00 . B A . 69 HEC HMB2 1 1 6 7168 2 2 1 HEC HMB3 H 5.790 11.246 -8.534 1.00 . B A . 69 HEC HMB3 1 1 6 7169 2 2 1 HEC HMC1 H -0.851 4.760 -5.259 1.00 . B A . 69 HEC HMC1 1 1 6 7170 2 2 1 HEC HMC2 H -0.518 6.337 -5.977 1.00 . B A . 69 HEC HMC2 1 1 6 7171 2 2 1 HEC HMC3 H 0.168 4.867 -6.699 1.00 . B A . 69 HEC HMC3 1 1 6 7172 2 2 1 HEC HMD1 H 5.587 4.365 1.263 1.00 . B A . 69 HEC HMD1 1 1 6 7173 2 2 1 HEC HMD2 H 3.945 4.374 0.601 1.00 . B A . 69 HEC HMD2 1 1 6 7174 2 2 1 HEC HMD3 H 5.163 3.248 -0.050 1.00 . B A . 69 HEC HMD3 1 1 6 7175 2 2 1 HEC NA N 6.644 8.366 -4.321 1.00 . B A . 69 HEC NA 1 1 6 7176 2 2 1 HEC NB N 4.409 8.297 -6.027 1.00 . B A . 69 HEC NB 1 1 6 7177 2 2 1 HEC NC N 3.175 6.345 -4.309 1.00 . B A . 69 HEC NC 1 1 6 7178 2 2 1 HEC ND N 5.423 6.473 -2.603 1.00 . B A . 69 HEC ND 1 1 6 7179 2 2 1 HEC O1A O 12.983 7.923 -4.013 1.00 . B A . 69 HEC O1A 1 1 6 7180 2 2 1 HEC O1D O 10.367 6.475 2.325 1.00 . B A . 69 HEC O1D 1 1 6 7181 2 2 1 HEC O2A O 12.627 6.062 -5.189 1.00 . B A . 69 HEC O2A 1 1 6 7182 2 2 1 HEC O2D O 10.607 4.889 0.781 1.00 . B A . 69 HEC O2D 1 1 6 7183 3 2 1 HEC C1A C -2.158 -4.534 -4.687 1.00 . C A . 70 HEC C1A 1 1 6 7184 3 2 1 HEC C1B C -0.462 -2.376 -1.418 1.00 . C A . 70 HEC C1B 1 1 6 7185 3 2 1 HEC C1C C -3.260 0.814 -2.092 1.00 . C A . 70 HEC C1C 1 1 6 7186 3 2 1 HEC C1D C -4.916 -1.323 -5.376 1.00 . C A . 70 HEC C1D 1 1 6 7187 3 2 1 HEC C2A C -1.291 -5.688 -4.593 1.00 . C A . 70 HEC C2A 1 1 6 7188 3 2 1 HEC C2B C 0.109 -1.820 -0.218 1.00 . C A . 70 HEC C2B 1 1 6 7189 3 2 1 HEC C2C C -4.102 1.983 -2.209 1.00 . C A . 70 HEC C2C 1 1 6 7190 3 2 1 HEC C2D C -5.583 -1.916 -6.511 1.00 . C A . 70 HEC C2D 1 1 6 7191 3 2 1 HEC C3A C -0.441 -5.475 -3.534 1.00 . C A . 70 HEC C3A 1 1 6 7192 3 2 1 HEC C3B C -0.535 -0.629 0.027 1.00 . C A . 70 HEC C3B 1 1 6 7193 3 2 1 HEC C3C C -4.975 1.757 -3.249 1.00 . C A . 70 HEC C3C 1 1 6 7194 3 2 1 HEC C3D C -5.013 -3.151 -6.709 1.00 . C A . 70 HEC C3D 1 1 6 7195 3 2 1 HEC C4A C -0.737 -4.168 -3.002 1.00 . C A . 70 HEC C4A 1 1 6 7196 3 2 1 HEC C4B C -1.488 -0.437 -1.043 1.00 . C A . 70 HEC C4B 1 1 6 7197 3 2 1 HEC C4C C -4.605 0.473 -3.811 1.00 . C A . 70 HEC C4C 1 1 6 7198 3 2 1 HEC C4D C -3.963 -3.298 -5.723 1.00 . C A . 70 HEC C4D 1 1 6 7199 3 2 1 HEC CAA C -1.326 -6.919 -5.472 1.00 . C A . 70 HEC CAA 1 1 6 7200 3 2 1 HEC CAB C -0.355 0.273 1.235 1.00 . C A . 70 HEC CAB 1 1 6 7201 3 2 1 HEC CAC C -6.249 2.550 -3.559 1.00 . C A . 70 HEC CAC 1 1 6 7202 3 2 1 HEC CAD C -5.467 -4.205 -7.703 1.00 . C A . 70 HEC CAD 1 1 6 7203 3 2 1 HEC CBA C -2.359 -7.953 -5.012 1.00 . C A . 70 HEC CBA 1 1 6 7204 3 2 1 HEC CBB C 1.001 0.972 1.252 1.00 . C A . 70 HEC CBB 1 1 6 7205 3 2 1 HEC CBC C -6.080 3.848 -4.339 1.00 . C A . 70 HEC CBC 1 1 6 7206 3 2 1 HEC CBD C -4.502 -4.465 -8.873 1.00 . C A . 70 HEC CBD 1 1 6 7207 3 2 1 HEC CGA C -2.304 -9.229 -5.860 1.00 . C A . 70 HEC CGA 1 1 6 7208 3 2 1 HEC CGD C -4.912 -3.763 -10.174 1.00 . C A . 70 HEC CGD 1 1 6 7209 3 2 1 HEC CHA C -3.160 -4.411 -5.626 1.00 . C A . 70 HEC CHA 1 1 6 7210 3 2 1 HEC CHB C -0.099 -3.612 -1.909 1.00 . C A . 70 HEC CHB 1 1 6 7211 3 2 1 HEC CHC C -2.306 0.669 -1.117 1.00 . C A . 70 HEC CHC 1 1 6 7212 3 2 1 HEC CHD C -5.256 -0.094 -4.869 1.00 . C A . 70 HEC CHD 1 1 6 7213 3 2 1 HEC CMA C 0.587 -6.448 -3.006 1.00 . C A . 70 HEC CMA 1 1 6 7214 3 2 1 HEC CMB C 1.107 -2.521 0.674 1.00 . C A . 70 HEC CMB 1 1 6 7215 3 2 1 HEC CMC C -4.038 3.206 -1.321 1.00 . C A . 70 HEC CMC 1 1 6 7216 3 2 1 HEC CMD C -6.661 -1.284 -7.367 1.00 . C A . 70 HEC CMD 1 1 6 7217 3 2 1 HEC FE FE -2.639 -1.853 -3.406 1.00 . C A . 70 HEC FE 1 1 6 7218 3 2 1 HEC HAA1 H -1.545 -6.639 -6.502 1.00 . C A . 70 HEC HAA1 1 1 6 7219 3 2 1 HEC HAA2 H -0.346 -7.396 -5.478 1.00 . C A . 70 HEC HAA2 1 1 6 7220 3 2 1 HEC HAB H -1.083 1.073 1.246 1.00 . C A . 70 HEC HAB 1 1 6 7221 3 2 1 HEC HAC H -6.929 1.958 -4.165 1.00 . C A . 70 HEC HAC 1 1 6 7222 3 2 1 HEC HAD1 H -5.592 -5.137 -7.153 1.00 . C A . 70 HEC HAD1 1 1 6 7223 3 2 1 HEC HAD2 H -6.440 -3.937 -8.114 1.00 . C A . 70 HEC HAD2 1 1 6 7224 3 2 1 HEC HBA1 H -2.164 -8.211 -3.970 1.00 . C A . 70 HEC HBA1 1 1 6 7225 3 2 1 HEC HBA2 H -3.354 -7.507 -5.073 1.00 . C A . 70 HEC HBA2 1 1 6 7226 3 2 1 HEC HBB1 H 1.756 0.330 1.698 1.00 . C A . 70 HEC HBB1 1 1 6 7227 3 2 1 HEC HBB2 H 1.307 1.232 0.237 1.00 . C A . 70 HEC HBB2 1 1 6 7228 3 2 1 HEC HBB3 H 0.913 1.892 1.823 1.00 . C A . 70 HEC HBB3 1 1 6 7229 3 2 1 HEC HBC1 H -5.183 4.366 -4.012 1.00 . C A . 70 HEC HBC1 1 1 6 7230 3 2 1 HEC HBC2 H -6.037 3.604 -5.400 1.00 . C A . 70 HEC HBC2 1 1 6 7231 3 2 1 HEC HBC3 H -6.946 4.491 -4.185 1.00 . C A . 70 HEC HBC3 1 1 6 7232 3 2 1 HEC HBD1 H -3.491 -4.159 -8.598 1.00 . C A . 70 HEC HBD1 1 1 6 7233 3 2 1 HEC HBD2 H -4.489 -5.540 -9.059 1.00 . C A . 70 HEC HBD2 1 1 6 7234 3 2 1 HEC HHA H -3.319 -5.218 -6.322 1.00 . C A . 70 HEC HHA 1 1 6 7235 3 2 1 HEC HHB H 0.668 -4.167 -1.387 1.00 . C A . 70 HEC HHB 1 1 6 7236 3 2 1 HEC HHC H -2.209 1.438 -0.371 1.00 . C A . 70 HEC HHC 1 1 6 7237 3 2 1 HEC HHD H -6.054 0.451 -5.321 1.00 . C A . 70 HEC HHD 1 1 6 7238 3 2 1 HEC HMA1 H 1.569 -6.198 -3.410 1.00 . C A . 70 HEC HMA1 1 1 6 7239 3 2 1 HEC HMA2 H 0.620 -6.403 -1.921 1.00 . C A . 70 HEC HMA2 1 1 6 7240 3 2 1 HEC HMA3 H 0.322 -7.467 -3.291 1.00 . C A . 70 HEC HMA3 1 1 6 7241 3 2 1 HEC HMB1 H 1.425 -1.864 1.476 1.00 . C A . 70 HEC HMB1 1 1 6 7242 3 2 1 HEC HMB2 H 0.633 -3.403 1.104 1.00 . C A . 70 HEC HMB2 1 1 6 7243 3 2 1 HEC HMB3 H 1.980 -2.821 0.098 1.00 . C A . 70 HEC HMB3 1 1 6 7244 3 2 1 HEC HMC1 H -4.592 4.033 -1.764 1.00 . C A . 70 HEC HMC1 1 1 6 7245 3 2 1 HEC HMC2 H -4.469 2.970 -0.348 1.00 . C A . 70 HEC HMC2 1 1 6 7246 3 2 1 HEC HMC3 H -3.004 3.521 -1.197 1.00 . C A . 70 HEC HMC3 1 1 6 7247 3 2 1 HEC HMD1 H -6.258 -1.128 -8.366 1.00 . C A . 70 HEC HMD1 1 1 6 7248 3 2 1 HEC HMD2 H -7.507 -1.961 -7.443 1.00 . C A . 70 HEC HMD2 1 1 6 7249 3 2 1 HEC HMD3 H -7.012 -0.324 -6.984 1.00 . C A . 70 HEC HMD3 1 1 6 7250 3 2 1 HEC NA N -1.778 -3.645 -3.715 1.00 . C A . 70 HEC NA 1 1 6 7251 3 2 1 HEC NB N -1.427 -1.524 -1.867 1.00 . C A . 70 HEC NB 1 1 6 7252 3 2 1 HEC NC N -3.580 -0.050 -3.085 1.00 . C A . 70 HEC NC 1 1 6 7253 3 2 1 HEC ND N -3.952 -2.180 -4.943 1.00 . C A . 70 HEC ND 1 1 6 7254 3 2 1 HEC O1A O -1.221 -9.856 -5.876 1.00 . C A . 70 HEC O1A 1 1 6 7255 3 2 1 HEC O1D O -5.295 -2.575 -10.123 1.00 . C A . 70 HEC O1D 1 1 6 7256 3 2 1 HEC O2A O -3.340 -9.551 -6.484 1.00 . C A . 70 HEC O2A 1 1 6 7257 3 2 1 HEC O2D O -4.810 -4.389 -11.256 1.00 . C A . 70 HEC O2D 1 1 6 7258 4 2 1 HEC C1A C 2.946 -5.926 9.482 1.00 . D A . 71 HEC C1A 1 1 6 7259 4 2 1 HEC C1B C -0.118 -8.939 9.631 1.00 . D A . 71 HEC C1B 1 1 6 7260 4 2 1 HEC C1C C -1.682 -7.547 5.917 1.00 . D A . 71 HEC C1C 1 1 6 7261 4 2 1 HEC C1D C 1.330 -4.524 5.774 1.00 . D A . 71 HEC C1D 1 1 6 7262 4 2 1 HEC C2A C 3.626 -6.363 10.689 1.00 . D A . 71 HEC C2A 1 1 6 7263 4 2 1 HEC C2B C -1.039 -10.034 9.811 1.00 . D A . 71 HEC C2B 1 1 6 7264 4 2 1 HEC C2C C -2.319 -7.202 4.668 1.00 . D A . 71 HEC C2C 1 1 6 7265 4 2 1 HEC C2D C 2.302 -3.489 5.533 1.00 . D A . 71 HEC C2D 1 1 6 7266 4 2 1 HEC C3A C 2.837 -7.332 11.258 1.00 . D A . 71 HEC C3A 1 1 6 7267 4 2 1 HEC C3B C -1.931 -9.995 8.766 1.00 . D A . 71 HEC C3B 1 1 6 7268 4 2 1 HEC C3C C -1.686 -6.079 4.186 1.00 . D A . 71 HEC C3C 1 1 6 7269 4 2 1 HEC C3D C 3.181 -3.504 6.591 1.00 . D A . 71 HEC C3D 1 1 6 7270 4 2 1 HEC C4A C 1.772 -7.620 10.332 1.00 . D A . 71 HEC C4A 1 1 6 7271 4 2 1 HEC C4B C -1.471 -8.949 7.874 1.00 . D A . 71 HEC C4B 1 1 6 7272 4 2 1 HEC C4C C -0.598 -5.796 5.102 1.00 . D A . 71 HEC C4C 1 1 6 7273 4 2 1 HEC C4D C 2.735 -4.545 7.497 1.00 . D A . 71 HEC C4D 1 1 6 7274 4 2 1 HEC CAA C 5.030 -6.020 11.161 1.00 . D A . 71 HEC CAA 1 1 6 7275 4 2 1 HEC CAB C -3.275 -10.704 8.708 1.00 . D A . 71 HEC CAB 1 1 6 7276 4 2 1 HEC CAC C -2.025 -5.305 2.917 1.00 . D A . 71 HEC CAC 1 1 6 7277 4 2 1 HEC CAD C 4.320 -2.531 6.805 1.00 . D A . 71 HEC CAD 1 1 6 7278 4 2 1 HEC CBA C 6.009 -7.156 10.836 1.00 . D A . 71 HEC CBA 1 1 6 7279 4 2 1 HEC CBB C -4.141 -10.487 9.954 1.00 . D A . 71 HEC CBB 1 1 6 7280 4 2 1 HEC CBC C -3.475 -4.810 2.855 1.00 . D A . 71 HEC CBC 1 1 6 7281 4 2 1 HEC CBD C 5.726 -3.127 6.963 1.00 . D A . 71 HEC CBD 1 1 6 7282 4 2 1 HEC CGA C 7.393 -7.051 11.479 1.00 . D A . 71 HEC CGA 1 1 6 7283 4 2 1 HEC CGD C 6.297 -2.891 8.370 1.00 . D A . 71 HEC CGD 1 1 6 7284 4 2 1 HEC CHA C 3.377 -4.901 8.667 1.00 . D A . 71 HEC CHA 1 1 6 7285 4 2 1 HEC CHB C 0.862 -8.631 10.544 1.00 . D A . 71 HEC CHB 1 1 6 7286 4 2 1 HEC CHC C -2.089 -8.610 6.688 1.00 . D A . 71 HEC CHC 1 1 6 7287 4 2 1 HEC CHD C 0.316 -4.791 4.894 1.00 . D A . 71 HEC CHD 1 1 6 7288 4 2 1 HEC CMA C 3.059 -8.004 12.596 1.00 . D A . 71 HEC CMA 1 1 6 7289 4 2 1 HEC CMB C -1.004 -11.044 10.936 1.00 . D A . 71 HEC CMB 1 1 6 7290 4 2 1 HEC CMC C -3.453 -7.965 4.020 1.00 . D A . 71 HEC CMC 1 1 6 7291 4 2 1 HEC CMD C 2.319 -2.561 4.337 1.00 . D A . 71 HEC CMD 1 1 6 7292 4 2 1 HEC FE FE 0.588 -6.710 7.743 1.00 . D A . 71 HEC FE 1 1 6 7293 4 2 1 HEC HAA1 H 5.402 -5.113 10.691 1.00 . D A . 71 HEC HAA1 1 1 6 7294 4 2 1 HEC HAA2 H 5.039 -5.851 12.237 1.00 . D A . 71 HEC HAA2 1 1 6 7295 4 2 1 HEC HAB H -3.853 -10.268 7.907 1.00 . D A . 71 HEC HAB 1 1 6 7296 4 2 1 HEC HAC H -1.435 -4.396 2.863 1.00 . D A . 71 HEC HAC 1 1 6 7297 4 2 1 HEC HAD1 H 4.367 -1.772 6.029 1.00 . D A . 71 HEC HAD1 1 1 6 7298 4 2 1 HEC HAD2 H 4.077 -2.011 7.714 1.00 . D A . 71 HEC HAD2 1 1 6 7299 4 2 1 HEC HBA1 H 5.579 -8.085 11.214 1.00 . D A . 71 HEC HBA1 1 1 6 7300 4 2 1 HEC HBA2 H 6.112 -7.226 9.753 1.00 . D A . 71 HEC HBA2 1 1 6 7301 4 2 1 HEC HBB1 H -4.238 -9.419 10.149 1.00 . D A . 71 HEC HBB1 1 1 6 7302 4 2 1 HEC HBB2 H -5.134 -10.897 9.773 1.00 . D A . 71 HEC HBB2 1 1 6 7303 4 2 1 HEC HBB3 H -3.714 -10.978 10.826 1.00 . D A . 71 HEC HBB3 1 1 6 7304 4 2 1 HEC HBC1 H -4.181 -5.629 2.736 1.00 . D A . 71 HEC HBC1 1 1 6 7305 4 2 1 HEC HBC2 H -3.709 -4.274 3.775 1.00 . D A . 71 HEC HBC2 1 1 6 7306 4 2 1 HEC HBC3 H -3.587 -4.121 2.018 1.00 . D A . 71 HEC HBC3 1 1 6 7307 4 2 1 HEC HBD1 H 5.685 -4.196 6.742 1.00 . D A . 71 HEC HBD1 1 1 6 7308 4 2 1 HEC HBD2 H 6.387 -2.657 6.235 1.00 . D A . 71 HEC HBD2 1 1 6 7309 4 2 1 HEC HHA H 4.267 -4.369 8.947 1.00 . D A . 71 HEC HHA 1 1 6 7310 4 2 1 HEC HHB H 0.919 -9.204 11.449 1.00 . D A . 71 HEC HHB 1 1 6 7311 4 2 1 HEC HHC H -2.926 -9.180 6.345 1.00 . D A . 71 HEC HHC 1 1 6 7312 4 2 1 HEC HHD H 0.271 -4.218 3.984 1.00 . D A . 71 HEC HHD 1 1 6 7313 4 2 1 HEC HMA1 H 3.062 -9.083 12.474 1.00 . D A . 71 HEC HMA1 1 1 6 7314 4 2 1 HEC HMA2 H 4.009 -7.699 13.032 1.00 . D A . 71 HEC HMA2 1 1 6 7315 4 2 1 HEC HMA3 H 2.253 -7.718 13.272 1.00 . D A . 71 HEC HMA3 1 1 6 7316 4 2 1 HEC HMB1 H 0.021 -11.373 11.101 1.00 . D A . 71 HEC HMB1 1 1 6 7317 4 2 1 HEC HMB2 H -1.399 -10.593 11.845 1.00 . D A . 71 HEC HMB2 1 1 6 7318 4 2 1 HEC HMB3 H -1.598 -11.918 10.673 1.00 . D A . 71 HEC HMB3 1 1 6 7319 4 2 1 HEC HMC1 H -3.281 -9.037 4.105 1.00 . D A . 71 HEC HMC1 1 1 6 7320 4 2 1 HEC HMC2 H -4.388 -7.711 4.519 1.00 . D A . 71 HEC HMC2 1 1 6 7321 4 2 1 HEC HMC3 H -3.521 -7.723 2.963 1.00 . D A . 71 HEC HMC3 1 1 6 7322 4 2 1 HEC HMD1 H 2.130 -3.127 3.435 1.00 . D A . 71 HEC HMD1 1 1 6 7323 4 2 1 HEC HMD2 H 1.544 -1.804 4.418 1.00 . D A . 71 HEC HMD2 1 1 6 7324 4 2 1 HEC HMD3 H 3.278 -2.067 4.237 1.00 . D A . 71 HEC HMD3 1 1 6 7325 4 2 1 HEC NA N 1.859 -6.751 9.299 1.00 . D A . 71 HEC NA 1 1 6 7326 4 2 1 HEC NB N -0.395 -8.336 8.451 1.00 . D A . 71 HEC NB 1 1 6 7327 4 2 1 HEC NC N -0.663 -6.686 6.139 1.00 . D A . 71 HEC NC 1 1 6 7328 4 2 1 HEC ND N 1.622 -5.126 6.958 1.00 . D A . 71 HEC ND 1 1 6 7329 4 2 1 HEC O1A O 8.387 -7.174 10.726 1.00 . D A . 71 HEC O1A 1 1 6 7330 4 2 1 HEC O1D O 6.272 -1.730 8.838 1.00 . D A . 71 HEC O1D 1 1 6 7331 4 2 1 HEC O2A O 7.450 -7.052 12.732 1.00 . D A . 71 HEC O2A 1 1 6 7332 4 2 1 HEC O2D O 6.641 -3.910 9.006 1.00 . D A . 71 HEC O2D 1 1 7 7333 1 1 1 ALA C C 7.526 4.167 -9.891 1.00 . A A . 1 ALA C 1 1 7 7334 1 1 1 ALA CA C 7.551 5.545 -9.212 1.00 . A A . 1 ALA CA 1 1 7 7335 1 1 1 ALA CB C 8.819 5.761 -8.373 1.00 . A A . 1 ALA CB 1 1 7 7336 1 1 1 ALA H1 H 6.236 5.011 -7.742 1.00 . A A . 1 ALA H1 1 1 7 7337 1 1 1 ALA H2 H 6.327 6.622 -7.886 1.00 . A A . 1 ALA H2 1 1 7 7338 1 1 1 ALA H3 H 5.514 5.735 -9.015 1.00 . A A . 1 ALA H3 1 1 7 7339 1 1 1 ALA HA H 7.563 6.298 -10.002 1.00 . A A . 1 ALA HA 1 1 7 7340 1 1 1 ALA HB1 H 8.865 5.071 -7.531 1.00 . A A . 1 ALA HB1 1 1 7 7341 1 1 1 ALA HB2 H 9.698 5.608 -8.999 1.00 . A A . 1 ALA HB2 1 1 7 7342 1 1 1 ALA HB3 H 8.839 6.782 -7.989 1.00 . A A . 1 ALA HB3 1 1 7 7343 1 1 1 ALA N N 6.325 5.756 -8.415 1.00 . A A . 1 ALA N 1 1 7 7344 1 1 1 ALA O O 7.167 4.081 -11.061 1.00 . A A . 1 ALA O 1 1 7 7345 1 1 2 ASP C C 8.126 0.909 -8.224 1.00 . A A . 2 ASP C 1 1 7 7346 1 1 2 ASP CA C 8.088 1.728 -9.518 1.00 . A A . 2 ASP CA 1 1 7 7347 1 1 2 ASP CB C 9.396 1.584 -10.305 1.00 . A A . 2 ASP CB 1 1 7 7348 1 1 2 ASP CG C 10.615 1.930 -9.456 1.00 . A A . 2 ASP CG 1 1 7 7349 1 1 2 ASP H H 8.240 3.281 -8.227 1.00 . A A . 2 ASP H 1 1 7 7350 1 1 2 ASP HA H 7.253 1.358 -10.100 1.00 . A A . 2 ASP HA 1 1 7 7351 1 1 2 ASP HB2 H 9.497 0.552 -10.643 1.00 . A A . 2 ASP HB2 1 1 7 7352 1 1 2 ASP HB3 H 9.383 2.233 -11.180 1.00 . A A . 2 ASP HB3 1 1 7 7353 1 1 2 ASP N N 7.864 3.116 -9.140 1.00 . A A . 2 ASP N 1 1 7 7354 1 1 2 ASP O O 8.249 1.492 -7.144 1.00 . A A . 2 ASP O 1 1 7 7355 1 1 2 ASP OD1 O 10.635 3.061 -8.924 1.00 . A A . 2 ASP OD1 1 1 7 7356 1 1 2 ASP OD2 O 11.501 1.056 -9.364 1.00 . A A . 2 ASP OD2 1 1 7 7357 1 1 3 VAL C C 8.639 -1.214 -6.129 1.00 . A A . 3 VAL C 1 1 7 7358 1 1 3 VAL CA C 7.567 -1.289 -7.222 1.00 . A A . 3 VAL CA 1 1 7 7359 1 1 3 VAL CB C 7.313 -2.724 -7.731 1.00 . A A . 3 VAL CB 1 1 7 7360 1 1 3 VAL CG1 C 8.460 -3.289 -8.581 1.00 . A A . 3 VAL CG1 1 1 7 7361 1 1 3 VAL CG2 C 7.032 -3.704 -6.583 1.00 . A A . 3 VAL CG2 1 1 7 7362 1 1 3 VAL H H 7.811 -0.784 -9.270 1.00 . A A . 3 VAL H 1 1 7 7363 1 1 3 VAL HA H 6.631 -0.934 -6.790 1.00 . A A . 3 VAL HA 1 1 7 7364 1 1 3 VAL HB H 6.422 -2.695 -8.362 1.00 . A A . 3 VAL HB 1 1 7 7365 1 1 3 VAL HG11 H 8.197 -4.292 -8.918 1.00 . A A . 3 VAL HG11 1 1 7 7366 1 1 3 VAL HG12 H 8.635 -2.671 -9.460 1.00 . A A . 3 VAL HG12 1 1 7 7367 1 1 3 VAL HG13 H 9.377 -3.346 -7.995 1.00 . A A . 3 VAL HG13 1 1 7 7368 1 1 3 VAL HG21 H 6.257 -3.315 -5.927 1.00 . A A . 3 VAL HG21 1 1 7 7369 1 1 3 VAL HG22 H 6.691 -4.657 -6.992 1.00 . A A . 3 VAL HG22 1 1 7 7370 1 1 3 VAL HG23 H 7.933 -3.878 -5.995 1.00 . A A . 3 VAL HG23 1 1 7 7371 1 1 3 VAL N N 7.871 -0.399 -8.340 1.00 . A A . 3 VAL N 1 1 7 7372 1 1 3 VAL O O 9.831 -1.271 -6.418 1.00 . A A . 3 VAL O 1 1 7 7373 1 1 4 VAL C C 8.668 -2.195 -2.790 1.00 . A A . 4 VAL C 1 1 7 7374 1 1 4 VAL CA C 9.070 -1.043 -3.703 1.00 . A A . 4 VAL CA 1 1 7 7375 1 1 4 VAL CB C 8.927 0.333 -3.021 1.00 . A A . 4 VAL CB 1 1 7 7376 1 1 4 VAL CG1 C 9.546 0.404 -1.616 1.00 . A A . 4 VAL CG1 1 1 7 7377 1 1 4 VAL CG2 C 9.605 1.411 -3.868 1.00 . A A . 4 VAL CG2 1 1 7 7378 1 1 4 VAL H H 7.211 -1.184 -4.676 1.00 . A A . 4 VAL H 1 1 7 7379 1 1 4 VAL HA H 10.117 -1.180 -3.959 1.00 . A A . 4 VAL HA 1 1 7 7380 1 1 4 VAL HB H 7.867 0.573 -2.949 1.00 . A A . 4 VAL HB 1 1 7 7381 1 1 4 VAL HG11 H 9.018 -0.249 -0.925 1.00 . A A . 4 VAL HG11 1 1 7 7382 1 1 4 VAL HG12 H 10.596 0.111 -1.651 1.00 . A A . 4 VAL HG12 1 1 7 7383 1 1 4 VAL HG13 H 9.477 1.421 -1.231 1.00 . A A . 4 VAL HG13 1 1 7 7384 1 1 4 VAL HG21 H 10.672 1.204 -3.947 1.00 . A A . 4 VAL HG21 1 1 7 7385 1 1 4 VAL HG22 H 9.173 1.431 -4.864 1.00 . A A . 4 VAL HG22 1 1 7 7386 1 1 4 VAL HG23 H 9.462 2.388 -3.405 1.00 . A A . 4 VAL HG23 1 1 7 7387 1 1 4 VAL N N 8.204 -1.097 -4.871 1.00 . A A . 4 VAL N 1 1 7 7388 1 1 4 VAL O O 7.581 -2.758 -2.926 1.00 . A A . 4 VAL O 1 1 7 7389 1 1 5 THR C C 9.628 -2.414 0.605 1.00 . A A . 5 THR C 1 1 7 7390 1 1 5 THR CA C 9.052 -3.122 -0.606 1.00 . A A . 5 THR CA 1 1 7 7391 1 1 5 THR CB C 9.335 -4.627 -0.568 1.00 . A A . 5 THR CB 1 1 7 7392 1 1 5 THR CG2 C 10.827 -4.974 -0.581 1.00 . A A . 5 THR CG2 1 1 7 7393 1 1 5 THR H H 10.424 -2.058 -1.760 1.00 . A A . 5 THR H 1 1 7 7394 1 1 5 THR HA H 7.980 -2.922 -0.559 1.00 . A A . 5 THR HA 1 1 7 7395 1 1 5 THR HB H 8.863 -5.086 -1.437 1.00 . A A . 5 THR HB 1 1 7 7396 1 1 5 THR HG1 H 7.842 -4.787 0.591 1.00 . A A . 5 THR HG1 1 1 7 7397 1 1 5 THR HG21 H 11.299 -4.560 -1.473 1.00 . A A . 5 THR HG21 1 1 7 7398 1 1 5 THR HG22 H 11.324 -4.576 0.304 1.00 . A A . 5 THR HG22 1 1 7 7399 1 1 5 THR HG23 H 10.949 -6.056 -0.592 1.00 . A A . 5 THR HG23 1 1 7 7400 1 1 5 THR N N 9.530 -2.525 -1.828 1.00 . A A . 5 THR N 1 1 7 7401 1 1 5 THR O O 10.737 -1.885 0.567 1.00 . A A . 5 THR O 1 1 7 7402 1 1 5 THR OG1 O 8.744 -5.130 0.609 1.00 . A A . 5 THR OG1 1 1 7 7403 1 1 6 TYR C C 10.238 -3.164 3.563 1.00 . A A . 6 TYR C 1 1 7 7404 1 1 6 TYR CA C 9.267 -2.108 3.018 1.00 . A A . 6 TYR CA 1 1 7 7405 1 1 6 TYR CB C 8.018 -1.979 3.904 1.00 . A A . 6 TYR CB 1 1 7 7406 1 1 6 TYR CD1 C 7.413 0.352 3.070 1.00 . A A . 6 TYR CD1 1 1 7 7407 1 1 6 TYR CD2 C 5.658 -1.314 3.253 1.00 . A A . 6 TYR CD2 1 1 7 7408 1 1 6 TYR CE1 C 6.509 1.229 2.443 1.00 . A A . 6 TYR CE1 1 1 7 7409 1 1 6 TYR CE2 C 4.751 -0.432 2.645 1.00 . A A . 6 TYR CE2 1 1 7 7410 1 1 6 TYR CG C 7.004 -0.947 3.431 1.00 . A A . 6 TYR CG 1 1 7 7411 1 1 6 TYR CZ C 5.171 0.846 2.252 1.00 . A A . 6 TYR CZ 1 1 7 7412 1 1 6 TYR H H 7.934 -2.875 1.573 1.00 . A A . 6 TYR H 1 1 7 7413 1 1 6 TYR HA H 9.783 -1.156 2.994 1.00 . A A . 6 TYR HA 1 1 7 7414 1 1 6 TYR HB2 H 7.540 -2.959 3.953 1.00 . A A . 6 TYR HB2 1 1 7 7415 1 1 6 TYR HB3 H 8.325 -1.730 4.918 1.00 . A A . 6 TYR HB3 1 1 7 7416 1 1 6 TYR HD1 H 8.439 0.660 3.198 1.00 . A A . 6 TYR HD1 1 1 7 7417 1 1 6 TYR HD2 H 5.322 -2.290 3.556 1.00 . A A . 6 TYR HD2 1 1 7 7418 1 1 6 TYR HE1 H 6.884 2.134 1.994 1.00 . A A . 6 TYR HE1 1 1 7 7419 1 1 6 TYR HE2 H 3.741 -0.749 2.443 1.00 . A A . 6 TYR HE2 1 1 7 7420 1 1 6 TYR HH H 4.311 1.120 0.556 1.00 . A A . 6 TYR HH 1 1 7 7421 1 1 6 TYR N N 8.839 -2.446 1.677 1.00 . A A . 6 TYR N 1 1 7 7422 1 1 6 TYR O O 11.085 -2.838 4.390 1.00 . A A . 6 TYR O 1 1 7 7423 1 1 6 TYR OH O 4.380 1.565 1.408 1.00 . A A . 6 TYR OH 1 1 7 7424 1 1 7 GLU C C 9.934 -5.784 5.141 1.00 . A A . 7 GLU C 1 1 7 7425 1 1 7 GLU CA C 10.624 -5.608 3.779 1.00 . A A . 7 GLU CA 1 1 7 7426 1 1 7 GLU CB C 12.156 -5.591 3.892 1.00 . A A . 7 GLU CB 1 1 7 7427 1 1 7 GLU CD C 14.228 -6.965 4.486 1.00 . A A . 7 GLU CD 1 1 7 7428 1 1 7 GLU CG C 12.781 -6.992 4.011 1.00 . A A . 7 GLU CG 1 1 7 7429 1 1 7 GLU H H 9.470 -4.582 2.331 1.00 . A A . 7 GLU H 1 1 7 7430 1 1 7 GLU HA H 10.371 -6.444 3.134 1.00 . A A . 7 GLU HA 1 1 7 7431 1 1 7 GLU HB2 H 12.567 -5.128 2.997 1.00 . A A . 7 GLU HB2 1 1 7 7432 1 1 7 GLU HB3 H 12.433 -5.000 4.763 1.00 . A A . 7 GLU HB3 1 1 7 7433 1 1 7 GLU HG2 H 12.239 -7.605 4.723 1.00 . A A . 7 GLU HG2 1 1 7 7434 1 1 7 GLU HG3 H 12.768 -7.469 3.031 1.00 . A A . 7 GLU HG3 1 1 7 7435 1 1 7 GLU N N 10.101 -4.421 3.108 1.00 . A A . 7 GLU N 1 1 7 7436 1 1 7 GLU O O 9.411 -4.835 5.717 1.00 . A A . 7 GLU O 1 1 7 7437 1 1 7 GLU OE1 O 15.002 -6.164 3.921 1.00 . A A . 7 GLU OE1 1 1 7 7438 1 1 7 GLU OE2 O 14.533 -7.765 5.400 1.00 . A A . 7 GLU OE2 1 1 7 7439 1 1 8 ASN C C 10.020 -8.673 7.365 1.00 . A A . 8 ASN C 1 1 7 7440 1 1 8 ASN CA C 9.399 -7.349 6.979 1.00 . A A . 8 ASN CA 1 1 7 7441 1 1 8 ASN CB C 7.882 -7.551 6.987 1.00 . A A . 8 ASN CB 1 1 7 7442 1 1 8 ASN CG C 7.093 -6.295 6.680 1.00 . A A . 8 ASN CG 1 1 7 7443 1 1 8 ASN H H 10.365 -7.759 5.155 1.00 . A A . 8 ASN H 1 1 7 7444 1 1 8 ASN HA H 9.692 -6.609 7.725 1.00 . A A . 8 ASN HA 1 1 7 7445 1 1 8 ASN HB2 H 7.640 -8.334 6.279 1.00 . A A . 8 ASN HB2 1 1 7 7446 1 1 8 ASN HB3 H 7.567 -7.886 7.971 1.00 . A A . 8 ASN HB3 1 1 7 7447 1 1 8 ASN HD21 H 6.594 -7.014 4.840 1.00 . A A . 8 ASN HD21 1 1 7 7448 1 1 8 ASN HD22 H 6.042 -5.376 5.248 1.00 . A A . 8 ASN HD22 1 1 7 7449 1 1 8 ASN N N 9.891 -7.015 5.647 1.00 . A A . 8 ASN N 1 1 7 7450 1 1 8 ASN ND2 N 6.523 -6.232 5.482 1.00 . A A . 8 ASN ND2 1 1 7 7451 1 1 8 ASN O O 10.462 -9.427 6.496 1.00 . A A . 8 ASN O 1 1 7 7452 1 1 8 ASN OD1 O 6.956 -5.419 7.521 1.00 . A A . 8 ASN OD1 1 1 7 7453 1 1 9 LYS C C 9.062 -11.278 8.787 1.00 . A A . 9 LYS C 1 1 7 7454 1 1 9 LYS CA C 10.228 -10.342 9.122 1.00 . A A . 9 LYS CA 1 1 7 7455 1 1 9 LYS CB C 10.524 -10.304 10.625 1.00 . A A . 9 LYS CB 1 1 7 7456 1 1 9 LYS CD C 12.976 -10.997 10.463 1.00 . A A . 9 LYS CD 1 1 7 7457 1 1 9 LYS CE C 13.890 -10.489 9.334 1.00 . A A . 9 LYS CE 1 1 7 7458 1 1 9 LYS CG C 11.980 -9.911 10.916 1.00 . A A . 9 LYS CG 1 1 7 7459 1 1 9 LYS H H 9.519 -8.334 9.306 1.00 . A A . 9 LYS H 1 1 7 7460 1 1 9 LYS HA H 11.094 -10.740 8.595 1.00 . A A . 9 LYS HA 1 1 7 7461 1 1 9 LYS HB2 H 9.854 -9.594 11.112 1.00 . A A . 9 LYS HB2 1 1 7 7462 1 1 9 LYS HB3 H 10.330 -11.283 11.047 1.00 . A A . 9 LYS HB3 1 1 7 7463 1 1 9 LYS HD2 H 13.587 -11.284 11.321 1.00 . A A . 9 LYS HD2 1 1 7 7464 1 1 9 LYS HD3 H 12.425 -11.884 10.140 1.00 . A A . 9 LYS HD3 1 1 7 7465 1 1 9 LYS HE2 H 13.290 -10.046 8.535 1.00 . A A . 9 LYS HE2 1 1 7 7466 1 1 9 LYS HE3 H 14.547 -9.715 9.733 1.00 . A A . 9 LYS HE3 1 1 7 7467 1 1 9 LYS HG2 H 12.196 -8.950 10.442 1.00 . A A . 9 LYS HG2 1 1 7 7468 1 1 9 LYS HG3 H 12.076 -9.774 11.995 1.00 . A A . 9 LYS HG3 1 1 7 7469 1 1 9 LYS HZ1 H 15.310 -11.175 8.028 1.00 . A A . 9 LYS HZ1 1 1 7 7470 1 1 9 LYS HZ2 H 15.295 -11.995 9.456 1.00 . A A . 9 LYS HZ2 1 1 7 7471 1 1 9 LYS HZ3 H 14.123 -12.268 8.328 1.00 . A A . 9 LYS HZ3 1 1 7 7472 1 1 9 LYS N N 9.961 -8.997 8.655 1.00 . A A . 9 LYS N 1 1 7 7473 1 1 9 LYS NZ N 14.715 -11.566 8.747 1.00 . A A . 9 LYS NZ 1 1 7 7474 1 1 9 LYS O O 9.265 -12.487 8.701 1.00 . A A . 9 LYS O 1 1 7 7475 1 1 10 LYS C C 6.824 -12.004 6.794 1.00 . A A . 10 LYS C 1 1 7 7476 1 1 10 LYS CA C 6.687 -11.558 8.251 1.00 . A A . 10 LYS CA 1 1 7 7477 1 1 10 LYS CB C 5.352 -10.820 8.482 1.00 . A A . 10 LYS CB 1 1 7 7478 1 1 10 LYS CD C 5.817 -10.459 11.003 1.00 . A A . 10 LYS CD 1 1 7 7479 1 1 10 LYS CE C 4.955 -11.640 11.467 1.00 . A A . 10 LYS CE 1 1 7 7480 1 1 10 LYS CG C 5.334 -9.857 9.671 1.00 . A A . 10 LYS CG 1 1 7 7481 1 1 10 LYS H H 7.748 -9.748 8.734 1.00 . A A . 10 LYS H 1 1 7 7482 1 1 10 LYS HA H 6.687 -12.446 8.884 1.00 . A A . 10 LYS HA 1 1 7 7483 1 1 10 LYS HB2 H 5.101 -10.213 7.613 1.00 . A A . 10 LYS HB2 1 1 7 7484 1 1 10 LYS HB3 H 4.558 -11.559 8.591 1.00 . A A . 10 LYS HB3 1 1 7 7485 1 1 10 LYS HD2 H 6.856 -10.775 10.911 1.00 . A A . 10 LYS HD2 1 1 7 7486 1 1 10 LYS HD3 H 5.794 -9.673 11.758 1.00 . A A . 10 LYS HD3 1 1 7 7487 1 1 10 LYS HE2 H 3.917 -11.315 11.546 1.00 . A A . 10 LYS HE2 1 1 7 7488 1 1 10 LYS HE3 H 5.012 -12.445 10.732 1.00 . A A . 10 LYS HE3 1 1 7 7489 1 1 10 LYS HG2 H 5.976 -9.024 9.397 1.00 . A A . 10 LYS HG2 1 1 7 7490 1 1 10 LYS HG3 H 4.328 -9.434 9.767 1.00 . A A . 10 LYS HG3 1 1 7 7491 1 1 10 LYS HZ1 H 6.366 -12.485 12.702 1.00 . A A . 10 LYS HZ1 1 1 7 7492 1 1 10 LYS HZ2 H 5.362 -11.440 13.477 1.00 . A A . 10 LYS HZ2 1 1 7 7493 1 1 10 LYS HZ3 H 4.827 -12.938 13.057 1.00 . A A . 10 LYS HZ3 1 1 7 7494 1 1 10 LYS N N 7.848 -10.744 8.608 1.00 . A A . 10 LYS N 1 1 7 7495 1 1 10 LYS NZ N 5.411 -12.163 12.773 1.00 . A A . 10 LYS NZ 1 1 7 7496 1 1 10 LYS O O 6.966 -13.190 6.509 1.00 . A A . 10 LYS O 1 1 7 7497 1 1 11 GLY C C 7.015 -9.799 3.837 1.00 . A A . 11 GLY C 1 1 7 7498 1 1 11 GLY CA C 6.916 -11.192 4.452 1.00 . A A . 11 GLY CA 1 1 7 7499 1 1 11 GLY H H 6.653 -10.081 6.212 1.00 . A A . 11 GLY H 1 1 7 7500 1 1 11 GLY HA2 H 7.819 -11.766 4.241 1.00 . A A . 11 GLY HA2 1 1 7 7501 1 1 11 GLY HA3 H 6.054 -11.716 4.042 1.00 . A A . 11 GLY HA3 1 1 7 7502 1 1 11 GLY N N 6.778 -11.027 5.886 1.00 . A A . 11 GLY N 1 1 7 7503 1 1 11 GLY O O 6.346 -8.866 4.303 1.00 . A A . 11 GLY O 1 1 7 7504 1 1 12 ASN C C 6.960 -7.824 1.539 1.00 . A A . 12 ASN C 1 1 7 7505 1 1 12 ASN CA C 8.213 -8.367 2.220 1.00 . A A . 12 ASN CA 1 1 7 7506 1 1 12 ASN CB C 9.316 -8.539 1.170 1.00 . A A . 12 ASN CB 1 1 7 7507 1 1 12 ASN CG C 10.687 -8.955 1.704 1.00 . A A . 12 ASN CG 1 1 7 7508 1 1 12 ASN H H 8.356 -10.471 2.488 1.00 . A A . 12 ASN H 1 1 7 7509 1 1 12 ASN HA H 8.576 -7.660 2.974 1.00 . A A . 12 ASN HA 1 1 7 7510 1 1 12 ASN HB2 H 8.968 -9.262 0.437 1.00 . A A . 12 ASN HB2 1 1 7 7511 1 1 12 ASN HB3 H 9.451 -7.590 0.652 1.00 . A A . 12 ASN HB3 1 1 7 7512 1 1 12 ASN HD21 H 10.020 -9.300 3.613 1.00 . A A . 12 ASN HD21 1 1 7 7513 1 1 12 ASN HD22 H 11.736 -9.490 3.332 1.00 . A A . 12 ASN HD22 1 1 7 7514 1 1 12 ASN N N 7.892 -9.647 2.843 1.00 . A A . 12 ASN N 1 1 7 7515 1 1 12 ASN ND2 N 10.807 -9.294 2.987 1.00 . A A . 12 ASN ND2 1 1 7 7516 1 1 12 ASN O O 6.443 -8.434 0.602 1.00 . A A . 12 ASN O 1 1 7 7517 1 1 12 ASN OD1 O 11.655 -8.971 0.953 1.00 . A A . 12 ASN OD1 1 1 7 7518 1 1 13 VAL C C 5.634 -5.532 0.081 1.00 . A A . 13 VAL C 1 1 7 7519 1 1 13 VAL CA C 5.284 -6.045 1.467 1.00 . A A . 13 VAL CA 1 1 7 7520 1 1 13 VAL CB C 4.814 -4.932 2.410 1.00 . A A . 13 VAL CB 1 1 7 7521 1 1 13 VAL CG1 C 3.841 -3.952 1.741 1.00 . A A . 13 VAL CG1 1 1 7 7522 1 1 13 VAL CG2 C 4.099 -5.571 3.606 1.00 . A A . 13 VAL CG2 1 1 7 7523 1 1 13 VAL H H 7.035 -6.171 2.685 1.00 . A A . 13 VAL H 1 1 7 7524 1 1 13 VAL HA H 4.481 -6.777 1.380 1.00 . A A . 13 VAL HA 1 1 7 7525 1 1 13 VAL HB H 5.689 -4.381 2.758 1.00 . A A . 13 VAL HB 1 1 7 7526 1 1 13 VAL HG11 H 3.597 -3.172 2.450 1.00 . A A . 13 VAL HG11 1 1 7 7527 1 1 13 VAL HG12 H 4.275 -3.444 0.888 1.00 . A A . 13 VAL HG12 1 1 7 7528 1 1 13 VAL HG13 H 2.938 -4.471 1.421 1.00 . A A . 13 VAL HG13 1 1 7 7529 1 1 13 VAL HG21 H 3.068 -5.814 3.353 1.00 . A A . 13 VAL HG21 1 1 7 7530 1 1 13 VAL HG22 H 4.591 -6.495 3.897 1.00 . A A . 13 VAL HG22 1 1 7 7531 1 1 13 VAL HG23 H 4.116 -4.875 4.441 1.00 . A A . 13 VAL HG23 1 1 7 7532 1 1 13 VAL N N 6.477 -6.677 2.013 1.00 . A A . 13 VAL N 1 1 7 7533 1 1 13 VAL O O 6.199 -4.449 -0.056 1.00 . A A . 13 VAL O 1 1 7 7534 1 1 14 THR C C 4.589 -5.118 -2.873 1.00 . A A . 14 THR C 1 1 7 7535 1 1 14 THR CA C 5.710 -5.985 -2.305 1.00 . A A . 14 THR CA 1 1 7 7536 1 1 14 THR CB C 5.976 -7.284 -3.075 1.00 . A A . 14 THR CB 1 1 7 7537 1 1 14 THR CG2 C 6.565 -7.007 -4.461 1.00 . A A . 14 THR CG2 1 1 7 7538 1 1 14 THR H H 4.905 -7.215 -0.755 1.00 . A A . 14 THR H 1 1 7 7539 1 1 14 THR HA H 6.633 -5.403 -2.314 1.00 . A A . 14 THR HA 1 1 7 7540 1 1 14 THR HB H 5.045 -7.843 -3.187 1.00 . A A . 14 THR HB 1 1 7 7541 1 1 14 THR HG1 H 6.617 -8.166 -1.428 1.00 . A A . 14 THR HG1 1 1 7 7542 1 1 14 THR HG21 H 5.857 -6.442 -5.070 1.00 . A A . 14 THR HG21 1 1 7 7543 1 1 14 THR HG22 H 7.491 -6.438 -4.367 1.00 . A A . 14 THR HG22 1 1 7 7544 1 1 14 THR HG23 H 6.778 -7.952 -4.960 1.00 . A A . 14 THR HG23 1 1 7 7545 1 1 14 THR N N 5.350 -6.325 -0.942 1.00 . A A . 14 THR N 1 1 7 7546 1 1 14 THR O O 3.797 -5.566 -3.700 1.00 . A A . 14 THR O 1 1 7 7547 1 1 14 THR OG1 O 6.911 -8.061 -2.343 1.00 . A A . 14 THR OG1 1 1 7 7548 1 1 15 PHE C C 3.954 -2.429 -4.229 1.00 . A A . 15 PHE C 1 1 7 7549 1 1 15 PHE CA C 3.496 -2.942 -2.866 1.00 . A A . 15 PHE CA 1 1 7 7550 1 1 15 PHE CB C 3.211 -1.818 -1.853 1.00 . A A . 15 PHE CB 1 1 7 7551 1 1 15 PHE CD1 C 5.367 -1.042 -0.786 1.00 . A A . 15 PHE CD1 1 1 7 7552 1 1 15 PHE CD2 C 4.170 0.488 -2.255 1.00 . A A . 15 PHE CD2 1 1 7 7553 1 1 15 PHE CE1 C 6.306 -0.041 -0.512 1.00 . A A . 15 PHE CE1 1 1 7 7554 1 1 15 PHE CE2 C 5.106 1.495 -1.968 1.00 . A A . 15 PHE CE2 1 1 7 7555 1 1 15 PHE CG C 4.288 -0.777 -1.646 1.00 . A A . 15 PHE CG 1 1 7 7556 1 1 15 PHE CZ C 6.151 1.238 -1.066 1.00 . A A . 15 PHE CZ 1 1 7 7557 1 1 15 PHE H H 5.213 -3.561 -1.744 1.00 . A A . 15 PHE H 1 1 7 7558 1 1 15 PHE HA H 2.552 -3.478 -2.988 1.00 . A A . 15 PHE HA 1 1 7 7559 1 1 15 PHE HB2 H 2.312 -1.296 -2.180 1.00 . A A . 15 PHE HB2 1 1 7 7560 1 1 15 PHE HB3 H 2.995 -2.257 -0.883 1.00 . A A . 15 PHE HB3 1 1 7 7561 1 1 15 PHE HD1 H 5.483 -2.006 -0.320 1.00 . A A . 15 PHE HD1 1 1 7 7562 1 1 15 PHE HD2 H 3.384 0.679 -2.973 1.00 . A A . 15 PHE HD2 1 1 7 7563 1 1 15 PHE HE1 H 7.099 -0.235 0.195 1.00 . A A . 15 PHE HE1 1 1 7 7564 1 1 15 PHE HE2 H 5.020 2.466 -2.437 1.00 . A A . 15 PHE HE2 1 1 7 7565 1 1 15 PHE HZ H 6.846 2.014 -0.796 1.00 . A A . 15 PHE HZ 1 1 7 7566 1 1 15 PHE N N 4.489 -3.882 -2.376 1.00 . A A . 15 PHE N 1 1 7 7567 1 1 15 PHE O O 4.977 -1.747 -4.336 1.00 . A A . 15 PHE O 1 1 7 7568 1 1 16 ASP C C 3.053 -0.593 -6.327 1.00 . A A . 16 ASP C 1 1 7 7569 1 1 16 ASP CA C 3.421 -2.060 -6.541 1.00 . A A . 16 ASP CA 1 1 7 7570 1 1 16 ASP CB C 2.701 -2.719 -7.724 1.00 . A A . 16 ASP CB 1 1 7 7571 1 1 16 ASP CG C 3.382 -2.394 -9.060 1.00 . A A . 16 ASP CG 1 1 7 7572 1 1 16 ASP H H 2.394 -3.344 -5.175 1.00 . A A . 16 ASP H 1 1 7 7573 1 1 16 ASP HA H 4.486 -2.113 -6.765 1.00 . A A . 16 ASP HA 1 1 7 7574 1 1 16 ASP HB2 H 2.745 -3.801 -7.597 1.00 . A A . 16 ASP HB2 1 1 7 7575 1 1 16 ASP HB3 H 1.656 -2.422 -7.749 1.00 . A A . 16 ASP HB3 1 1 7 7576 1 1 16 ASP N N 3.206 -2.758 -5.288 1.00 . A A . 16 ASP N 1 1 7 7577 1 1 16 ASP O O 2.361 -0.225 -5.377 1.00 . A A . 16 ASP O 1 1 7 7578 1 1 16 ASP OD1 O 3.563 -1.190 -9.359 1.00 . A A . 16 ASP OD1 1 1 7 7579 1 1 16 ASP OD2 O 3.711 -3.360 -9.775 1.00 . A A . 16 ASP OD2 1 1 7 7580 1 1 17 HIS C C 3.378 2.299 -8.349 1.00 . A A . 17 HIS C 1 1 7 7581 1 1 17 HIS CA C 3.753 1.659 -7.023 1.00 . A A . 17 HIS CA 1 1 7 7582 1 1 17 HIS CB C 5.234 1.864 -6.693 1.00 . A A . 17 HIS CB 1 1 7 7583 1 1 17 HIS CD2 C 4.801 4.304 -6.081 1.00 . A A . 17 HIS CD2 1 1 7 7584 1 1 17 HIS CE1 C 6.808 4.882 -5.419 1.00 . A A . 17 HIS CE1 1 1 7 7585 1 1 17 HIS CG C 5.636 3.244 -6.275 1.00 . A A . 17 HIS CG 1 1 7 7586 1 1 17 HIS H H 3.935 -0.193 -8.049 1.00 . A A . 17 HIS H 1 1 7 7587 1 1 17 HIS HA H 3.117 2.030 -6.218 1.00 . A A . 17 HIS HA 1 1 7 7588 1 1 17 HIS HB2 H 5.531 1.180 -5.899 1.00 . A A . 17 HIS HB2 1 1 7 7589 1 1 17 HIS HB3 H 5.807 1.606 -7.573 1.00 . A A . 17 HIS HB3 1 1 7 7590 1 1 17 HIS HD1 H 7.709 3.001 -5.874 1.00 . A A . 17 HIS HD1 1 1 7 7591 1 1 17 HIS HD2 H 3.741 4.303 -6.263 1.00 . A A . 17 HIS HD2 1 1 7 7592 1 1 17 HIS HE1 H 7.623 5.432 -4.975 1.00 . A A . 17 HIS HE1 1 1 7 7593 1 1 17 HIS N N 3.579 0.242 -7.200 1.00 . A A . 17 HIS N 1 1 7 7594 1 1 17 HIS ND1 N 6.896 3.614 -5.866 1.00 . A A . 17 HIS ND1 1 1 7 7595 1 1 17 HIS NE2 N 5.554 5.353 -5.554 1.00 . A A . 17 HIS NE2 1 1 7 7596 1 1 17 HIS O O 2.456 3.100 -8.431 1.00 . A A . 17 HIS O 1 1 7 7597 1 1 18 LYS C C 2.447 1.766 -11.182 1.00 . A A . 18 LYS C 1 1 7 7598 1 1 18 LYS CA C 3.825 2.250 -10.773 1.00 . A A . 18 LYS CA 1 1 7 7599 1 1 18 LYS CB C 4.900 1.601 -11.635 1.00 . A A . 18 LYS CB 1 1 7 7600 1 1 18 LYS CD C 5.892 1.522 -13.888 1.00 . A A . 18 LYS CD 1 1 7 7601 1 1 18 LYS CE C 5.706 1.792 -15.390 1.00 . A A . 18 LYS CE 1 1 7 7602 1 1 18 LYS CG C 4.589 1.743 -13.116 1.00 . A A . 18 LYS CG 1 1 7 7603 1 1 18 LYS H H 4.767 1.167 -9.252 1.00 . A A . 18 LYS H 1 1 7 7604 1 1 18 LYS HA H 3.879 3.334 -10.886 1.00 . A A . 18 LYS HA 1 1 7 7605 1 1 18 LYS HB2 H 5.825 2.122 -11.428 1.00 . A A . 18 LYS HB2 1 1 7 7606 1 1 18 LYS HB3 H 5.018 0.543 -11.389 1.00 . A A . 18 LYS HB3 1 1 7 7607 1 1 18 LYS HD2 H 6.663 2.186 -13.471 1.00 . A A . 18 LYS HD2 1 1 7 7608 1 1 18 LYS HD3 H 6.221 0.496 -13.713 1.00 . A A . 18 LYS HD3 1 1 7 7609 1 1 18 LYS HE2 H 5.689 2.872 -15.552 1.00 . A A . 18 LYS HE2 1 1 7 7610 1 1 18 LYS HE3 H 6.554 1.373 -15.933 1.00 . A A . 18 LYS HE3 1 1 7 7611 1 1 18 LYS HG2 H 3.835 1.002 -13.387 1.00 . A A . 18 LYS HG2 1 1 7 7612 1 1 18 LYS HG3 H 4.189 2.740 -13.295 1.00 . A A . 18 LYS HG3 1 1 7 7613 1 1 18 LYS HZ1 H 4.265 0.281 -15.654 1.00 . A A . 18 LYS HZ1 1 1 7 7614 1 1 18 LYS HZ2 H 3.652 1.766 -15.551 1.00 . A A . 18 LYS HZ2 1 1 7 7615 1 1 18 LYS HZ3 H 4.381 1.327 -16.926 1.00 . A A . 18 LYS HZ3 1 1 7 7616 1 1 18 LYS N N 4.088 1.894 -9.401 1.00 . A A . 18 LYS N 1 1 7 7617 1 1 18 LYS NZ N 4.441 1.238 -15.924 1.00 . A A . 18 LYS NZ 1 1 7 7618 1 1 18 LYS O O 1.640 2.546 -11.667 1.00 . A A . 18 LYS O 1 1 7 7619 1 1 19 ALA C C -0.209 0.733 -10.598 1.00 . A A . 19 ALA C 1 1 7 7620 1 1 19 ALA CA C 0.871 -0.084 -11.291 1.00 . A A . 19 ALA CA 1 1 7 7621 1 1 19 ALA CB C 0.795 -1.506 -10.770 1.00 . A A . 19 ALA CB 1 1 7 7622 1 1 19 ALA H H 2.886 -0.119 -10.556 1.00 . A A . 19 ALA H 1 1 7 7623 1 1 19 ALA HA H 0.715 -0.081 -12.370 1.00 . A A . 19 ALA HA 1 1 7 7624 1 1 19 ALA HB1 H 1.585 -2.111 -11.212 1.00 . A A . 19 ALA HB1 1 1 7 7625 1 1 19 ALA HB2 H 0.909 -1.451 -9.689 1.00 . A A . 19 ALA HB2 1 1 7 7626 1 1 19 ALA HB3 H -0.180 -1.926 -11.011 1.00 . A A . 19 ALA HB3 1 1 7 7627 1 1 19 ALA N N 2.175 0.479 -10.987 1.00 . A A . 19 ALA N 1 1 7 7628 1 1 19 ALA O O -1.116 1.235 -11.248 1.00 . A A . 19 ALA O 1 1 7 7629 1 1 20 HIS C C -1.119 3.068 -9.119 1.00 . A A . 20 HIS C 1 1 7 7630 1 1 20 HIS CA C -1.027 1.673 -8.497 1.00 . A A . 20 HIS CA 1 1 7 7631 1 1 20 HIS CB C -0.594 1.713 -7.021 1.00 . A A . 20 HIS CB 1 1 7 7632 1 1 20 HIS CD2 C -1.923 0.403 -5.231 1.00 . A A . 20 HIS CD2 1 1 7 7633 1 1 20 HIS CE1 C -1.074 -1.585 -5.505 1.00 . A A . 20 HIS CE1 1 1 7 7634 1 1 20 HIS CG C -0.980 0.483 -6.226 1.00 . A A . 20 HIS CG 1 1 7 7635 1 1 20 HIS H H 0.757 0.557 -8.836 1.00 . A A . 20 HIS H 1 1 7 7636 1 1 20 HIS HA H -2.015 1.215 -8.554 1.00 . A A . 20 HIS HA 1 1 7 7637 1 1 20 HIS HB2 H 0.485 1.860 -6.952 1.00 . A A . 20 HIS HB2 1 1 7 7638 1 1 20 HIS HB3 H -1.067 2.572 -6.553 1.00 . A A . 20 HIS HB3 1 1 7 7639 1 1 20 HIS HD1 H 0.275 -1.046 -7.021 1.00 . A A . 20 HIS HD1 1 1 7 7640 1 1 20 HIS HD2 H -2.525 1.218 -4.871 1.00 . A A . 20 HIS HD2 1 1 7 7641 1 1 20 HIS HE1 H -0.872 -2.638 -5.419 1.00 . A A . 20 HIS HE1 1 1 7 7642 1 1 20 HIS N N -0.089 0.882 -9.276 1.00 . A A . 20 HIS N 1 1 7 7643 1 1 20 HIS ND1 N -0.453 -0.776 -6.379 1.00 . A A . 20 HIS ND1 1 1 7 7644 1 1 20 HIS NE2 N -1.989 -0.921 -4.777 1.00 . A A . 20 HIS NE2 1 1 7 7645 1 1 20 HIS O O -2.203 3.615 -9.275 1.00 . A A . 20 HIS O 1 1 7 7646 1 1 21 ALA C C -0.804 5.028 -11.386 1.00 . A A . 21 ALA C 1 1 7 7647 1 1 21 ALA CA C 0.046 4.963 -10.114 1.00 . A A . 21 ALA CA 1 1 7 7648 1 1 21 ALA CB C 1.486 5.425 -10.365 1.00 . A A . 21 ALA CB 1 1 7 7649 1 1 21 ALA H H 0.863 3.061 -9.474 1.00 . A A . 21 ALA H 1 1 7 7650 1 1 21 ALA HA H -0.390 5.656 -9.393 1.00 . A A . 21 ALA HA 1 1 7 7651 1 1 21 ALA HB1 H 2.069 5.347 -9.449 1.00 . A A . 21 ALA HB1 1 1 7 7652 1 1 21 ALA HB2 H 1.967 4.826 -11.132 1.00 . A A . 21 ALA HB2 1 1 7 7653 1 1 21 ALA HB3 H 1.473 6.460 -10.701 1.00 . A A . 21 ALA HB3 1 1 7 7654 1 1 21 ALA N N 0.016 3.628 -9.529 1.00 . A A . 21 ALA N 1 1 7 7655 1 1 21 ALA O O -1.719 5.826 -11.485 1.00 . A A . 21 ALA O 1 1 7 7656 1 1 22 GLU C C -2.610 3.759 -13.640 1.00 . A A . 22 GLU C 1 1 7 7657 1 1 22 GLU CA C -1.164 4.260 -13.680 1.00 . A A . 22 GLU CA 1 1 7 7658 1 1 22 GLU CB C -0.272 3.618 -14.756 1.00 . A A . 22 GLU CB 1 1 7 7659 1 1 22 GLU CD C 1.541 1.820 -15.020 1.00 . A A . 22 GLU CD 1 1 7 7660 1 1 22 GLU CG C 0.125 2.145 -14.534 1.00 . A A . 22 GLU CG 1 1 7 7661 1 1 22 GLU H H 0.152 3.478 -12.165 1.00 . A A . 22 GLU H 1 1 7 7662 1 1 22 GLU HA H -1.225 5.316 -13.951 1.00 . A A . 22 GLU HA 1 1 7 7663 1 1 22 GLU HB2 H -0.759 3.704 -15.728 1.00 . A A . 22 GLU HB2 1 1 7 7664 1 1 22 GLU HB3 H 0.624 4.238 -14.780 1.00 . A A . 22 GLU HB3 1 1 7 7665 1 1 22 GLU HG2 H 0.082 1.896 -13.480 1.00 . A A . 22 GLU HG2 1 1 7 7666 1 1 22 GLU HG3 H -0.582 1.503 -15.056 1.00 . A A . 22 GLU HG3 1 1 7 7667 1 1 22 GLU N N -0.529 4.186 -12.370 1.00 . A A . 22 GLU N 1 1 7 7668 1 1 22 GLU O O -3.484 4.338 -14.280 1.00 . A A . 22 GLU O 1 1 7 7669 1 1 22 GLU OE1 O 2.359 2.741 -15.232 1.00 . A A . 22 GLU OE1 1 1 7 7670 1 1 22 GLU OE2 O 1.881 0.629 -15.171 1.00 . A A . 22 GLU OE2 1 1 7 7671 1 1 23 LYS C C -5.059 3.315 -11.899 1.00 . A A . 23 LYS C 1 1 7 7672 1 1 23 LYS CA C -4.217 2.230 -12.576 1.00 . A A . 23 LYS CA 1 1 7 7673 1 1 23 LYS CB C -4.111 0.997 -11.668 1.00 . A A . 23 LYS CB 1 1 7 7674 1 1 23 LYS CD C -4.236 -1.032 -13.171 1.00 . A A . 23 LYS CD 1 1 7 7675 1 1 23 LYS CE C -4.955 -2.037 -12.255 1.00 . A A . 23 LYS CE 1 1 7 7676 1 1 23 LYS CG C -3.324 -0.146 -12.332 1.00 . A A . 23 LYS CG 1 1 7 7677 1 1 23 LYS H H -2.117 2.210 -12.418 1.00 . A A . 23 LYS H 1 1 7 7678 1 1 23 LYS HA H -4.701 1.955 -13.514 1.00 . A A . 23 LYS HA 1 1 7 7679 1 1 23 LYS HB2 H -3.595 1.284 -10.751 1.00 . A A . 23 LYS HB2 1 1 7 7680 1 1 23 LYS HB3 H -5.111 0.670 -11.390 1.00 . A A . 23 LYS HB3 1 1 7 7681 1 1 23 LYS HD2 H -4.921 -0.372 -13.700 1.00 . A A . 23 LYS HD2 1 1 7 7682 1 1 23 LYS HD3 H -3.604 -1.549 -13.892 1.00 . A A . 23 LYS HD3 1 1 7 7683 1 1 23 LYS HE2 H -4.220 -2.612 -11.690 1.00 . A A . 23 LYS HE2 1 1 7 7684 1 1 23 LYS HE3 H -5.586 -1.515 -11.535 1.00 . A A . 23 LYS HE3 1 1 7 7685 1 1 23 LYS HG2 H -2.548 0.247 -12.993 1.00 . A A . 23 LYS HG2 1 1 7 7686 1 1 23 LYS HG3 H -2.832 -0.742 -11.563 1.00 . A A . 23 LYS HG3 1 1 7 7687 1 1 23 LYS HZ1 H -6.215 -3.598 -12.249 1.00 . A A . 23 LYS HZ1 1 1 7 7688 1 1 23 LYS HZ2 H -6.560 -2.545 -13.463 1.00 . A A . 23 LYS HZ2 1 1 7 7689 1 1 23 LYS HZ3 H -5.266 -3.591 -13.589 1.00 . A A . 23 LYS HZ3 1 1 7 7690 1 1 23 LYS N N -2.878 2.708 -12.863 1.00 . A A . 23 LYS N 1 1 7 7691 1 1 23 LYS NZ N -5.805 -3.003 -12.976 1.00 . A A . 23 LYS NZ 1 1 7 7692 1 1 23 LYS O O -6.190 3.559 -12.311 1.00 . A A . 23 LYS O 1 1 7 7693 1 1 24 LEU C C -5.127 6.259 -10.354 1.00 . A A . 24 LEU C 1 1 7 7694 1 1 24 LEU CA C -5.299 4.794 -9.947 1.00 . A A . 24 LEU CA 1 1 7 7695 1 1 24 LEU CB C -4.902 4.587 -8.477 1.00 . A A . 24 LEU CB 1 1 7 7696 1 1 24 LEU CD1 C -4.197 2.987 -6.682 1.00 . A A . 24 LEU CD1 1 1 7 7697 1 1 24 LEU CD2 C -6.335 2.571 -7.954 1.00 . A A . 24 LEU CD2 1 1 7 7698 1 1 24 LEU CG C -4.908 3.114 -8.031 1.00 . A A . 24 LEU CG 1 1 7 7699 1 1 24 LEU H H -3.596 3.654 -10.535 1.00 . A A . 24 LEU H 1 1 7 7700 1 1 24 LEU HA H -6.360 4.552 -10.026 1.00 . A A . 24 LEU HA 1 1 7 7701 1 1 24 LEU HB2 H -3.915 5.014 -8.305 1.00 . A A . 24 LEU HB2 1 1 7 7702 1 1 24 LEU HB3 H -5.604 5.144 -7.857 1.00 . A A . 24 LEU HB3 1 1 7 7703 1 1 24 LEU HD11 H -4.652 3.638 -5.946 1.00 . A A . 24 LEU HD11 1 1 7 7704 1 1 24 LEU HD12 H -4.237 1.955 -6.336 1.00 . A A . 24 LEU HD12 1 1 7 7705 1 1 24 LEU HD13 H -3.158 3.286 -6.791 1.00 . A A . 24 LEU HD13 1 1 7 7706 1 1 24 LEU HD21 H -6.987 3.275 -7.441 1.00 . A A . 24 LEU HD21 1 1 7 7707 1 1 24 LEU HD22 H -6.718 2.400 -8.961 1.00 . A A . 24 LEU HD22 1 1 7 7708 1 1 24 LEU HD23 H -6.329 1.628 -7.413 1.00 . A A . 24 LEU HD23 1 1 7 7709 1 1 24 LEU HG H -4.357 2.483 -8.728 1.00 . A A . 24 LEU HG 1 1 7 7710 1 1 24 LEU N N -4.536 3.909 -10.821 1.00 . A A . 24 LEU N 1 1 7 7711 1 1 24 LEU O O -6.114 6.932 -10.643 1.00 . A A . 24 LEU O 1 1 7 7712 1 1 25 GLY C C -2.231 8.500 -10.081 1.00 . A A . 25 GLY C 1 1 7 7713 1 1 25 GLY CA C -3.560 8.121 -10.732 1.00 . A A . 25 GLY CA 1 1 7 7714 1 1 25 GLY H H -3.076 6.142 -10.281 1.00 . A A . 25 GLY H 1 1 7 7715 1 1 25 GLY HA2 H -3.458 8.181 -11.816 1.00 . A A . 25 GLY HA2 1 1 7 7716 1 1 25 GLY HA3 H -4.341 8.812 -10.411 1.00 . A A . 25 GLY HA3 1 1 7 7717 1 1 25 GLY N N -3.887 6.756 -10.369 1.00 . A A . 25 GLY N 1 1 7 7718 1 1 25 GLY O O -1.177 8.407 -10.705 1.00 . A A . 25 GLY O 1 1 7 7719 1 1 26 CYS C C -1.720 9.924 -6.682 1.00 . A A . 26 CYS C 1 1 7 7720 1 1 26 CYS CA C -1.160 9.398 -8.005 1.00 . A A . 26 CYS CA 1 1 7 7721 1 1 26 CYS CB C -0.379 10.507 -8.700 1.00 . A A . 26 CYS CB 1 1 7 7722 1 1 26 CYS H H -3.231 8.923 -8.405 1.00 . A A . 26 CYS H 1 1 7 7723 1 1 26 CYS HA H -0.512 8.551 -7.800 1.00 . A A . 26 CYS HA 1 1 7 7724 1 1 26 CYS HB2 H -0.436 10.465 -9.783 1.00 . A A . 26 CYS HB2 1 1 7 7725 1 1 26 CYS HB3 H -0.771 11.483 -8.411 1.00 . A A . 26 CYS HB3 1 1 7 7726 1 1 26 CYS N N -2.291 8.921 -8.817 1.00 . A A . 26 CYS N 1 1 7 7727 1 1 26 CYS O O -1.302 9.532 -5.590 1.00 . A A . 26 CYS O 1 1 7 7728 1 1 26 CYS SG S 1.374 10.456 -8.239 1.00 . A A . 26 CYS SG 1 1 7 7729 1 1 27 ASP C C -4.032 10.231 -4.829 1.00 . A A . 27 ASP C 1 1 7 7730 1 1 27 ASP CA C -3.726 11.260 -5.910 1.00 . A A . 27 ASP CA 1 1 7 7731 1 1 27 ASP CB C -5.002 11.570 -6.719 1.00 . A A . 27 ASP CB 1 1 7 7732 1 1 27 ASP CG C -5.571 10.373 -7.491 1.00 . A A . 27 ASP CG 1 1 7 7733 1 1 27 ASP H H -3.084 10.758 -7.802 1.00 . A A . 27 ASP H 1 1 7 7734 1 1 27 ASP HA H -3.362 12.175 -5.441 1.00 . A A . 27 ASP HA 1 1 7 7735 1 1 27 ASP HB2 H -5.770 11.925 -6.028 1.00 . A A . 27 ASP HB2 1 1 7 7736 1 1 27 ASP HB3 H -4.796 12.367 -7.432 1.00 . A A . 27 ASP HB3 1 1 7 7737 1 1 27 ASP N N -2.732 10.777 -6.855 1.00 . A A . 27 ASP N 1 1 7 7738 1 1 27 ASP O O -4.079 10.554 -3.647 1.00 . A A . 27 ASP O 1 1 7 7739 1 1 27 ASP OD1 O -4.762 9.485 -7.866 1.00 . A A . 27 ASP OD1 1 1 7 7740 1 1 27 ASP OD2 O -6.802 10.364 -7.690 1.00 . A A . 27 ASP OD2 1 1 7 7741 1 1 28 ALA C C -3.647 7.794 -3.176 1.00 . A A . 28 ALA C 1 1 7 7742 1 1 28 ALA CA C -4.439 7.794 -4.481 1.00 . A A . 28 ALA CA 1 1 7 7743 1 1 28 ALA CB C -4.043 6.588 -5.333 1.00 . A A . 28 ALA CB 1 1 7 7744 1 1 28 ALA H H -4.184 8.896 -6.282 1.00 . A A . 28 ALA H 1 1 7 7745 1 1 28 ALA HA H -5.504 7.745 -4.259 1.00 . A A . 28 ALA HA 1 1 7 7746 1 1 28 ALA HB1 H -3.027 6.720 -5.704 1.00 . A A . 28 ALA HB1 1 1 7 7747 1 1 28 ALA HB2 H -4.087 5.679 -4.736 1.00 . A A . 28 ALA HB2 1 1 7 7748 1 1 28 ALA HB3 H -4.721 6.509 -6.181 1.00 . A A . 28 ALA HB3 1 1 7 7749 1 1 28 ALA N N -4.205 8.986 -5.270 1.00 . A A . 28 ALA N 1 1 7 7750 1 1 28 ALA O O -4.156 7.365 -2.141 1.00 . A A . 28 ALA O 1 1 7 7751 1 1 29 CYS C C -0.804 9.577 -1.953 1.00 . A A . 29 CYS C 1 1 7 7752 1 1 29 CYS CA C -1.448 8.202 -2.143 1.00 . A A . 29 CYS CA 1 1 7 7753 1 1 29 CYS CB C -0.417 7.131 -2.404 1.00 . A A . 29 CYS CB 1 1 7 7754 1 1 29 CYS H H -2.071 8.564 -4.159 1.00 . A A . 29 CYS H 1 1 7 7755 1 1 29 CYS HA H -1.966 7.953 -1.215 1.00 . A A . 29 CYS HA 1 1 7 7756 1 1 29 CYS HB2 H 0.219 7.453 -3.229 1.00 . A A . 29 CYS HB2 1 1 7 7757 1 1 29 CYS HB3 H 0.198 6.983 -1.516 1.00 . A A . 29 CYS HB3 1 1 7 7758 1 1 29 CYS N N -2.388 8.229 -3.254 1.00 . A A . 29 CYS N 1 1 7 7759 1 1 29 CYS O O -0.681 10.071 -0.835 1.00 . A A . 29 CYS O 1 1 7 7760 1 1 29 CYS SG S -1.246 5.567 -2.849 1.00 . A A . 29 CYS SG 1 1 7 7761 1 1 30 HIS C C -0.412 12.652 -3.038 1.00 . A A . 30 HIS C 1 1 7 7762 1 1 30 HIS CA C 0.458 11.405 -2.968 1.00 . A A . 30 HIS CA 1 1 7 7763 1 1 30 HIS CB C 1.515 11.378 -4.074 1.00 . A A . 30 HIS CB 1 1 7 7764 1 1 30 HIS CD2 C 2.859 9.285 -4.654 1.00 . A A . 30 HIS CD2 1 1 7 7765 1 1 30 HIS CE1 C 4.292 9.267 -3.010 1.00 . A A . 30 HIS CE1 1 1 7 7766 1 1 30 HIS CG C 2.565 10.333 -3.839 1.00 . A A . 30 HIS CG 1 1 7 7767 1 1 30 HIS H H -0.599 9.847 -3.962 1.00 . A A . 30 HIS H 1 1 7 7768 1 1 30 HIS HA H 0.987 11.447 -2.013 1.00 . A A . 30 HIS HA 1 1 7 7769 1 1 30 HIS HB2 H 1.024 11.218 -5.036 1.00 . A A . 30 HIS HB2 1 1 7 7770 1 1 30 HIS HB3 H 2.006 12.351 -4.119 1.00 . A A . 30 HIS HB3 1 1 7 7771 1 1 30 HIS HD1 H 3.496 10.982 -2.049 1.00 . A A . 30 HIS HD1 1 1 7 7772 1 1 30 HIS HD2 H 2.337 9.027 -5.553 1.00 . A A . 30 HIS HD2 1 1 7 7773 1 1 30 HIS HE1 H 5.128 8.973 -2.395 1.00 . A A . 30 HIS HE1 1 1 7 7774 1 1 30 HIS N N -0.357 10.206 -3.043 1.00 . A A . 30 HIS N 1 1 7 7775 1 1 30 HIS ND1 N 3.458 10.308 -2.799 1.00 . A A . 30 HIS ND1 1 1 7 7776 1 1 30 HIS NE2 N 3.960 8.610 -4.127 1.00 . A A . 30 HIS NE2 1 1 7 7777 1 1 30 HIS O O -0.307 13.423 -3.989 1.00 . A A . 30 HIS O 1 1 7 7778 1 1 31 GLU C C -1.163 15.298 -1.797 1.00 . A A . 31 GLU C 1 1 7 7779 1 1 31 GLU CA C -2.052 14.067 -1.913 1.00 . A A . 31 GLU CA 1 1 7 7780 1 1 31 GLU CB C -2.989 14.006 -0.697 1.00 . A A . 31 GLU CB 1 1 7 7781 1 1 31 GLU CD C -5.098 12.894 0.065 1.00 . A A . 31 GLU CD 1 1 7 7782 1 1 31 GLU CG C -3.770 12.700 -0.657 1.00 . A A . 31 GLU CG 1 1 7 7783 1 1 31 GLU H H -1.264 12.155 -1.283 1.00 . A A . 31 GLU H 1 1 7 7784 1 1 31 GLU HA H -2.657 14.146 -2.819 1.00 . A A . 31 GLU HA 1 1 7 7785 1 1 31 GLU HB2 H -2.468 14.108 0.256 1.00 . A A . 31 GLU HB2 1 1 7 7786 1 1 31 GLU HB3 H -3.692 14.836 -0.789 1.00 . A A . 31 GLU HB3 1 1 7 7787 1 1 31 GLU HG2 H -3.949 12.405 -1.684 1.00 . A A . 31 GLU HG2 1 1 7 7788 1 1 31 GLU HG3 H -3.195 11.917 -0.163 1.00 . A A . 31 GLU HG3 1 1 7 7789 1 1 31 GLU N N -1.225 12.868 -2.004 1.00 . A A . 31 GLU N 1 1 7 7790 1 1 31 GLU O O -1.202 16.218 -2.609 1.00 . A A . 31 GLU O 1 1 7 7791 1 1 31 GLU OE1 O -5.988 13.523 -0.548 1.00 . A A . 31 GLU OE1 1 1 7 7792 1 1 31 GLU OE2 O -5.178 12.463 1.235 1.00 . A A . 31 GLU OE2 1 1 7 7793 1 1 32 GLY C C 1.594 16.621 -1.326 1.00 . A A . 32 GLY C 1 1 7 7794 1 1 32 GLY CA C 0.458 16.415 -0.327 1.00 . A A . 32 GLY CA 1 1 7 7795 1 1 32 GLY H H -0.486 14.481 -0.129 1.00 . A A . 32 GLY H 1 1 7 7796 1 1 32 GLY HA2 H -0.148 17.320 -0.278 1.00 . A A . 32 GLY HA2 1 1 7 7797 1 1 32 GLY HA3 H 0.875 16.222 0.662 1.00 . A A . 32 GLY HA3 1 1 7 7798 1 1 32 GLY N N -0.380 15.294 -0.721 1.00 . A A . 32 GLY N 1 1 7 7799 1 1 32 GLY O O 1.638 17.625 -2.031 1.00 . A A . 32 GLY O 1 1 7 7800 1 1 33 THR C C 4.440 14.377 -2.066 1.00 . A A . 33 THR C 1 1 7 7801 1 1 33 THR CA C 3.711 15.720 -2.220 1.00 . A A . 33 THR CA 1 1 7 7802 1 1 33 THR CB C 4.612 16.917 -1.843 1.00 . A A . 33 THR CB 1 1 7 7803 1 1 33 THR CG2 C 5.007 16.940 -0.361 1.00 . A A . 33 THR CG2 1 1 7 7804 1 1 33 THR H H 2.475 14.891 -0.727 1.00 . A A . 33 THR H 1 1 7 7805 1 1 33 THR HA H 3.362 15.848 -3.244 1.00 . A A . 33 THR HA 1 1 7 7806 1 1 33 THR HB H 4.091 17.851 -2.057 1.00 . A A . 33 THR HB 1 1 7 7807 1 1 33 THR HG1 H 5.612 17.331 -3.461 1.00 . A A . 33 THR HG1 1 1 7 7808 1 1 33 THR HG21 H 4.123 17.018 0.272 1.00 . A A . 33 THR HG21 1 1 7 7809 1 1 33 THR HG22 H 5.560 16.040 -0.095 1.00 . A A . 33 THR HG22 1 1 7 7810 1 1 33 THR HG23 H 5.642 17.806 -0.174 1.00 . A A . 33 THR HG23 1 1 7 7811 1 1 33 THR N N 2.539 15.678 -1.358 1.00 . A A . 33 THR N 1 1 7 7812 1 1 33 THR O O 4.445 13.826 -0.966 1.00 . A A . 33 THR O 1 1 7 7813 1 1 33 THR OG1 O 5.793 16.911 -2.615 1.00 . A A . 33 THR OG1 1 1 7 7814 1 1 34 PRO C C 7.211 12.810 -2.428 1.00 . A A . 34 PRO C 1 1 7 7815 1 1 34 PRO CA C 5.826 12.582 -3.034 1.00 . A A . 34 PRO CA 1 1 7 7816 1 1 34 PRO CB C 5.898 12.051 -4.460 1.00 . A A . 34 PRO CB 1 1 7 7817 1 1 34 PRO CD C 4.976 14.269 -4.498 1.00 . A A . 34 PRO CD 1 1 7 7818 1 1 34 PRO CG C 5.896 13.335 -5.282 1.00 . A A . 34 PRO CG 1 1 7 7819 1 1 34 PRO HA H 5.347 11.834 -2.419 1.00 . A A . 34 PRO HA 1 1 7 7820 1 1 34 PRO HB2 H 6.781 11.436 -4.614 1.00 . A A . 34 PRO HB2 1 1 7 7821 1 1 34 PRO HB3 H 5.004 11.478 -4.696 1.00 . A A . 34 PRO HB3 1 1 7 7822 1 1 34 PRO HD2 H 5.303 15.302 -4.617 1.00 . A A . 34 PRO HD2 1 1 7 7823 1 1 34 PRO HD3 H 3.952 14.156 -4.860 1.00 . A A . 34 PRO HD3 1 1 7 7824 1 1 34 PRO HG2 H 6.905 13.743 -5.299 1.00 . A A . 34 PRO HG2 1 1 7 7825 1 1 34 PRO HG3 H 5.526 13.154 -6.286 1.00 . A A . 34 PRO HG3 1 1 7 7826 1 1 34 PRO N N 5.052 13.815 -3.122 1.00 . A A . 34 PRO N 1 1 7 7827 1 1 34 PRO O O 8.209 12.273 -2.906 1.00 . A A . 34 PRO O 1 1 7 7828 1 1 35 ALA C C 8.653 12.450 0.325 1.00 . A A . 35 ALA C 1 1 7 7829 1 1 35 ALA CA C 8.510 13.687 -0.564 1.00 . A A . 35 ALA CA 1 1 7 7830 1 1 35 ALA CB C 8.445 14.993 0.231 1.00 . A A . 35 ALA CB 1 1 7 7831 1 1 35 ALA H H 6.415 13.842 -0.882 1.00 . A A . 35 ALA H 1 1 7 7832 1 1 35 ALA HA H 9.370 13.746 -1.233 1.00 . A A . 35 ALA HA 1 1 7 7833 1 1 35 ALA HB1 H 8.309 15.825 -0.463 1.00 . A A . 35 ALA HB1 1 1 7 7834 1 1 35 ALA HB2 H 7.606 14.968 0.927 1.00 . A A . 35 ALA HB2 1 1 7 7835 1 1 35 ALA HB3 H 9.372 15.136 0.785 1.00 . A A . 35 ALA HB3 1 1 7 7836 1 1 35 ALA N N 7.280 13.543 -1.319 1.00 . A A . 35 ALA N 1 1 7 7837 1 1 35 ALA O O 8.640 12.571 1.547 1.00 . A A . 35 ALA O 1 1 7 7838 1 1 36 LYS C C 7.052 9.930 0.920 1.00 . A A . 36 LYS C 1 1 7 7839 1 1 36 LYS CA C 8.475 9.980 0.346 1.00 . A A . 36 LYS CA 1 1 7 7840 1 1 36 LYS CB C 9.552 9.677 1.407 1.00 . A A . 36 LYS CB 1 1 7 7841 1 1 36 LYS CD C 11.067 7.730 0.991 1.00 . A A . 36 LYS CD 1 1 7 7842 1 1 36 LYS CE C 11.505 7.473 2.440 1.00 . A A . 36 LYS CE 1 1 7 7843 1 1 36 LYS CG C 10.871 9.232 0.760 1.00 . A A . 36 LYS CG 1 1 7 7844 1 1 36 LYS H H 8.709 11.283 -1.321 1.00 . A A . 36 LYS H 1 1 7 7845 1 1 36 LYS HA H 8.514 9.203 -0.417 1.00 . A A . 36 LYS HA 1 1 7 7846 1 1 36 LYS HB2 H 9.750 10.540 2.040 1.00 . A A . 36 LYS HB2 1 1 7 7847 1 1 36 LYS HB3 H 9.193 8.890 2.068 1.00 . A A . 36 LYS HB3 1 1 7 7848 1 1 36 LYS HD2 H 10.138 7.217 0.747 1.00 . A A . 36 LYS HD2 1 1 7 7849 1 1 36 LYS HD3 H 11.839 7.354 0.313 1.00 . A A . 36 LYS HD3 1 1 7 7850 1 1 36 LYS HE2 H 12.579 7.620 2.475 1.00 . A A . 36 LYS HE2 1 1 7 7851 1 1 36 LYS HE3 H 11.043 8.191 3.119 1.00 . A A . 36 LYS HE3 1 1 7 7852 1 1 36 LYS HG2 H 10.859 9.440 -0.309 1.00 . A A . 36 LYS HG2 1 1 7 7853 1 1 36 LYS HG3 H 11.711 9.781 1.187 1.00 . A A . 36 LYS HG3 1 1 7 7854 1 1 36 LYS HZ1 H 11.268 5.399 2.191 1.00 . A A . 36 LYS HZ1 1 1 7 7855 1 1 36 LYS HZ2 H 11.585 5.848 3.768 1.00 . A A . 36 LYS HZ2 1 1 7 7856 1 1 36 LYS HZ3 H 10.124 6.069 3.014 1.00 . A A . 36 LYS HZ3 1 1 7 7857 1 1 36 LYS N N 8.725 11.265 -0.304 1.00 . A A . 36 LYS N 1 1 7 7858 1 1 36 LYS NZ N 11.140 6.121 2.908 1.00 . A A . 36 LYS NZ 1 1 7 7859 1 1 36 LYS O O 6.279 10.876 0.764 1.00 . A A . 36 LYS O 1 1 7 7860 1 1 37 ILE C C 5.910 8.137 3.805 1.00 . A A . 37 ILE C 1 1 7 7861 1 1 37 ILE CA C 5.545 8.789 2.479 1.00 . A A . 37 ILE CA 1 1 7 7862 1 1 37 ILE CB C 4.287 8.124 1.884 1.00 . A A . 37 ILE CB 1 1 7 7863 1 1 37 ILE CD1 C 2.789 7.913 -0.180 1.00 . A A . 37 ILE CD1 1 1 7 7864 1 1 37 ILE CG1 C 4.131 8.398 0.385 1.00 . A A . 37 ILE CG1 1 1 7 7865 1 1 37 ILE CG2 C 3.054 8.614 2.659 1.00 . A A . 37 ILE CG2 1 1 7 7866 1 1 37 ILE H H 7.340 8.030 1.545 1.00 . A A . 37 ILE H 1 1 7 7867 1 1 37 ILE HA H 5.296 9.812 2.731 1.00 . A A . 37 ILE HA 1 1 7 7868 1 1 37 ILE HB H 4.370 7.044 2.007 1.00 . A A . 37 ILE HB 1 1 7 7869 1 1 37 ILE HD11 H 2.557 6.915 0.185 1.00 . A A . 37 ILE HD11 1 1 7 7870 1 1 37 ILE HD12 H 1.990 8.596 0.112 1.00 . A A . 37 ILE HD12 1 1 7 7871 1 1 37 ILE HD13 H 2.827 7.884 -1.266 1.00 . A A . 37 ILE HD13 1 1 7 7872 1 1 37 ILE HG12 H 4.219 9.465 0.194 1.00 . A A . 37 ILE HG12 1 1 7 7873 1 1 37 ILE HG13 H 4.946 7.876 -0.110 1.00 . A A . 37 ILE HG13 1 1 7 7874 1 1 37 ILE HG21 H 2.895 9.677 2.469 1.00 . A A . 37 ILE HG21 1 1 7 7875 1 1 37 ILE HG22 H 2.163 8.065 2.358 1.00 . A A . 37 ILE HG22 1 1 7 7876 1 1 37 ILE HG23 H 3.189 8.465 3.729 1.00 . A A . 37 ILE HG23 1 1 7 7877 1 1 37 ILE N N 6.695 8.813 1.566 1.00 . A A . 37 ILE N 1 1 7 7878 1 1 37 ILE O O 5.605 8.670 4.868 1.00 . A A . 37 ILE O 1 1 7 7879 1 1 38 ALA C C 5.403 5.603 5.390 1.00 . A A . 38 ALA C 1 1 7 7880 1 1 38 ALA CA C 6.753 6.057 4.836 1.00 . A A . 38 ALA CA 1 1 7 7881 1 1 38 ALA CB C 7.685 6.675 5.883 1.00 . A A . 38 ALA CB 1 1 7 7882 1 1 38 ALA H H 6.762 6.633 2.794 1.00 . A A . 38 ALA H 1 1 7 7883 1 1 38 ALA HA H 7.261 5.173 4.449 1.00 . A A . 38 ALA HA 1 1 7 7884 1 1 38 ALA HB1 H 8.597 7.005 5.385 1.00 . A A . 38 ALA HB1 1 1 7 7885 1 1 38 ALA HB2 H 7.216 7.521 6.382 1.00 . A A . 38 ALA HB2 1 1 7 7886 1 1 38 ALA HB3 H 7.934 5.920 6.629 1.00 . A A . 38 ALA HB3 1 1 7 7887 1 1 38 ALA N N 6.531 6.963 3.718 1.00 . A A . 38 ALA N 1 1 7 7888 1 1 38 ALA O O 5.003 5.943 6.503 1.00 . A A . 38 ALA O 1 1 7 7889 1 1 39 ILE C C 4.066 2.867 5.745 1.00 . A A . 39 ILE C 1 1 7 7890 1 1 39 ILE CA C 3.531 4.085 5.013 1.00 . A A . 39 ILE CA 1 1 7 7891 1 1 39 ILE CB C 2.628 3.696 3.837 1.00 . A A . 39 ILE CB 1 1 7 7892 1 1 39 ILE CD1 C 1.101 5.774 4.143 1.00 . A A . 39 ILE CD1 1 1 7 7893 1 1 39 ILE CG1 C 1.990 4.940 3.212 1.00 . A A . 39 ILE CG1 1 1 7 7894 1 1 39 ILE CG2 C 1.550 2.682 4.250 1.00 . A A . 39 ILE CG2 1 1 7 7895 1 1 39 ILE H H 5.089 4.582 3.676 1.00 . A A . 39 ILE H 1 1 7 7896 1 1 39 ILE HA H 2.946 4.682 5.712 1.00 . A A . 39 ILE HA 1 1 7 7897 1 1 39 ILE HB H 3.239 3.224 3.067 1.00 . A A . 39 ILE HB 1 1 7 7898 1 1 39 ILE HD11 H 1.700 6.296 4.887 1.00 . A A . 39 ILE HD11 1 1 7 7899 1 1 39 ILE HD12 H 0.572 6.518 3.548 1.00 . A A . 39 ILE HD12 1 1 7 7900 1 1 39 ILE HD13 H 0.365 5.142 4.639 1.00 . A A . 39 ILE HD13 1 1 7 7901 1 1 39 ILE HG12 H 2.779 5.570 2.807 1.00 . A A . 39 ILE HG12 1 1 7 7902 1 1 39 ILE HG13 H 1.375 4.590 2.395 1.00 . A A . 39 ILE HG13 1 1 7 7903 1 1 39 ILE HG21 H 2.000 1.694 4.354 1.00 . A A . 39 ILE HG21 1 1 7 7904 1 1 39 ILE HG22 H 1.091 2.970 5.194 1.00 . A A . 39 ILE HG22 1 1 7 7905 1 1 39 ILE HG23 H 0.778 2.619 3.484 1.00 . A A . 39 ILE HG23 1 1 7 7906 1 1 39 ILE N N 4.684 4.838 4.564 1.00 . A A . 39 ILE N 1 1 7 7907 1 1 39 ILE O O 4.544 1.923 5.122 1.00 . A A . 39 ILE O 1 1 7 7908 1 1 40 ASP C C 3.082 1.157 8.427 1.00 . A A . 40 ASP C 1 1 7 7909 1 1 40 ASP CA C 4.362 1.834 7.948 1.00 . A A . 40 ASP CA 1 1 7 7910 1 1 40 ASP CB C 5.194 2.303 9.163 1.00 . A A . 40 ASP CB 1 1 7 7911 1 1 40 ASP CG C 6.077 3.539 8.984 1.00 . A A . 40 ASP CG 1 1 7 7912 1 1 40 ASP H H 3.399 3.684 7.425 1.00 . A A . 40 ASP H 1 1 7 7913 1 1 40 ASP HA H 4.968 1.114 7.395 1.00 . A A . 40 ASP HA 1 1 7 7914 1 1 40 ASP HB2 H 4.522 2.470 9.995 1.00 . A A . 40 ASP HB2 1 1 7 7915 1 1 40 ASP HB3 H 5.852 1.479 9.446 1.00 . A A . 40 ASP HB3 1 1 7 7916 1 1 40 ASP N N 3.953 2.918 7.067 1.00 . A A . 40 ASP N 1 1 7 7917 1 1 40 ASP O O 1.991 1.713 8.262 1.00 . A A . 40 ASP O 1 1 7 7918 1 1 40 ASP OD1 O 6.717 3.678 7.923 1.00 . A A . 40 ASP OD1 1 1 7 7919 1 1 40 ASP OD2 O 6.096 4.346 9.948 1.00 . A A . 40 ASP OD2 1 1 7 7920 1 1 41 LYS C C 1.053 0.084 10.296 1.00 . A A . 41 LYS C 1 1 7 7921 1 1 41 LYS CA C 2.147 -0.786 9.681 1.00 . A A . 41 LYS CA 1 1 7 7922 1 1 41 LYS CB C 2.764 -1.774 10.686 1.00 . A A . 41 LYS CB 1 1 7 7923 1 1 41 LYS CD C 3.084 -1.009 13.113 1.00 . A A . 41 LYS CD 1 1 7 7924 1 1 41 LYS CE C 3.005 -2.364 13.833 1.00 . A A . 41 LYS CE 1 1 7 7925 1 1 41 LYS CG C 3.725 -1.165 11.726 1.00 . A A . 41 LYS CG 1 1 7 7926 1 1 41 LYS H H 4.144 -0.433 9.103 1.00 . A A . 41 LYS H 1 1 7 7927 1 1 41 LYS HA H 1.673 -1.377 8.896 1.00 . A A . 41 LYS HA 1 1 7 7928 1 1 41 LYS HB2 H 1.963 -2.325 11.162 1.00 . A A . 41 LYS HB2 1 1 7 7929 1 1 41 LYS HB3 H 3.347 -2.495 10.119 1.00 . A A . 41 LYS HB3 1 1 7 7930 1 1 41 LYS HD2 H 3.711 -0.328 13.693 1.00 . A A . 41 LYS HD2 1 1 7 7931 1 1 41 LYS HD3 H 2.092 -0.568 13.008 1.00 . A A . 41 LYS HD3 1 1 7 7932 1 1 41 LYS HE2 H 2.452 -3.081 13.224 1.00 . A A . 41 LYS HE2 1 1 7 7933 1 1 41 LYS HE3 H 4.018 -2.749 13.977 1.00 . A A . 41 LYS HE3 1 1 7 7934 1 1 41 LYS HG2 H 4.597 -1.819 11.803 1.00 . A A . 41 LYS HG2 1 1 7 7935 1 1 41 LYS HG3 H 4.107 -0.202 11.389 1.00 . A A . 41 LYS HG3 1 1 7 7936 1 1 41 LYS HZ1 H 2.846 -1.603 15.738 1.00 . A A . 41 LYS HZ1 1 1 7 7937 1 1 41 LYS HZ2 H 1.393 -1.927 15.032 1.00 . A A . 41 LYS HZ2 1 1 7 7938 1 1 41 LYS HZ3 H 2.326 -3.156 15.599 1.00 . A A . 41 LYS HZ3 1 1 7 7939 1 1 41 LYS N N 3.215 0.001 9.081 1.00 . A A . 41 LYS N 1 1 7 7940 1 1 41 LYS NZ N 2.343 -2.251 15.148 1.00 . A A . 41 LYS NZ 1 1 7 7941 1 1 41 LYS O O -0.130 -0.157 10.074 1.00 . A A . 41 LYS O 1 1 7 7942 1 1 42 LYS C C -0.567 2.566 10.838 1.00 . A A . 42 LYS C 1 1 7 7943 1 1 42 LYS CA C 0.603 2.078 11.705 1.00 . A A . 42 LYS CA 1 1 7 7944 1 1 42 LYS CB C 1.454 3.251 12.249 1.00 . A A . 42 LYS CB 1 1 7 7945 1 1 42 LYS CD C 3.402 4.608 11.131 1.00 . A A . 42 LYS CD 1 1 7 7946 1 1 42 LYS CE C 3.796 5.960 11.727 1.00 . A A . 42 LYS CE 1 1 7 7947 1 1 42 LYS CG C 1.920 4.223 11.144 1.00 . A A . 42 LYS CG 1 1 7 7948 1 1 42 LYS H H 2.468 1.192 11.134 1.00 . A A . 42 LYS H 1 1 7 7949 1 1 42 LYS HA H 0.147 1.527 12.525 1.00 . A A . 42 LYS HA 1 1 7 7950 1 1 42 LYS HB2 H 0.855 3.813 12.966 1.00 . A A . 42 LYS HB2 1 1 7 7951 1 1 42 LYS HB3 H 2.313 2.840 12.782 1.00 . A A . 42 LYS HB3 1 1 7 7952 1 1 42 LYS HD2 H 4.004 3.826 11.598 1.00 . A A . 42 LYS HD2 1 1 7 7953 1 1 42 LYS HD3 H 3.663 4.654 10.072 1.00 . A A . 42 LYS HD3 1 1 7 7954 1 1 42 LYS HE2 H 3.040 6.715 11.503 1.00 . A A . 42 LYS HE2 1 1 7 7955 1 1 42 LYS HE3 H 3.885 5.855 12.811 1.00 . A A . 42 LYS HE3 1 1 7 7956 1 1 42 LYS HG2 H 1.826 3.724 10.187 1.00 . A A . 42 LYS HG2 1 1 7 7957 1 1 42 LYS HG3 H 1.273 5.102 11.108 1.00 . A A . 42 LYS HG3 1 1 7 7958 1 1 42 LYS HZ1 H 4.949 6.747 10.209 1.00 . A A . 42 LYS HZ1 1 1 7 7959 1 1 42 LYS HZ2 H 5.566 7.068 11.709 1.00 . A A . 42 LYS HZ2 1 1 7 7960 1 1 42 LYS HZ3 H 5.687 5.566 10.996 1.00 . A A . 42 LYS HZ3 1 1 7 7961 1 1 42 LYS N N 1.469 1.111 11.038 1.00 . A A . 42 LYS N 1 1 7 7962 1 1 42 LYS NZ N 5.089 6.385 11.142 1.00 . A A . 42 LYS NZ 1 1 7 7963 1 1 42 LYS O O -1.665 2.763 11.349 1.00 . A A . 42 LYS O 1 1 7 7964 1 1 43 SER C C -1.611 2.116 7.629 1.00 . A A . 43 SER C 1 1 7 7965 1 1 43 SER CA C -1.241 3.268 8.558 1.00 . A A . 43 SER CA 1 1 7 7966 1 1 43 SER CB C -0.565 4.405 7.790 1.00 . A A . 43 SER CB 1 1 7 7967 1 1 43 SER H H 0.609 2.535 9.201 1.00 . A A . 43 SER H 1 1 7 7968 1 1 43 SER HA H -2.131 3.668 9.033 1.00 . A A . 43 SER HA 1 1 7 7969 1 1 43 SER HB2 H 0.283 4.026 7.217 1.00 . A A . 43 SER HB2 1 1 7 7970 1 1 43 SER HB3 H -1.285 4.843 7.101 1.00 . A A . 43 SER HB3 1 1 7 7971 1 1 43 SER HG H -0.860 5.782 9.132 1.00 . A A . 43 SER HG 1 1 7 7972 1 1 43 SER N N -0.311 2.770 9.547 1.00 . A A . 43 SER N 1 1 7 7973 1 1 43 SER O O -2.768 1.899 7.291 1.00 . A A . 43 SER O 1 1 7 7974 1 1 43 SER OG O -0.098 5.385 8.698 1.00 . A A . 43 SER OG 1 1 7 7975 1 1 44 ALA C C -1.820 -0.741 6.690 1.00 . A A . 44 ALA C 1 1 7 7976 1 1 44 ALA CA C -0.773 0.283 6.248 1.00 . A A . 44 ALA CA 1 1 7 7977 1 1 44 ALA CB C 0.590 -0.359 6.029 1.00 . A A . 44 ALA CB 1 1 7 7978 1 1 44 ALA H H 0.332 1.543 7.526 1.00 . A A . 44 ALA H 1 1 7 7979 1 1 44 ALA HA H -1.116 0.730 5.316 1.00 . A A . 44 ALA HA 1 1 7 7980 1 1 44 ALA HB1 H 0.722 -1.204 6.705 1.00 . A A . 44 ALA HB1 1 1 7 7981 1 1 44 ALA HB2 H 0.638 -0.678 4.999 1.00 . A A . 44 ALA HB2 1 1 7 7982 1 1 44 ALA HB3 H 1.396 0.355 6.182 1.00 . A A . 44 ALA HB3 1 1 7 7983 1 1 44 ALA N N -0.610 1.350 7.209 1.00 . A A . 44 ALA N 1 1 7 7984 1 1 44 ALA O O -2.696 -1.110 5.901 1.00 . A A . 44 ALA O 1 1 7 7985 1 1 45 HIS C C -4.083 -1.444 8.704 1.00 . A A . 45 HIS C 1 1 7 7986 1 1 45 HIS CA C -2.733 -2.116 8.482 1.00 . A A . 45 HIS CA 1 1 7 7987 1 1 45 HIS CB C -2.246 -2.769 9.785 1.00 . A A . 45 HIS CB 1 1 7 7988 1 1 45 HIS CD2 C -0.763 -4.522 8.620 1.00 . A A . 45 HIS CD2 1 1 7 7989 1 1 45 HIS CE1 C -1.136 -6.234 9.933 1.00 . A A . 45 HIS CE1 1 1 7 7990 1 1 45 HIS CG C -1.640 -4.133 9.598 1.00 . A A . 45 HIS CG 1 1 7 7991 1 1 45 HIS H H -1.085 -0.759 8.608 1.00 . A A . 45 HIS H 1 1 7 7992 1 1 45 HIS HA H -2.901 -2.905 7.745 1.00 . A A . 45 HIS HA 1 1 7 7993 1 1 45 HIS HB2 H -1.535 -2.130 10.304 1.00 . A A . 45 HIS HB2 1 1 7 7994 1 1 45 HIS HB3 H -3.099 -2.903 10.451 1.00 . A A . 45 HIS HB3 1 1 7 7995 1 1 45 HIS HD1 H -2.452 -5.239 11.233 1.00 . A A . 45 HIS HD1 1 1 7 7996 1 1 45 HIS HD2 H -0.372 -3.895 7.837 1.00 . A A . 45 HIS HD2 1 1 7 7997 1 1 45 HIS HE1 H -1.082 -7.206 10.391 1.00 . A A . 45 HIS HE1 1 1 7 7998 1 1 45 HIS N N -1.751 -1.176 7.956 1.00 . A A . 45 HIS N 1 1 7 7999 1 1 45 HIS ND1 N -1.869 -5.218 10.410 1.00 . A A . 45 HIS ND1 1 1 7 8000 1 1 45 HIS NE2 N -0.445 -5.867 8.842 1.00 . A A . 45 HIS NE2 1 1 7 8001 1 1 45 HIS O O -5.080 -2.147 8.854 1.00 . A A . 45 HIS O 1 1 7 8002 1 1 46 LYS C C -5.136 2.107 8.740 1.00 . A A . 46 LYS C 1 1 7 8003 1 1 46 LYS CA C -5.387 0.611 8.913 1.00 . A A . 46 LYS CA 1 1 7 8004 1 1 46 LYS CB C -6.042 0.317 10.277 1.00 . A A . 46 LYS CB 1 1 7 8005 1 1 46 LYS CD C -8.295 1.285 9.590 1.00 . A A . 46 LYS CD 1 1 7 8006 1 1 46 LYS CE C -9.815 1.128 9.721 1.00 . A A . 46 LYS CE 1 1 7 8007 1 1 46 LYS CG C -7.544 0.055 10.124 1.00 . A A . 46 LYS CG 1 1 7 8008 1 1 46 LYS H H -3.308 0.434 8.532 1.00 . A A . 46 LYS H 1 1 7 8009 1 1 46 LYS HA H -6.041 0.259 8.114 1.00 . A A . 46 LYS HA 1 1 7 8010 1 1 46 LYS HB2 H -5.600 -0.566 10.739 1.00 . A A . 46 LYS HB2 1 1 7 8011 1 1 46 LYS HB3 H -5.886 1.144 10.969 1.00 . A A . 46 LYS HB3 1 1 7 8012 1 1 46 LYS HD2 H -7.960 2.189 10.106 1.00 . A A . 46 LYS HD2 1 1 7 8013 1 1 46 LYS HD3 H -8.063 1.407 8.531 1.00 . A A . 46 LYS HD3 1 1 7 8014 1 1 46 LYS HE2 H -10.296 1.898 9.113 1.00 . A A . 46 LYS HE2 1 1 7 8015 1 1 46 LYS HE3 H -10.115 0.152 9.330 1.00 . A A . 46 LYS HE3 1 1 7 8016 1 1 46 LYS HG2 H -7.677 -0.778 9.431 1.00 . A A . 46 LYS HG2 1 1 7 8017 1 1 46 LYS HG3 H -7.915 -0.239 11.105 1.00 . A A . 46 LYS HG3 1 1 7 8018 1 1 46 LYS HZ1 H -10.034 2.197 11.462 1.00 . A A . 46 LYS HZ1 1 1 7 8019 1 1 46 LYS HZ2 H -11.280 1.168 11.164 1.00 . A A . 46 LYS HZ2 1 1 7 8020 1 1 46 LYS HZ3 H -9.844 0.582 11.710 1.00 . A A . 46 LYS HZ3 1 1 7 8021 1 1 46 LYS N N -4.139 -0.111 8.751 1.00 . A A . 46 LYS N 1 1 7 8022 1 1 46 LYS NZ N -10.276 1.277 11.117 1.00 . A A . 46 LYS NZ 1 1 7 8023 1 1 46 LYS O O -4.476 2.709 9.580 1.00 . A A . 46 LYS O 1 1 7 8024 1 1 47 ASP C C -4.650 4.262 6.090 1.00 . A A . 47 ASP C 1 1 7 8025 1 1 47 ASP CA C -5.656 4.055 7.223 1.00 . A A . 47 ASP CA 1 1 7 8026 1 1 47 ASP CB C -5.519 5.055 8.383 1.00 . A A . 47 ASP CB 1 1 7 8027 1 1 47 ASP CG C -5.957 6.459 7.989 1.00 . A A . 47 ASP CG 1 1 7 8028 1 1 47 ASP H H -6.150 2.039 7.011 1.00 . A A . 47 ASP H 1 1 7 8029 1 1 47 ASP HA H -6.628 4.204 6.762 1.00 . A A . 47 ASP HA 1 1 7 8030 1 1 47 ASP HB2 H -6.152 4.748 9.213 1.00 . A A . 47 ASP HB2 1 1 7 8031 1 1 47 ASP HB3 H -4.482 5.095 8.717 1.00 . A A . 47 ASP HB3 1 1 7 8032 1 1 47 ASP N N -5.681 2.662 7.655 1.00 . A A . 47 ASP N 1 1 7 8033 1 1 47 ASP O O -4.020 5.308 5.969 1.00 . A A . 47 ASP O 1 1 7 8034 1 1 47 ASP OD1 O -7.012 6.554 7.323 1.00 . A A . 47 ASP OD1 1 1 7 8035 1 1 47 ASP OD2 O -5.268 7.410 8.415 1.00 . A A . 47 ASP OD2 1 1 7 8036 1 1 48 ALA C C -4.213 2.103 3.123 1.00 . A A . 48 ALA C 1 1 7 8037 1 1 48 ALA CA C -3.827 3.324 3.960 1.00 . A A . 48 ALA CA 1 1 7 8038 1 1 48 ALA CB C -2.323 3.432 4.210 1.00 . A A . 48 ALA CB 1 1 7 8039 1 1 48 ALA H H -4.938 2.360 5.468 1.00 . A A . 48 ALA H 1 1 7 8040 1 1 48 ALA HA H -4.155 4.216 3.422 1.00 . A A . 48 ALA HA 1 1 7 8041 1 1 48 ALA HB1 H -1.768 3.295 3.282 1.00 . A A . 48 ALA HB1 1 1 7 8042 1 1 48 ALA HB2 H -2.089 4.412 4.621 1.00 . A A . 48 ALA HB2 1 1 7 8043 1 1 48 ALA HB3 H -2.042 2.678 4.938 1.00 . A A . 48 ALA HB3 1 1 7 8044 1 1 48 ALA N N -4.525 3.246 5.228 1.00 . A A . 48 ALA N 1 1 7 8045 1 1 48 ALA O O -5.270 2.099 2.497 1.00 . A A . 48 ALA O 1 1 7 8046 1 1 49 CYS C C -4.870 -0.797 2.560 1.00 . A A . 49 CYS C 1 1 7 8047 1 1 49 CYS CA C -3.545 -0.095 2.246 1.00 . A A . 49 CYS CA 1 1 7 8048 1 1 49 CYS CB C -2.377 -1.047 2.383 1.00 . A A . 49 CYS CB 1 1 7 8049 1 1 49 CYS H H -2.584 1.078 3.735 1.00 . A A . 49 CYS H 1 1 7 8050 1 1 49 CYS HA H -3.584 0.260 1.216 1.00 . A A . 49 CYS HA 1 1 7 8051 1 1 49 CYS HB2 H -2.504 -1.610 3.295 1.00 . A A . 49 CYS HB2 1 1 7 8052 1 1 49 CYS HB3 H -2.395 -1.768 1.569 1.00 . A A . 49 CYS HB3 1 1 7 8053 1 1 49 CYS N N -3.386 1.055 3.128 1.00 . A A . 49 CYS N 1 1 7 8054 1 1 49 CYS O O -5.795 -0.820 1.741 1.00 . A A . 49 CYS O 1 1 7 8055 1 1 49 CYS SG S -0.729 -0.279 2.577 1.00 . A A . 49 CYS SG 1 1 7 8056 1 1 50 LYS C C -7.312 -1.068 4.598 1.00 . A A . 50 LYS C 1 1 7 8057 1 1 50 LYS CA C -6.166 -2.041 4.271 1.00 . A A . 50 LYS CA 1 1 7 8058 1 1 50 LYS CB C -5.731 -2.863 5.494 1.00 . A A . 50 LYS CB 1 1 7 8059 1 1 50 LYS CD C -6.195 -4.719 7.120 1.00 . A A . 50 LYS CD 1 1 7 8060 1 1 50 LYS CE C -6.992 -4.249 8.344 1.00 . A A . 50 LYS CE 1 1 7 8061 1 1 50 LYS CG C -6.661 -4.042 5.817 1.00 . A A . 50 LYS CG 1 1 7 8062 1 1 50 LYS H H -4.204 -1.244 4.425 1.00 . A A . 50 LYS H 1 1 7 8063 1 1 50 LYS HA H -6.496 -2.724 3.486 1.00 . A A . 50 LYS HA 1 1 7 8064 1 1 50 LYS HB2 H -4.740 -3.277 5.298 1.00 . A A . 50 LYS HB2 1 1 7 8065 1 1 50 LYS HB3 H -5.655 -2.196 6.353 1.00 . A A . 50 LYS HB3 1 1 7 8066 1 1 50 LYS HD2 H -6.253 -5.804 7.037 1.00 . A A . 50 LYS HD2 1 1 7 8067 1 1 50 LYS HD3 H -5.142 -4.474 7.284 1.00 . A A . 50 LYS HD3 1 1 7 8068 1 1 50 LYS HE2 H -6.391 -4.431 9.239 1.00 . A A . 50 LYS HE2 1 1 7 8069 1 1 50 LYS HE3 H -7.184 -3.178 8.268 1.00 . A A . 50 LYS HE3 1 1 7 8070 1 1 50 LYS HG2 H -7.692 -3.698 5.897 1.00 . A A . 50 LYS HG2 1 1 7 8071 1 1 50 LYS HG3 H -6.594 -4.748 4.989 1.00 . A A . 50 LYS HG3 1 1 7 8072 1 1 50 LYS HZ1 H -8.749 -4.630 9.321 1.00 . A A . 50 LYS HZ1 1 1 7 8073 1 1 50 LYS HZ2 H -8.863 -4.783 7.686 1.00 . A A . 50 LYS HZ2 1 1 7 8074 1 1 50 LYS HZ3 H -8.116 -5.952 8.581 1.00 . A A . 50 LYS HZ3 1 1 7 8075 1 1 50 LYS N N -4.995 -1.315 3.790 1.00 . A A . 50 LYS N 1 1 7 8076 1 1 50 LYS NZ N -8.278 -4.958 8.490 1.00 . A A . 50 LYS NZ 1 1 7 8077 1 1 50 LYS O O -7.929 -1.143 5.664 1.00 . A A . 50 LYS O 1 1 7 8078 1 1 51 THR C C -8.931 1.404 2.416 1.00 . A A . 51 THR C 1 1 7 8079 1 1 51 THR CA C -8.571 0.935 3.824 1.00 . A A . 51 THR CA 1 1 7 8080 1 1 51 THR CB C -8.018 2.077 4.698 1.00 . A A . 51 THR CB 1 1 7 8081 1 1 51 THR CG2 C -9.095 3.122 5.001 1.00 . A A . 51 THR CG2 1 1 7 8082 1 1 51 THR H H -7.057 -0.154 2.834 1.00 . A A . 51 THR H 1 1 7 8083 1 1 51 THR HA H -9.470 0.530 4.292 1.00 . A A . 51 THR HA 1 1 7 8084 1 1 51 THR HB H -7.189 2.574 4.192 1.00 . A A . 51 THR HB 1 1 7 8085 1 1 51 THR HG1 H -7.935 0.665 6.018 1.00 . A A . 51 THR HG1 1 1 7 8086 1 1 51 THR HG21 H -9.936 2.660 5.517 1.00 . A A . 51 THR HG21 1 1 7 8087 1 1 51 THR HG22 H -8.677 3.906 5.633 1.00 . A A . 51 THR HG22 1 1 7 8088 1 1 51 THR HG23 H -9.447 3.580 4.075 1.00 . A A . 51 THR HG23 1 1 7 8089 1 1 51 THR N N -7.587 -0.128 3.696 1.00 . A A . 51 THR N 1 1 7 8090 1 1 51 THR O O -10.099 1.378 2.038 1.00 . A A . 51 THR O 1 1 7 8091 1 1 51 THR OG1 O -7.547 1.545 5.920 1.00 . A A . 51 THR OG1 1 1 7 8092 1 1 52 CYS C C -8.562 1.071 -0.634 1.00 . A A . 52 CYS C 1 1 7 8093 1 1 52 CYS CA C -8.084 2.222 0.247 1.00 . A A . 52 CYS CA 1 1 7 8094 1 1 52 CYS CB C -6.773 2.769 -0.235 1.00 . A A . 52 CYS CB 1 1 7 8095 1 1 52 CYS H H -6.978 1.796 2.000 1.00 . A A . 52 CYS H 1 1 7 8096 1 1 52 CYS HA H -8.827 3.020 0.216 1.00 . A A . 52 CYS HA 1 1 7 8097 1 1 52 CYS HB2 H -6.373 3.419 0.544 1.00 . A A . 52 CYS HB2 1 1 7 8098 1 1 52 CYS HB3 H -6.071 1.954 -0.402 1.00 . A A . 52 CYS HB3 1 1 7 8099 1 1 52 CYS N N -7.923 1.791 1.629 1.00 . A A . 52 CYS N 1 1 7 8100 1 1 52 CYS O O -9.275 1.284 -1.611 1.00 . A A . 52 CYS O 1 1 7 8101 1 1 52 CYS SG S -6.969 3.836 -1.690 1.00 . A A . 52 CYS SG 1 1 7 8102 1 1 53 HIS C C -10.177 -1.661 -0.935 1.00 . A A . 53 HIS C 1 1 7 8103 1 1 53 HIS CA C -8.651 -1.375 -0.981 1.00 . A A . 53 HIS CA 1 1 7 8104 1 1 53 HIS CB C -7.840 -2.559 -0.432 1.00 . A A . 53 HIS CB 1 1 7 8105 1 1 53 HIS CD2 C -5.695 -1.795 -1.657 1.00 . A A . 53 HIS CD2 1 1 7 8106 1 1 53 HIS CE1 C -4.683 -3.721 -1.792 1.00 . A A . 53 HIS CE1 1 1 7 8107 1 1 53 HIS CG C -6.438 -2.713 -0.967 1.00 . A A . 53 HIS CG 1 1 7 8108 1 1 53 HIS H H -7.562 -0.278 0.488 1.00 . A A . 53 HIS H 1 1 7 8109 1 1 53 HIS HA H -8.387 -1.254 -2.029 1.00 . A A . 53 HIS HA 1 1 7 8110 1 1 53 HIS HB2 H -7.801 -2.521 0.656 1.00 . A A . 53 HIS HB2 1 1 7 8111 1 1 53 HIS HB3 H -8.349 -3.479 -0.705 1.00 . A A . 53 HIS HB3 1 1 7 8112 1 1 53 HIS HD1 H -6.174 -4.814 -0.780 1.00 . A A . 53 HIS HD1 1 1 7 8113 1 1 53 HIS HD2 H -5.939 -0.768 -1.830 1.00 . A A . 53 HIS HD2 1 1 7 8114 1 1 53 HIS HE1 H -4.012 -4.506 -2.089 1.00 . A A . 53 HIS HE1 1 1 7 8115 1 1 53 HIS N N -8.229 -0.172 -0.269 1.00 . A A . 53 HIS N 1 1 7 8116 1 1 53 HIS ND1 N -5.783 -3.912 -1.048 1.00 . A A . 53 HIS ND1 1 1 7 8117 1 1 53 HIS NE2 N -4.580 -2.446 -2.194 1.00 . A A . 53 HIS NE2 1 1 7 8118 1 1 53 HIS O O -10.584 -2.824 -0.943 1.00 . A A . 53 HIS O 1 1 7 8119 1 1 54 LYS C C -13.020 -1.575 -2.057 1.00 . A A . 54 LYS C 1 1 7 8120 1 1 54 LYS CA C -12.487 -0.706 -0.917 1.00 . A A . 54 LYS CA 1 1 7 8121 1 1 54 LYS CB C -13.090 0.698 -0.994 1.00 . A A . 54 LYS CB 1 1 7 8122 1 1 54 LYS CD C -13.075 1.163 1.537 1.00 . A A . 54 LYS CD 1 1 7 8123 1 1 54 LYS CE C -14.602 1.093 1.715 1.00 . A A . 54 LYS CE 1 1 7 8124 1 1 54 LYS CG C -12.666 1.631 0.137 1.00 . A A . 54 LYS CG 1 1 7 8125 1 1 54 LYS H H -10.636 0.291 -1.009 1.00 . A A . 54 LYS H 1 1 7 8126 1 1 54 LYS HA H -12.818 -1.111 0.031 1.00 . A A . 54 LYS HA 1 1 7 8127 1 1 54 LYS HB2 H -12.806 1.164 -1.938 1.00 . A A . 54 LYS HB2 1 1 7 8128 1 1 54 LYS HB3 H -14.172 0.608 -0.961 1.00 . A A . 54 LYS HB3 1 1 7 8129 1 1 54 LYS HD2 H -12.610 0.197 1.719 1.00 . A A . 54 LYS HD2 1 1 7 8130 1 1 54 LYS HD3 H -12.650 1.879 2.240 1.00 . A A . 54 LYS HD3 1 1 7 8131 1 1 54 LYS HE2 H -15.041 2.045 1.416 1.00 . A A . 54 LYS HE2 1 1 7 8132 1 1 54 LYS HE3 H -15.015 0.306 1.082 1.00 . A A . 54 LYS HE3 1 1 7 8133 1 1 54 LYS HG2 H -11.589 1.786 0.096 1.00 . A A . 54 LYS HG2 1 1 7 8134 1 1 54 LYS HG3 H -13.141 2.583 -0.057 1.00 . A A . 54 LYS HG3 1 1 7 8135 1 1 54 LYS HZ1 H -15.998 0.784 3.186 1.00 . A A . 54 LYS HZ1 1 1 7 8136 1 1 54 LYS HZ2 H -14.618 -0.082 3.405 1.00 . A A . 54 LYS HZ2 1 1 7 8137 1 1 54 LYS HZ3 H -14.639 1.536 3.724 1.00 . A A . 54 LYS HZ3 1 1 7 8138 1 1 54 LYS N N -11.032 -0.632 -0.926 1.00 . A A . 54 LYS N 1 1 7 8139 1 1 54 LYS NZ N -14.989 0.811 3.113 1.00 . A A . 54 LYS NZ 1 1 7 8140 1 1 54 LYS O O -13.273 -1.090 -3.155 1.00 . A A . 54 LYS O 1 1 7 8141 1 1 55 SER C C -12.716 -4.038 -3.888 1.00 . A A . 55 SER C 1 1 7 8142 1 1 55 SER CA C -13.698 -3.854 -2.727 1.00 . A A . 55 SER CA 1 1 7 8143 1 1 55 SER CB C -15.111 -3.496 -3.221 1.00 . A A . 55 SER CB 1 1 7 8144 1 1 55 SER H H -12.835 -3.194 -0.897 1.00 . A A . 55 SER H 1 1 7 8145 1 1 55 SER HA H -13.762 -4.805 -2.198 1.00 . A A . 55 SER HA 1 1 7 8146 1 1 55 SER HB2 H -15.763 -3.276 -2.375 1.00 . A A . 55 SER HB2 1 1 7 8147 1 1 55 SER HB3 H -15.077 -2.628 -3.882 1.00 . A A . 55 SER HB3 1 1 7 8148 1 1 55 SER HG H -15.042 -4.782 -4.663 1.00 . A A . 55 SER HG 1 1 7 8149 1 1 55 SER N N -13.214 -2.864 -1.774 1.00 . A A . 55 SER N 1 1 7 8150 1 1 55 SER O O -13.144 -4.410 -4.980 1.00 . A A . 55 SER O 1 1 7 8151 1 1 55 SER OG O -15.657 -4.581 -3.943 1.00 . A A . 55 SER OG 1 1 7 8152 1 1 56 ASN C C -9.840 -5.490 -4.315 1.00 . A A . 56 ASN C 1 1 7 8153 1 1 56 ASN CA C -10.375 -4.096 -4.626 1.00 . A A . 56 ASN CA 1 1 7 8154 1 1 56 ASN CB C -9.308 -2.990 -4.622 1.00 . A A . 56 ASN CB 1 1 7 8155 1 1 56 ASN CG C -9.866 -1.685 -5.194 1.00 . A A . 56 ASN CG 1 1 7 8156 1 1 56 ASN H H -11.145 -3.529 -2.710 1.00 . A A . 56 ASN H 1 1 7 8157 1 1 56 ASN HA H -10.796 -4.141 -5.633 1.00 . A A . 56 ASN HA 1 1 7 8158 1 1 56 ASN HB2 H -8.935 -2.835 -3.612 1.00 . A A . 56 ASN HB2 1 1 7 8159 1 1 56 ASN HB3 H -8.477 -3.304 -5.255 1.00 . A A . 56 ASN HB3 1 1 7 8160 1 1 56 ASN HD21 H -9.177 -0.509 -3.648 1.00 . A A . 56 ASN HD21 1 1 7 8161 1 1 56 ASN HD22 H -10.113 0.283 -4.885 1.00 . A A . 56 ASN HD22 1 1 7 8162 1 1 56 ASN N N -11.420 -3.809 -3.647 1.00 . A A . 56 ASN N 1 1 7 8163 1 1 56 ASN ND2 N -9.685 -0.553 -4.515 1.00 . A A . 56 ASN ND2 1 1 7 8164 1 1 56 ASN O O -10.267 -6.465 -4.928 1.00 . A A . 56 ASN O 1 1 7 8165 1 1 56 ASN OD1 O -10.461 -1.678 -6.266 1.00 . A A . 56 ASN OD1 1 1 7 8166 1 1 57 ASN C C -8.517 -6.594 -1.147 1.00 . A A . 57 ASN C 1 1 7 8167 1 1 57 ASN CA C -8.749 -6.888 -2.626 1.00 . A A . 57 ASN CA 1 1 7 8168 1 1 57 ASN CB C -7.567 -7.649 -3.247 1.00 . A A . 57 ASN CB 1 1 7 8169 1 1 57 ASN CG C -7.432 -9.041 -2.624 1.00 . A A . 57 ASN CG 1 1 7 8170 1 1 57 ASN H H -8.632 -4.788 -2.835 1.00 . A A . 57 ASN H 1 1 7 8171 1 1 57 ASN HA H -9.643 -7.507 -2.726 1.00 . A A . 57 ASN HA 1 1 7 8172 1 1 57 ASN HB2 H -7.731 -7.764 -4.318 1.00 . A A . 57 ASN HB2 1 1 7 8173 1 1 57 ASN HB3 H -6.642 -7.089 -3.090 1.00 . A A . 57 ASN HB3 1 1 7 8174 1 1 57 ASN HD21 H -5.925 -9.598 -3.913 1.00 . A A . 57 ASN HD21 1 1 7 8175 1 1 57 ASN HD22 H -6.378 -10.766 -2.690 1.00 . A A . 57 ASN HD22 1 1 7 8176 1 1 57 ASN N N -8.988 -5.614 -3.293 1.00 . A A . 57 ASN N 1 1 7 8177 1 1 57 ASN ND2 N -6.486 -9.847 -3.083 1.00 . A A . 57 ASN ND2 1 1 7 8178 1 1 57 ASN O O -7.638 -5.803 -0.812 1.00 . A A . 57 ASN O 1 1 7 8179 1 1 57 ASN OD1 O -8.197 -9.406 -1.735 1.00 . A A . 57 ASN OD1 1 1 7 8180 1 1 58 GLY C C -8.033 -7.626 1.781 1.00 . A A . 58 GLY C 1 1 7 8181 1 1 58 GLY CA C -9.252 -6.923 1.168 1.00 . A A . 58 GLY CA 1 1 7 8182 1 1 58 GLY H H -9.992 -7.854 -0.602 1.00 . A A . 58 GLY H 1 1 7 8183 1 1 58 GLY HA2 H -9.185 -5.852 1.365 1.00 . A A . 58 GLY HA2 1 1 7 8184 1 1 58 GLY HA3 H -10.169 -7.306 1.614 1.00 . A A . 58 GLY HA3 1 1 7 8185 1 1 58 GLY N N -9.341 -7.160 -0.264 1.00 . A A . 58 GLY N 1 1 7 8186 1 1 58 GLY O O -7.064 -7.918 1.088 1.00 . A A . 58 GLY O 1 1 7 8187 1 1 59 PRO C C -6.988 -10.092 3.686 1.00 . A A . 59 PRO C 1 1 7 8188 1 1 59 PRO CA C -6.955 -8.566 3.774 1.00 . A A . 59 PRO CA 1 1 7 8189 1 1 59 PRO CB C -7.042 -8.062 5.212 1.00 . A A . 59 PRO CB 1 1 7 8190 1 1 59 PRO CD C -9.055 -7.443 4.043 1.00 . A A . 59 PRO CD 1 1 7 8191 1 1 59 PRO CG C -8.544 -7.868 5.423 1.00 . A A . 59 PRO CG 1 1 7 8192 1 1 59 PRO HA H -6.001 -8.268 3.346 1.00 . A A . 59 PRO HA 1 1 7 8193 1 1 59 PRO HB2 H -6.595 -8.742 5.938 1.00 . A A . 59 PRO HB2 1 1 7 8194 1 1 59 PRO HB3 H -6.537 -7.099 5.247 1.00 . A A . 59 PRO HB3 1 1 7 8195 1 1 59 PRO HD2 H -10.036 -7.881 3.858 1.00 . A A . 59 PRO HD2 1 1 7 8196 1 1 59 PRO HD3 H -9.116 -6.355 3.992 1.00 . A A . 59 PRO HD3 1 1 7 8197 1 1 59 PRO HG2 H -8.993 -8.824 5.699 1.00 . A A . 59 PRO HG2 1 1 7 8198 1 1 59 PRO HG3 H -8.761 -7.120 6.186 1.00 . A A . 59 PRO HG3 1 1 7 8199 1 1 59 PRO N N -8.062 -7.915 3.091 1.00 . A A . 59 PRO N 1 1 7 8200 1 1 59 PRO O O -6.134 -10.735 4.284 1.00 . A A . 59 PRO O 1 1 7 8201 1 1 60 THR C C -7.883 -13.171 3.514 1.00 . A A . 60 THR C 1 1 7 8202 1 1 60 THR CA C -7.961 -12.053 2.458 1.00 . A A . 60 THR CA 1 1 7 8203 1 1 60 THR CB C -6.984 -12.230 1.267 1.00 . A A . 60 THR CB 1 1 7 8204 1 1 60 THR CG2 C -6.480 -10.928 0.643 1.00 . A A . 60 THR CG2 1 1 7 8205 1 1 60 THR H H -8.695 -10.099 2.619 1.00 . A A . 60 THR H 1 1 7 8206 1 1 60 THR HA H -8.958 -12.160 2.026 1.00 . A A . 60 THR HA 1 1 7 8207 1 1 60 THR HB H -7.518 -12.779 0.490 1.00 . A A . 60 THR HB 1 1 7 8208 1 1 60 THR HG1 H -5.410 -12.647 2.357 1.00 . A A . 60 THR HG1 1 1 7 8209 1 1 60 THR HG21 H -5.931 -11.152 -0.272 1.00 . A A . 60 THR HG21 1 1 7 8210 1 1 60 THR HG22 H -7.326 -10.294 0.395 1.00 . A A . 60 THR HG22 1 1 7 8211 1 1 60 THR HG23 H -5.805 -10.403 1.319 1.00 . A A . 60 THR HG23 1 1 7 8212 1 1 60 THR N N -7.958 -10.681 2.975 1.00 . A A . 60 THR N 1 1 7 8213 1 1 60 THR O O -7.934 -14.342 3.154 1.00 . A A . 60 THR O 1 1 7 8214 1 1 60 THR OG1 O -5.846 -12.997 1.569 1.00 . A A . 60 THR OG1 1 1 7 8215 1 1 61 LYS C C -5.950 -13.841 5.989 1.00 . A A . 61 LYS C 1 1 7 8216 1 1 61 LYS CA C -7.477 -13.669 5.934 1.00 . A A . 61 LYS CA 1 1 7 8217 1 1 61 LYS CB C -8.237 -15.011 5.939 1.00 . A A . 61 LYS CB 1 1 7 8218 1 1 61 LYS CD C -10.477 -14.419 7.015 1.00 . A A . 61 LYS CD 1 1 7 8219 1 1 61 LYS CE C -11.996 -14.593 6.852 1.00 . A A . 61 LYS CE 1 1 7 8220 1 1 61 LYS CG C -9.757 -14.888 5.743 1.00 . A A . 61 LYS CG 1 1 7 8221 1 1 61 LYS H H -7.761 -11.821 4.970 1.00 . A A . 61 LYS H 1 1 7 8222 1 1 61 LYS HA H -7.765 -13.132 6.839 1.00 . A A . 61 LYS HA 1 1 7 8223 1 1 61 LYS HB2 H -7.838 -15.656 5.158 1.00 . A A . 61 LYS HB2 1 1 7 8224 1 1 61 LYS HB3 H -8.040 -15.517 6.886 1.00 . A A . 61 LYS HB3 1 1 7 8225 1 1 61 LYS HD2 H -10.128 -15.024 7.855 1.00 . A A . 61 LYS HD2 1 1 7 8226 1 1 61 LYS HD3 H -10.225 -13.374 7.199 1.00 . A A . 61 LYS HD3 1 1 7 8227 1 1 61 LYS HE2 H -12.343 -13.983 6.015 1.00 . A A . 61 LYS HE2 1 1 7 8228 1 1 61 LYS HE3 H -12.215 -15.639 6.628 1.00 . A A . 61 LYS HE3 1 1 7 8229 1 1 61 LYS HG2 H -9.984 -14.218 4.909 1.00 . A A . 61 LYS HG2 1 1 7 8230 1 1 61 LYS HG3 H -10.118 -15.883 5.476 1.00 . A A . 61 LYS HG3 1 1 7 8231 1 1 61 LYS HZ1 H -12.440 -14.779 8.856 1.00 . A A . 61 LYS HZ1 1 1 7 8232 1 1 61 LYS HZ2 H -12.592 -13.238 8.288 1.00 . A A . 61 LYS HZ2 1 1 7 8233 1 1 61 LYS HZ3 H -13.730 -14.367 7.928 1.00 . A A . 61 LYS HZ3 1 1 7 8234 1 1 61 LYS N N -7.825 -12.812 4.803 1.00 . A A . 61 LYS N 1 1 7 8235 1 1 61 LYS NZ N -12.741 -14.214 8.072 1.00 . A A . 61 LYS NZ 1 1 7 8236 1 1 61 LYS O O -5.454 -14.957 6.119 1.00 . A A . 61 LYS O 1 1 7 8237 1 1 62 CYS C C -3.293 -12.944 4.454 1.00 . A A . 62 CYS C 1 1 7 8238 1 1 62 CYS CA C -3.770 -12.606 5.866 1.00 . A A . 62 CYS CA 1 1 7 8239 1 1 62 CYS CB C -3.114 -13.419 6.943 1.00 . A A . 62 CYS CB 1 1 7 8240 1 1 62 CYS H H -5.711 -11.865 5.671 1.00 . A A . 62 CYS H 1 1 7 8241 1 1 62 CYS HA H -3.562 -11.562 6.054 1.00 . A A . 62 CYS HA 1 1 7 8242 1 1 62 CYS HB2 H -3.805 -13.447 7.772 1.00 . A A . 62 CYS HB2 1 1 7 8243 1 1 62 CYS HB3 H -2.936 -14.410 6.546 1.00 . A A . 62 CYS HB3 1 1 7 8244 1 1 62 CYS N N -5.224 -12.715 5.925 1.00 . A A . 62 CYS N 1 1 7 8245 1 1 62 CYS O O -4.099 -12.882 3.533 1.00 . A A . 62 CYS O 1 1 7 8246 1 1 62 CYS SG S -1.548 -12.735 7.548 1.00 . A A . 62 CYS SG 1 1 7 8247 1 1 63 GLY C C -1.305 -12.540 1.954 1.00 . A A . 63 GLY C 1 1 7 8248 1 1 63 GLY CA C -1.494 -13.693 2.946 1.00 . A A . 63 GLY CA 1 1 7 8249 1 1 63 GLY H H -1.371 -13.276 5.024 1.00 . A A . 63 GLY H 1 1 7 8250 1 1 63 GLY HA2 H -0.533 -14.183 3.103 1.00 . A A . 63 GLY HA2 1 1 7 8251 1 1 63 GLY HA3 H -2.180 -14.420 2.509 1.00 . A A . 63 GLY HA3 1 1 7 8252 1 1 63 GLY N N -2.008 -13.250 4.241 1.00 . A A . 63 GLY N 1 1 7 8253 1 1 63 GLY O O -0.230 -12.381 1.388 1.00 . A A . 63 GLY O 1 1 7 8254 1 1 64 GLY C C -1.204 -9.973 0.379 1.00 . A A . 64 GLY C 1 1 7 8255 1 1 64 GLY CA C -2.505 -10.641 0.820 1.00 . A A . 64 GLY CA 1 1 7 8256 1 1 64 GLY H H -3.193 -11.996 2.268 1.00 . A A . 64 GLY H 1 1 7 8257 1 1 64 GLY HA2 H -3.058 -10.988 -0.052 1.00 . A A . 64 GLY HA2 1 1 7 8258 1 1 64 GLY HA3 H -3.101 -9.890 1.343 1.00 . A A . 64 GLY HA3 1 1 7 8259 1 1 64 GLY N N -2.358 -11.742 1.760 1.00 . A A . 64 GLY N 1 1 7 8260 1 1 64 GLY O O -0.933 -9.833 -0.811 1.00 . A A . 64 GLY O 1 1 7 8261 1 1 65 CYS C C 1.925 -8.964 1.623 1.00 . A A . 65 CYS C 1 1 7 8262 1 1 65 CYS CA C 0.556 -8.448 1.177 1.00 . A A . 65 CYS CA 1 1 7 8263 1 1 65 CYS CB C 0.116 -7.238 1.962 1.00 . A A . 65 CYS CB 1 1 7 8264 1 1 65 CYS H H -0.777 -9.652 2.300 1.00 . A A . 65 CYS H 1 1 7 8265 1 1 65 CYS HA H 0.625 -8.167 0.124 1.00 . A A . 65 CYS HA 1 1 7 8266 1 1 65 CYS HB2 H 0.307 -7.455 3.008 1.00 . A A . 65 CYS HB2 1 1 7 8267 1 1 65 CYS HB3 H 0.694 -6.359 1.673 1.00 . A A . 65 CYS HB3 1 1 7 8268 1 1 65 CYS N N -0.452 -9.482 1.363 1.00 . A A . 65 CYS N 1 1 7 8269 1 1 65 CYS O O 2.936 -8.693 0.979 1.00 . A A . 65 CYS O 1 1 7 8270 1 1 65 CYS SG S -1.670 -6.951 1.671 1.00 . A A . 65 CYS SG 1 1 7 8271 1 1 66 HIS C C 3.243 -11.726 2.352 1.00 . A A . 66 HIS C 1 1 7 8272 1 1 66 HIS CA C 3.146 -10.436 3.156 1.00 . A A . 66 HIS CA 1 1 7 8273 1 1 66 HIS CB C 3.042 -10.791 4.643 1.00 . A A . 66 HIS CB 1 1 7 8274 1 1 66 HIS CD2 C 1.852 -9.214 6.234 1.00 . A A . 66 HIS CD2 1 1 7 8275 1 1 66 HIS CE1 C 3.385 -7.683 6.497 1.00 . A A . 66 HIS CE1 1 1 7 8276 1 1 66 HIS CG C 2.955 -9.591 5.530 1.00 . A A . 66 HIS CG 1 1 7 8277 1 1 66 HIS H H 1.085 -9.950 3.170 1.00 . A A . 66 HIS H 1 1 7 8278 1 1 66 HIS HA H 4.040 -9.823 3.027 1.00 . A A . 66 HIS HA 1 1 7 8279 1 1 66 HIS HB2 H 2.168 -11.424 4.803 1.00 . A A . 66 HIS HB2 1 1 7 8280 1 1 66 HIS HB3 H 3.913 -11.377 4.934 1.00 . A A . 66 HIS HB3 1 1 7 8281 1 1 66 HIS HD1 H 4.812 -8.572 5.207 1.00 . A A . 66 HIS HD1 1 1 7 8282 1 1 66 HIS HD2 H 0.906 -9.713 6.300 1.00 . A A . 66 HIS HD2 1 1 7 8283 1 1 66 HIS HE1 H 3.873 -6.772 6.802 1.00 . A A . 66 HIS HE1 1 1 7 8284 1 1 66 HIS N N 1.957 -9.725 2.721 1.00 . A A . 66 HIS N 1 1 7 8285 1 1 66 HIS ND1 N 3.917 -8.625 5.692 1.00 . A A . 66 HIS ND1 1 1 7 8286 1 1 66 HIS NE2 N 2.122 -7.997 6.837 1.00 . A A . 66 HIS NE2 1 1 7 8287 1 1 66 HIS O O 2.539 -12.678 2.680 1.00 . A A . 66 HIS O 1 1 7 8288 1 1 67 ILE C C 5.099 -13.930 1.825 1.00 . A A . 67 ILE C 1 1 7 8289 1 1 67 ILE CA C 4.455 -13.068 0.738 1.00 . A A . 67 ILE CA 1 1 7 8290 1 1 67 ILE CB C 5.371 -12.894 -0.491 1.00 . A A . 67 ILE CB 1 1 7 8291 1 1 67 ILE CD1 C 4.915 -10.561 -1.456 1.00 . A A . 67 ILE CD1 1 1 7 8292 1 1 67 ILE CG1 C 4.705 -12.069 -1.608 1.00 . A A . 67 ILE CG1 1 1 7 8293 1 1 67 ILE CG2 C 5.712 -14.276 -1.075 1.00 . A A . 67 ILE CG2 1 1 7 8294 1 1 67 ILE H H 4.677 -10.975 1.122 1.00 . A A . 67 ILE H 1 1 7 8295 1 1 67 ILE HA H 3.529 -13.542 0.403 1.00 . A A . 67 ILE HA 1 1 7 8296 1 1 67 ILE HB H 6.306 -12.418 -0.193 1.00 . A A . 67 ILE HB 1 1 7 8297 1 1 67 ILE HD11 H 4.338 -10.165 -0.627 1.00 . A A . 67 ILE HD11 1 1 7 8298 1 1 67 ILE HD12 H 5.973 -10.353 -1.303 1.00 . A A . 67 ILE HD12 1 1 7 8299 1 1 67 ILE HD13 H 4.583 -10.068 -2.369 1.00 . A A . 67 ILE HD13 1 1 7 8300 1 1 67 ILE HG12 H 5.152 -12.340 -2.565 1.00 . A A . 67 ILE HG12 1 1 7 8301 1 1 67 ILE HG13 H 3.637 -12.287 -1.658 1.00 . A A . 67 ILE HG13 1 1 7 8302 1 1 67 ILE HG21 H 6.367 -14.162 -1.939 1.00 . A A . 67 ILE HG21 1 1 7 8303 1 1 67 ILE HG22 H 6.233 -14.892 -0.342 1.00 . A A . 67 ILE HG22 1 1 7 8304 1 1 67 ILE HG23 H 4.800 -14.785 -1.385 1.00 . A A . 67 ILE HG23 1 1 7 8305 1 1 67 ILE N N 4.132 -11.792 1.359 1.00 . A A . 67 ILE N 1 1 7 8306 1 1 67 ILE O O 6.256 -13.708 2.183 1.00 . A A . 67 ILE O 1 1 7 8307 1 1 68 LYS C C 3.802 -16.928 3.465 1.00 . A A . 68 LYS C 1 1 7 8308 1 1 68 LYS CA C 4.728 -15.713 3.488 1.00 . A A . 68 LYS CA 1 1 7 8309 1 1 68 LYS CB C 4.598 -14.919 4.798 1.00 . A A . 68 LYS CB 1 1 7 8310 1 1 68 LYS CD C 6.270 -16.409 5.984 1.00 . A A . 68 LYS CD 1 1 7 8311 1 1 68 LYS CE C 6.579 -17.164 7.279 1.00 . A A . 68 LYS CE 1 1 7 8312 1 1 68 LYS CG C 4.892 -15.741 6.061 1.00 . A A . 68 LYS CG 1 1 7 8313 1 1 68 LYS H H 3.365 -14.999 2.106 1.00 . A A . 68 LYS H 1 1 7 8314 1 1 68 LYS HA H 5.755 -16.037 3.323 1.00 . A A . 68 LYS HA 1 1 7 8315 1 1 68 LYS HB2 H 5.282 -14.072 4.760 1.00 . A A . 68 LYS HB2 1 1 7 8316 1 1 68 LYS HB3 H 3.581 -14.531 4.874 1.00 . A A . 68 LYS HB3 1 1 7 8317 1 1 68 LYS HD2 H 6.267 -17.126 5.161 1.00 . A A . 68 LYS HD2 1 1 7 8318 1 1 68 LYS HD3 H 7.024 -15.644 5.791 1.00 . A A . 68 LYS HD3 1 1 7 8319 1 1 68 LYS HE2 H 6.633 -16.455 8.107 1.00 . A A . 68 LYS HE2 1 1 7 8320 1 1 68 LYS HE3 H 5.772 -17.874 7.475 1.00 . A A . 68 LYS HE3 1 1 7 8321 1 1 68 LYS HG2 H 4.853 -15.068 6.918 1.00 . A A . 68 LYS HG2 1 1 7 8322 1 1 68 LYS HG3 H 4.117 -16.502 6.176 1.00 . A A . 68 LYS HG3 1 1 7 8323 1 1 68 LYS HZ1 H 7.795 -18.559 6.402 1.00 . A A . 68 LYS HZ1 1 1 7 8324 1 1 68 LYS HZ2 H 8.608 -17.255 6.995 1.00 . A A . 68 LYS HZ2 1 1 7 8325 1 1 68 LYS HZ3 H 8.033 -18.409 8.024 1.00 . A A . 68 LYS HZ3 1 1 7 8326 1 1 68 LYS N N 4.333 -14.864 2.387 1.00 . A A . 68 LYS N 1 1 7 8327 1 1 68 LYS NZ N 7.851 -17.902 7.169 1.00 . A A . 68 LYS NZ 1 1 7 8328 1 1 68 LYS O O 2.712 -16.783 2.866 1.00 . A A . 68 LYS O 1 1 7 8329 1 1 68 LYS OXT O 4.199 -17.961 4.046 1.00 . A A . 68 LYS OXT 1 1 7 8330 2 2 1 HEC C1A C 7.563 7.917 -3.902 1.00 . B A . 69 HEC C1A 1 1 7 8331 2 2 1 HEC C1B C 5.155 8.821 -7.324 1.00 . B A . 69 HEC C1B 1 1 7 8332 2 2 1 HEC C1C C 2.082 6.261 -5.833 1.00 . B A . 69 HEC C1C 1 1 7 8333 2 2 1 HEC C1D C 4.381 5.586 -2.321 1.00 . B A . 69 HEC C1D 1 1 7 8334 2 2 1 HEC C2A C 8.661 8.787 -4.250 1.00 . B A . 69 HEC C2A 1 1 7 8335 2 2 1 HEC C2B C 4.449 9.249 -8.508 1.00 . B A . 69 HEC C2B 1 1 7 8336 2 2 1 HEC C2C C 0.892 5.575 -5.389 1.00 . B A . 69 HEC C2C 1 1 7 8337 2 2 1 HEC C2D C 5.038 5.221 -1.093 1.00 . B A . 69 HEC C2D 1 1 7 8338 2 2 1 HEC C3A C 8.330 9.396 -5.430 1.00 . B A . 69 HEC C3A 1 1 7 8339 2 2 1 HEC C3B C 3.249 8.576 -8.535 1.00 . B A . 69 HEC C3B 1 1 7 8340 2 2 1 HEC C3C C 1.138 5.113 -4.115 1.00 . B A . 69 HEC C3C 1 1 7 8341 2 2 1 HEC C3D C 6.288 5.774 -1.139 1.00 . B A . 69 HEC C3D 1 1 7 8342 2 2 1 HEC C4A C 7.023 8.910 -5.806 1.00 . B A . 69 HEC C4A 1 1 7 8343 2 2 1 HEC C4B C 3.272 7.636 -7.431 1.00 . B A . 69 HEC C4B 1 1 7 8344 2 2 1 HEC C4C C 2.491 5.510 -3.788 1.00 . B A . 69 HEC C4C 1 1 7 8345 2 2 1 HEC C4D C 6.408 6.462 -2.397 1.00 . B A . 69 HEC C4D 1 1 7 8346 2 2 1 HEC CAA C 9.929 9.023 -3.466 1.00 . B A . 69 HEC CAA 1 1 7 8347 2 2 1 HEC CAB C 1.986 9.057 -9.232 1.00 . B A . 69 HEC CAB 1 1 7 8348 2 2 1 HEC CAC C 0.144 4.452 -3.170 1.00 . B A . 69 HEC CAC 1 1 7 8349 2 2 1 HEC CAD C 7.249 5.851 0.011 1.00 . B A . 69 HEC CAD 1 1 7 8350 2 2 1 HEC CBA C 11.058 8.065 -3.858 1.00 . B A . 69 HEC CBA 1 1 7 8351 2 2 1 HEC CBB C 2.128 9.463 -10.705 1.00 . B A . 69 HEC CBB 1 1 7 8352 2 2 1 HEC CBC C -0.385 3.087 -3.628 1.00 . B A . 69 HEC CBC 1 1 7 8353 2 2 1 HEC CBD C 8.086 4.593 0.233 1.00 . B A . 69 HEC CBD 1 1 7 8354 2 2 1 HEC CGA C 12.354 8.417 -3.124 1.00 . B A . 69 HEC CGA 1 1 7 8355 2 2 1 HEC CGD C 9.033 4.841 1.398 1.00 . B A . 69 HEC CGD 1 1 7 8356 2 2 1 HEC CHA C 7.514 7.181 -2.747 1.00 . B A . 69 HEC CHA 1 1 7 8357 2 2 1 HEC CHB C 6.359 9.346 -6.921 1.00 . B A . 69 HEC CHB 1 1 7 8358 2 2 1 HEC CHC C 2.181 6.877 -7.058 1.00 . B A . 69 HEC CHC 1 1 7 8359 2 2 1 HEC CHD C 3.107 5.206 -2.597 1.00 . B A . 69 HEC CHD 1 1 7 8360 2 2 1 HEC CMA C 9.177 10.402 -6.176 1.00 . B A . 69 HEC CMA 1 1 7 8361 2 2 1 HEC CMB C 4.889 10.319 -9.486 1.00 . B A . 69 HEC CMB 1 1 7 8362 2 2 1 HEC CMC C -0.394 5.465 -6.177 1.00 . B A . 69 HEC CMC 1 1 7 8363 2 2 1 HEC CMD C 4.450 4.407 0.039 1.00 . B A . 69 HEC CMD 1 1 7 8364 2 2 1 HEC FE FE 4.833 7.053 -4.908 1.00 . B A . 69 HEC FE 1 1 7 8365 2 2 1 HEC HAA1 H 10.273 10.045 -3.628 1.00 . B A . 69 HEC HAA1 1 1 7 8366 2 2 1 HEC HAA2 H 9.749 8.916 -2.400 1.00 . B A . 69 HEC HAA2 1 1 7 8367 2 2 1 HEC HAB H 1.241 8.268 -9.227 1.00 . B A . 69 HEC HAB 1 1 7 8368 2 2 1 HEC HAC H 0.600 4.283 -2.200 1.00 . B A . 69 HEC HAC 1 1 7 8369 2 2 1 HEC HAD1 H 7.922 6.694 -0.086 1.00 . B A . 69 HEC HAD1 1 1 7 8370 2 2 1 HEC HAD2 H 6.654 6.038 0.890 1.00 . B A . 69 HEC HAD2 1 1 7 8371 2 2 1 HEC HBA1 H 10.758 7.047 -3.607 1.00 . B A . 69 HEC HBA1 1 1 7 8372 2 2 1 HEC HBA2 H 11.214 8.123 -4.937 1.00 . B A . 69 HEC HBA2 1 1 7 8373 2 2 1 HEC HBB1 H 2.564 10.456 -10.800 1.00 . B A . 69 HEC HBB1 1 1 7 8374 2 2 1 HEC HBB2 H 2.736 8.733 -11.240 1.00 . B A . 69 HEC HBB2 1 1 7 8375 2 2 1 HEC HBB3 H 1.143 9.487 -11.172 1.00 . B A . 69 HEC HBB3 1 1 7 8376 2 2 1 HEC HBC1 H -1.162 3.205 -4.378 1.00 . B A . 69 HEC HBC1 1 1 7 8377 2 2 1 HEC HBC2 H 0.426 2.477 -4.030 1.00 . B A . 69 HEC HBC2 1 1 7 8378 2 2 1 HEC HBC3 H -0.824 2.563 -2.780 1.00 . B A . 69 HEC HBC3 1 1 7 8379 2 2 1 HEC HBD1 H 7.437 3.754 0.469 1.00 . B A . 69 HEC HBD1 1 1 7 8380 2 2 1 HEC HBD2 H 8.650 4.370 -0.673 1.00 . B A . 69 HEC HBD2 1 1 7 8381 2 2 1 HEC HHA H 8.345 7.193 -2.064 1.00 . B A . 69 HEC HHA 1 1 7 8382 2 2 1 HEC HHB H 6.783 10.184 -7.436 1.00 . B A . 69 HEC HHB 1 1 7 8383 2 2 1 HEC HHC H 1.313 6.848 -7.687 1.00 . B A . 69 HEC HHC 1 1 7 8384 2 2 1 HEC HHD H 2.596 4.645 -1.841 1.00 . B A . 69 HEC HHD 1 1 7 8385 2 2 1 HEC HMA1 H 10.229 10.253 -5.931 1.00 . B A . 69 HEC HMA1 1 1 7 8386 2 2 1 HEC HMA2 H 9.064 10.279 -7.252 1.00 . B A . 69 HEC HMA2 1 1 7 8387 2 2 1 HEC HMA3 H 8.886 11.411 -5.883 1.00 . B A . 69 HEC HMA3 1 1 7 8388 2 2 1 HEC HMB1 H 5.929 10.603 -9.354 1.00 . B A . 69 HEC HMB1 1 1 7 8389 2 2 1 HEC HMB2 H 4.778 9.948 -10.503 1.00 . B A . 69 HEC HMB2 1 1 7 8390 2 2 1 HEC HMB3 H 4.263 11.200 -9.341 1.00 . B A . 69 HEC HMB3 1 1 7 8391 2 2 1 HEC HMC1 H -1.189 5.023 -5.585 1.00 . B A . 69 HEC HMC1 1 1 7 8392 2 2 1 HEC HMC2 H -0.715 6.460 -6.480 1.00 . B A . 69 HEC HMC2 1 1 7 8393 2 2 1 HEC HMC3 H -0.218 4.851 -7.057 1.00 . B A . 69 HEC HMC3 1 1 7 8394 2 2 1 HEC HMD1 H 4.029 3.484 -0.352 1.00 . B A . 69 HEC HMD1 1 1 7 8395 2 2 1 HEC HMD2 H 5.210 4.151 0.774 1.00 . B A . 69 HEC HMD2 1 1 7 8396 2 2 1 HEC HMD3 H 3.663 4.972 0.532 1.00 . B A . 69 HEC HMD3 1 1 7 8397 2 2 1 HEC NA N 6.615 8.000 -4.890 1.00 . B A . 69 HEC NA 1 1 7 8398 2 2 1 HEC NB N 4.448 7.810 -6.746 1.00 . B A . 69 HEC NB 1 1 7 8399 2 2 1 HEC NC N 3.009 6.205 -4.847 1.00 . B A . 69 HEC NC 1 1 7 8400 2 2 1 HEC ND N 5.240 6.327 -3.070 1.00 . B A . 69 HEC ND 1 1 7 8401 2 2 1 HEC O1A O 13.295 8.883 -3.801 1.00 . B A . 69 HEC O1A 1 1 7 8402 2 2 1 HEC O1D O 8.674 5.656 2.285 1.00 . B A . 69 HEC O1D 1 1 7 8403 2 2 1 HEC O2A O 12.360 8.250 -1.884 1.00 . B A . 69 HEC O2A 1 1 7 8404 2 2 1 HEC O2D O 10.189 4.365 1.370 1.00 . B A . 69 HEC O2D 1 1 7 8405 3 2 1 HEC C1A C -2.898 -4.410 -4.779 1.00 . C A . 70 HEC C1A 1 1 7 8406 3 2 1 HEC C1B C -1.108 -2.471 -1.440 1.00 . C A . 70 HEC C1B 1 1 7 8407 3 2 1 HEC C1C C -3.506 0.991 -2.146 1.00 . C A . 70 HEC C1C 1 1 7 8408 3 2 1 HEC C1D C -5.532 -1.045 -5.285 1.00 . C A . 70 HEC C1D 1 1 7 8409 3 2 1 HEC C2A C -2.184 -5.661 -4.635 1.00 . C A . 70 HEC C2A 1 1 7 8410 3 2 1 HEC C2B C -0.410 -1.948 -0.294 1.00 . C A . 70 HEC C2B 1 1 7 8411 3 2 1 HEC C2C C -4.240 2.226 -2.242 1.00 . C A . 70 HEC C2C 1 1 7 8412 3 2 1 HEC C2D C -6.215 -1.570 -6.448 1.00 . C A . 70 HEC C2D 1 1 7 8413 3 2 1 HEC C3A C -1.384 -5.550 -3.524 1.00 . C A . 70 HEC C3A 1 1 7 8414 3 2 1 HEC C3B C -0.787 -0.632 -0.156 1.00 . C A . 70 HEC C3B 1 1 7 8415 3 2 1 HEC C3C C -5.320 1.985 -3.060 1.00 . C A . 70 HEC C3C 1 1 7 8416 3 2 1 HEC C3D C -5.569 -2.724 -6.813 1.00 . C A . 70 HEC C3D 1 1 7 8417 3 2 1 HEC C4A C -1.571 -4.223 -2.996 1.00 . C A . 70 HEC C4A 1 1 7 8418 3 2 1 HEC C4B C -1.792 -0.382 -1.168 1.00 . C A . 70 HEC C4B 1 1 7 8419 3 2 1 HEC C4C C -5.057 0.712 -3.704 1.00 . C A . 70 HEC C4C 1 1 7 8420 3 2 1 HEC C4D C -4.600 -3.013 -5.782 1.00 . C A . 70 HEC C4D 1 1 7 8421 3 2 1 HEC CAA C -2.443 -6.936 -5.402 1.00 . C A . 70 HEC CAA 1 1 7 8422 3 2 1 HEC CAB C -0.322 0.336 0.920 1.00 . C A . 70 HEC CAB 1 1 7 8423 3 2 1 HEC CAC C -6.628 2.769 -3.131 1.00 . C A . 70 HEC CAC 1 1 7 8424 3 2 1 HEC CAD C -5.671 -3.380 -8.174 1.00 . C A . 70 HEC CAD 1 1 7 8425 3 2 1 HEC CBA C -3.504 -7.792 -4.703 1.00 . C A . 70 HEC CBA 1 1 7 8426 3 2 1 HEC CBB C 1.169 0.690 0.818 1.00 . C A . 70 HEC CBB 1 1 7 8427 3 2 1 HEC CBC C -6.737 3.703 -4.331 1.00 . C A . 70 HEC CBC 1 1 7 8428 3 2 1 HEC CBD C -6.818 -4.384 -8.366 1.00 . C A . 70 HEC CBD 1 1 7 8429 3 2 1 HEC CGA C -3.875 -9.050 -5.488 1.00 . C A . 70 HEC CGA 1 1 7 8430 3 2 1 HEC CGD C -6.983 -4.791 -9.842 1.00 . C A . 70 HEC CGD 1 1 7 8431 3 2 1 HEC CHA C -3.835 -4.161 -5.758 1.00 . C A . 70 HEC CHA 1 1 7 8432 3 2 1 HEC CHB C -0.934 -3.761 -1.875 1.00 . C A . 70 HEC CHB 1 1 7 8433 3 2 1 HEC CHC C -2.480 0.803 -1.264 1.00 . C A . 70 HEC CHC 1 1 7 8434 3 2 1 HEC CHD C -5.835 0.170 -4.700 1.00 . C A . 70 HEC CHD 1 1 7 8435 3 2 1 HEC CMA C -0.494 -6.622 -2.933 1.00 . C A . 70 HEC CMA 1 1 7 8436 3 2 1 HEC CMB C 0.437 -2.773 0.649 1.00 . C A . 70 HEC CMB 1 1 7 8437 3 2 1 HEC CMC C -3.847 3.531 -1.584 1.00 . C A . 70 HEC CMC 1 1 7 8438 3 2 1 HEC CMD C -7.346 -0.938 -7.228 1.00 . C A . 70 HEC CMD 1 1 7 8439 3 2 1 HEC FE FE -3.222 -1.721 -3.429 1.00 . C A . 70 HEC FE 1 1 7 8440 3 2 1 HEC HAA1 H -2.780 -6.725 -6.415 1.00 . C A . 70 HEC HAA1 1 1 7 8441 3 2 1 HEC HAA2 H -1.528 -7.520 -5.494 1.00 . C A . 70 HEC HAA2 1 1 7 8442 3 2 1 HEC HAB H -0.841 1.284 0.846 1.00 . C A . 70 HEC HAB 1 1 7 8443 3 2 1 HEC HAC H -7.435 2.046 -3.222 1.00 . C A . 70 HEC HAC 1 1 7 8444 3 2 1 HEC HAD1 H -5.804 -2.578 -8.898 1.00 . C A . 70 HEC HAD1 1 1 7 8445 3 2 1 HEC HAD2 H -4.734 -3.874 -8.426 1.00 . C A . 70 HEC HAD2 1 1 7 8446 3 2 1 HEC HBA1 H -3.135 -8.087 -3.719 1.00 . C A . 70 HEC HBA1 1 1 7 8447 3 2 1 HEC HBA2 H -4.400 -7.184 -4.562 1.00 . C A . 70 HEC HBA2 1 1 7 8448 3 2 1 HEC HBB1 H 1.799 -0.188 0.924 1.00 . C A . 70 HEC HBB1 1 1 7 8449 3 2 1 HEC HBB2 H 1.369 1.143 -0.154 1.00 . C A . 70 HEC HBB2 1 1 7 8450 3 2 1 HEC HBB3 H 1.440 1.406 1.594 1.00 . C A . 70 HEC HBB3 1 1 7 8451 3 2 1 HEC HBC1 H -6.665 3.130 -5.249 1.00 . C A . 70 HEC HBC1 1 1 7 8452 3 2 1 HEC HBC2 H -7.699 4.217 -4.316 1.00 . C A . 70 HEC HBC2 1 1 7 8453 3 2 1 HEC HBC3 H -5.943 4.446 -4.283 1.00 . C A . 70 HEC HBC3 1 1 7 8454 3 2 1 HEC HBD1 H -6.612 -5.267 -7.757 1.00 . C A . 70 HEC HBD1 1 1 7 8455 3 2 1 HEC HBD2 H -7.751 -3.934 -8.026 1.00 . C A . 70 HEC HBD2 1 1 7 8456 3 2 1 HEC HHA H -4.042 -4.920 -6.490 1.00 . C A . 70 HEC HHA 1 1 7 8457 3 2 1 HEC HHB H -0.267 -4.411 -1.332 1.00 . C A . 70 HEC HHB 1 1 7 8458 3 2 1 HEC HHC H -2.288 1.577 -0.549 1.00 . C A . 70 HEC HHC 1 1 7 8459 3 2 1 HEC HHD H -6.647 0.759 -5.080 1.00 . C A . 70 HEC HHD 1 1 7 8460 3 2 1 HEC HMA1 H -0.715 -6.735 -1.871 1.00 . C A . 70 HEC HMA1 1 1 7 8461 3 2 1 HEC HMA2 H -0.668 -7.583 -3.413 1.00 . C A . 70 HEC HMA2 1 1 7 8462 3 2 1 HEC HMA3 H 0.552 -6.342 -3.064 1.00 . C A . 70 HEC HMA3 1 1 7 8463 3 2 1 HEC HMB1 H 0.922 -2.149 1.393 1.00 . C A . 70 HEC HMB1 1 1 7 8464 3 2 1 HEC HMB2 H -0.214 -3.484 1.159 1.00 . C A . 70 HEC HMB2 1 1 7 8465 3 2 1 HEC HMB3 H 1.196 -3.318 0.092 1.00 . C A . 70 HEC HMB3 1 1 7 8466 3 2 1 HEC HMC1 H -4.183 3.559 -0.550 1.00 . C A . 70 HEC HMC1 1 1 7 8467 3 2 1 HEC HMC2 H -2.765 3.632 -1.600 1.00 . C A . 70 HEC HMC2 1 1 7 8468 3 2 1 HEC HMC3 H -4.271 4.374 -2.129 1.00 . C A . 70 HEC HMC3 1 1 7 8469 3 2 1 HEC HMD1 H -8.055 -1.710 -7.526 1.00 . C A . 70 HEC HMD1 1 1 7 8470 3 2 1 HEC HMD2 H -7.880 -0.193 -6.643 1.00 . C A . 70 HEC HMD2 1 1 7 8471 3 2 1 HEC HMD3 H -6.946 -0.477 -8.130 1.00 . C A . 70 HEC HMD3 1 1 7 8472 3 2 1 HEC NA N -2.495 -3.582 -3.767 1.00 . C A . 70 HEC NA 1 1 7 8473 3 2 1 HEC NB N -1.933 -1.504 -1.926 1.00 . C A . 70 HEC NB 1 1 7 8474 3 2 1 HEC NC N -3.991 0.136 -3.075 1.00 . C A . 70 HEC NC 1 1 7 8475 3 2 1 HEC ND N -4.571 -1.949 -4.928 1.00 . C A . 70 HEC ND 1 1 7 8476 3 2 1 HEC O1A O -5.015 -9.518 -5.277 1.00 . C A . 70 HEC O1A 1 1 7 8477 3 2 1 HEC O1D O -6.473 -4.051 -10.719 1.00 . C A . 70 HEC O1D 1 1 7 8478 3 2 1 HEC O2A O -3.022 -9.518 -6.273 1.00 . C A . 70 HEC O2A 1 1 7 8479 3 2 1 HEC O2D O -7.631 -5.824 -10.099 1.00 . C A . 70 HEC O2D 1 1 7 8480 4 2 1 HEC C1A C 3.056 -5.738 9.454 1.00 . D A . 71 HEC C1A 1 1 7 8481 4 2 1 HEC C1B C 0.586 -9.239 9.866 1.00 . D A . 71 HEC C1B 1 1 7 8482 4 2 1 HEC C1C C -1.412 -8.216 6.267 1.00 . D A . 71 HEC C1C 1 1 7 8483 4 2 1 HEC C1D C 1.116 -4.889 5.755 1.00 . D A . 71 HEC C1D 1 1 7 8484 4 2 1 HEC C2A C 3.844 -5.983 10.646 1.00 . D A . 71 HEC C2A 1 1 7 8485 4 2 1 HEC C2B C -0.130 -10.480 10.087 1.00 . D A . 71 HEC C2B 1 1 7 8486 4 2 1 HEC C2C C -2.150 -8.099 5.038 1.00 . D A . 71 HEC C2C 1 1 7 8487 4 2 1 HEC C2D C 1.864 -3.714 5.414 1.00 . D A . 71 HEC C2D 1 1 7 8488 4 2 1 HEC C3A C 3.234 -7.022 11.309 1.00 . D A . 71 HEC C3A 1 1 7 8489 4 2 1 HEC C3B C -1.082 -10.572 9.094 1.00 . D A . 71 HEC C3B 1 1 7 8490 4 2 1 HEC C3C C -1.730 -6.920 4.453 1.00 . D A . 71 HEC C3C 1 1 7 8491 4 2 1 HEC C3D C 2.784 -3.513 6.416 1.00 . D A . 71 HEC C3D 1 1 7 8492 4 2 1 HEC C4A C 2.235 -7.571 10.429 1.00 . D A . 71 HEC C4A 1 1 7 8493 4 2 1 HEC C4B C -0.871 -9.445 8.226 1.00 . D A . 71 HEC C4B 1 1 7 8494 4 2 1 HEC C4C C -0.637 -6.437 5.275 1.00 . D A . 71 HEC C4C 1 1 7 8495 4 2 1 HEC C4D C 2.574 -4.565 7.392 1.00 . D A . 71 HEC C4D 1 1 7 8496 4 2 1 HEC CAA C 5.277 -5.546 10.894 1.00 . D A . 71 HEC CAA 1 1 7 8497 4 2 1 HEC CAB C -2.150 -11.631 8.862 1.00 . D A . 71 HEC CAB 1 1 7 8498 4 2 1 HEC CAC C -2.263 -6.207 3.214 1.00 . D A . 71 HEC CAC 1 1 7 8499 4 2 1 HEC CAD C 3.709 -2.331 6.567 1.00 . D A . 71 HEC CAD 1 1 7 8500 4 2 1 HEC CBA C 6.193 -6.714 10.509 1.00 . D A . 71 HEC CBA 1 1 7 8501 4 2 1 HEC CBB C -2.605 -12.427 10.090 1.00 . D A . 71 HEC CBB 1 1 7 8502 4 2 1 HEC CBC C -3.781 -6.039 3.146 1.00 . D A . 71 HEC CBC 1 1 7 8503 4 2 1 HEC CBD C 5.203 -2.656 6.701 1.00 . D A . 71 HEC CBD 1 1 7 8504 4 2 1 HEC CGA C 7.682 -6.620 10.847 1.00 . D A . 71 HEC CGA 1 1 7 8505 4 2 1 HEC CGD C 5.900 -1.688 7.668 1.00 . D A . 71 HEC CGD 1 1 7 8506 4 2 1 HEC CHA C 3.301 -4.722 8.554 1.00 . D A . 71 HEC CHA 1 1 7 8507 4 2 1 HEC CHB C 1.548 -8.734 10.714 1.00 . D A . 71 HEC CHB 1 1 7 8508 4 2 1 HEC CHC C -1.603 -9.262 7.094 1.00 . D A . 71 HEC CHC 1 1 7 8509 4 2 1 HEC CHD C 0.116 -5.348 4.950 1.00 . D A . 71 HEC CHD 1 1 7 8510 4 2 1 HEC CMA C 3.591 -7.547 12.680 1.00 . D A . 71 HEC CMA 1 1 7 8511 4 2 1 HEC CMB C 0.163 -11.512 11.154 1.00 . D A . 71 HEC CMB 1 1 7 8512 4 2 1 HEC CMC C -3.071 -9.193 4.517 1.00 . D A . 71 HEC CMC 1 1 7 8513 4 2 1 HEC CMD C 1.621 -2.908 4.165 1.00 . D A . 71 HEC CMD 1 1 7 8514 4 2 1 HEC FE FE 0.848 -6.980 7.892 1.00 . D A . 71 HEC FE 1 1 7 8515 4 2 1 HEC HAA1 H 5.558 -4.681 10.293 1.00 . D A . 71 HEC HAA1 1 1 7 8516 4 2 1 HEC HAA2 H 5.437 -5.294 11.941 1.00 . D A . 71 HEC HAA2 1 1 7 8517 4 2 1 HEC HAB H -3.050 -11.129 8.499 1.00 . D A . 71 HEC HAB 1 1 7 8518 4 2 1 HEC HAC H -1.913 -5.179 3.214 1.00 . D A . 71 HEC HAC 1 1 7 8519 4 2 1 HEC HAD1 H 3.587 -1.591 5.780 1.00 . D A . 71 HEC HAD1 1 1 7 8520 4 2 1 HEC HAD2 H 3.387 -1.869 7.489 1.00 . D A . 71 HEC HAD2 1 1 7 8521 4 2 1 HEC HBA1 H 5.833 -7.585 11.050 1.00 . D A . 71 HEC HBA1 1 1 7 8522 4 2 1 HEC HBA2 H 6.065 -6.879 9.441 1.00 . D A . 71 HEC HBA2 1 1 7 8523 4 2 1 HEC HBB1 H -3.558 -12.912 9.884 1.00 . D A . 71 HEC HBB1 1 1 7 8524 4 2 1 HEC HBB2 H -1.884 -13.200 10.346 1.00 . D A . 71 HEC HBB2 1 1 7 8525 4 2 1 HEC HBB3 H -2.753 -11.752 10.932 1.00 . D A . 71 HEC HBB3 1 1 7 8526 4 2 1 HEC HBC1 H -4.259 -6.994 2.956 1.00 . D A . 71 HEC HBC1 1 1 7 8527 4 2 1 HEC HBC2 H -4.150 -5.607 4.077 1.00 . D A . 71 HEC HBC2 1 1 7 8528 4 2 1 HEC HBC3 H -4.025 -5.360 2.327 1.00 . D A . 71 HEC HBC3 1 1 7 8529 4 2 1 HEC HBD1 H 5.327 -3.668 7.064 1.00 . D A . 71 HEC HBD1 1 1 7 8530 4 2 1 HEC HBD2 H 5.670 -2.619 5.721 1.00 . D A . 71 HEC HBD2 1 1 7 8531 4 2 1 HEC HHA H 4.096 -4.027 8.762 1.00 . D A . 71 HEC HHA 1 1 7 8532 4 2 1 HEC HHB H 1.769 -9.249 11.626 1.00 . D A . 71 HEC HHB 1 1 7 8533 4 2 1 HEC HHC H -2.332 -9.987 6.808 1.00 . D A . 71 HEC HHC 1 1 7 8534 4 2 1 HEC HHD H -0.053 -4.854 4.010 1.00 . D A . 71 HEC HHD 1 1 7 8535 4 2 1 HEC HMA1 H 3.899 -8.586 12.606 1.00 . D A . 71 HEC HMA1 1 1 7 8536 4 2 1 HEC HMA2 H 4.404 -6.967 13.113 1.00 . D A . 71 HEC HMA2 1 1 7 8537 4 2 1 HEC HMA3 H 2.717 -7.473 13.328 1.00 . D A . 71 HEC HMA3 1 1 7 8538 4 2 1 HEC HMB1 H 0.170 -12.498 10.693 1.00 . D A . 71 HEC HMB1 1 1 7 8539 4 2 1 HEC HMB2 H 1.145 -11.356 11.593 1.00 . D A . 71 HEC HMB2 1 1 7 8540 4 2 1 HEC HMB3 H -0.593 -11.466 11.936 1.00 . D A . 71 HEC HMB3 1 1 7 8541 4 2 1 HEC HMC1 H -3.952 -9.280 5.156 1.00 . D A . 71 HEC HMC1 1 1 7 8542 4 2 1 HEC HMC2 H -3.369 -9.005 3.490 1.00 . D A . 71 HEC HMC2 1 1 7 8543 4 2 1 HEC HMC3 H -2.569 -10.167 4.569 1.00 . D A . 71 HEC HMC3 1 1 7 8544 4 2 1 HEC HMD1 H 2.294 -2.058 4.076 1.00 . D A . 71 HEC HMD1 1 1 7 8545 4 2 1 HEC HMD2 H 1.734 -3.572 3.314 1.00 . D A . 71 HEC HMD2 1 1 7 8546 4 2 1 HEC HMD3 H 0.586 -2.576 4.155 1.00 . D A . 71 HEC HMD3 1 1 7 8547 4 2 1 HEC NA N 2.127 -6.747 9.361 1.00 . D A . 71 HEC NA 1 1 7 8548 4 2 1 HEC NB N 0.130 -8.681 8.720 1.00 . D A . 71 HEC NB 1 1 7 8549 4 2 1 HEC NC N -0.517 -7.227 6.366 1.00 . D A . 71 HEC NC 1 1 7 8550 4 2 1 HEC ND N 1.562 -5.356 6.944 1.00 . D A . 71 HEC ND 1 1 7 8551 4 2 1 HEC O1A O 8.436 -7.431 10.250 1.00 . D A . 71 HEC O1A 1 1 7 8552 4 2 1 HEC O1D O 6.897 -1.065 7.252 1.00 . D A . 71 HEC O1D 1 1 7 8553 4 2 1 HEC O2A O 8.019 -5.843 11.765 1.00 . D A . 71 HEC O2A 1 1 7 8554 4 2 1 HEC O2D O 5.378 -1.545 8.801 1.00 . D A . 71 HEC O2D 1 1 8 8555 1 1 1 ALA C C 8.393 4.060 -9.808 1.00 . A A . 1 ALA C 1 1 8 8556 1 1 1 ALA CA C 8.505 5.382 -9.040 1.00 . A A . 1 ALA CA 1 1 8 8557 1 1 1 ALA CB C 9.653 5.391 -8.020 1.00 . A A . 1 ALA CB 1 1 8 8558 1 1 1 ALA H1 H 6.960 5.006 -7.752 1.00 . A A . 1 ALA H1 1 1 8 8559 1 1 1 ALA H2 H 7.262 6.604 -7.917 1.00 . A A . 1 ALA H2 1 1 8 8560 1 1 1 ALA H3 H 6.504 5.771 -9.127 1.00 . A A . 1 ALA H3 1 1 8 8561 1 1 1 ALA HA H 8.728 6.160 -9.773 1.00 . A A . 1 ALA HA 1 1 8 8562 1 1 1 ALA HB1 H 10.587 5.131 -8.519 1.00 . A A . 1 ALA HB1 1 1 8 8563 1 1 1 ALA HB2 H 9.756 6.387 -7.587 1.00 . A A . 1 ALA HB2 1 1 8 8564 1 1 1 ALA HB3 H 9.477 4.678 -7.214 1.00 . A A . 1 ALA HB3 1 1 8 8565 1 1 1 ALA N N 7.214 5.724 -8.412 1.00 . A A . 1 ALA N 1 1 8 8566 1 1 1 ALA O O 8.003 4.075 -10.969 1.00 . A A . 1 ALA O 1 1 8 8567 1 1 2 ASP C C 8.742 0.662 -8.437 1.00 . A A . 2 ASP C 1 1 8 8568 1 1 2 ASP CA C 8.828 1.587 -9.655 1.00 . A A . 2 ASP CA 1 1 8 8569 1 1 2 ASP CB C 10.162 1.431 -10.391 1.00 . A A . 2 ASP CB 1 1 8 8570 1 1 2 ASP CG C 11.353 1.518 -9.444 1.00 . A A . 2 ASP CG 1 1 8 8571 1 1 2 ASP H H 8.991 2.980 -8.189 1.00 . A A . 2 ASP H 1 1 8 8572 1 1 2 ASP HA H 8.025 1.357 -10.342 1.00 . A A . 2 ASP HA 1 1 8 8573 1 1 2 ASP HB2 H 10.177 0.461 -10.885 1.00 . A A . 2 ASP HB2 1 1 8 8574 1 1 2 ASP HB3 H 10.257 2.203 -11.153 1.00 . A A . 2 ASP HB3 1 1 8 8575 1 1 2 ASP N N 8.685 2.939 -9.146 1.00 . A A . 2 ASP N 1 1 8 8576 1 1 2 ASP O O 8.718 1.153 -7.309 1.00 . A A . 2 ASP O 1 1 8 8577 1 1 2 ASP OD1 O 11.428 2.536 -8.721 1.00 . A A . 2 ASP OD1 1 1 8 8578 1 1 2 ASP OD2 O 12.156 0.564 -9.466 1.00 . A A . 2 ASP OD2 1 1 8 8579 1 1 3 VAL C C 9.329 -1.556 -6.458 1.00 . A A . 3 VAL C 1 1 8 8580 1 1 3 VAL CA C 8.285 -1.589 -7.579 1.00 . A A . 3 VAL CA 1 1 8 8581 1 1 3 VAL CB C 8.020 -3.000 -8.147 1.00 . A A . 3 VAL CB 1 1 8 8582 1 1 3 VAL CG1 C 9.190 -3.566 -8.964 1.00 . A A . 3 VAL CG1 1 1 8 8583 1 1 3 VAL CG2 C 7.655 -3.996 -7.038 1.00 . A A . 3 VAL CG2 1 1 8 8584 1 1 3 VAL H H 8.670 -0.994 -9.594 1.00 . A A . 3 VAL H 1 1 8 8585 1 1 3 VAL HA H 7.355 -1.238 -7.140 1.00 . A A . 3 VAL HA 1 1 8 8586 1 1 3 VAL HB H 7.163 -2.926 -8.820 1.00 . A A . 3 VAL HB 1 1 8 8587 1 1 3 VAL HG11 H 9.437 -2.908 -9.795 1.00 . A A . 3 VAL HG11 1 1 8 8588 1 1 3 VAL HG12 H 10.070 -3.696 -8.335 1.00 . A A . 3 VAL HG12 1 1 8 8589 1 1 3 VAL HG13 H 8.906 -4.537 -9.370 1.00 . A A . 3 VAL HG13 1 1 8 8590 1 1 3 VAL HG21 H 6.842 -3.606 -6.429 1.00 . A A . 3 VAL HG21 1 1 8 8591 1 1 3 VAL HG22 H 7.331 -4.937 -7.483 1.00 . A A . 3 VAL HG22 1 1 8 8592 1 1 3 VAL HG23 H 8.516 -4.189 -6.396 1.00 . A A . 3 VAL HG23 1 1 8 8593 1 1 3 VAL N N 8.599 -0.648 -8.651 1.00 . A A . 3 VAL N 1 1 8 8594 1 1 3 VAL O O 10.519 -1.729 -6.706 1.00 . A A . 3 VAL O 1 1 8 8595 1 1 4 VAL C C 9.175 -2.393 -3.078 1.00 . A A . 4 VAL C 1 1 8 8596 1 1 4 VAL CA C 9.706 -1.328 -4.025 1.00 . A A . 4 VAL CA 1 1 8 8597 1 1 4 VAL CB C 9.688 0.080 -3.391 1.00 . A A . 4 VAL CB 1 1 8 8598 1 1 4 VAL CG1 C 10.275 0.164 -1.969 1.00 . A A . 4 VAL CG1 1 1 8 8599 1 1 4 VAL CG2 C 10.516 1.038 -4.247 1.00 . A A . 4 VAL CG2 1 1 8 8600 1 1 4 VAL H H 7.867 -1.321 -5.057 1.00 . A A . 4 VAL H 1 1 8 8601 1 1 4 VAL HA H 10.737 -1.587 -4.260 1.00 . A A . 4 VAL HA 1 1 8 8602 1 1 4 VAL HB H 8.661 0.441 -3.368 1.00 . A A . 4 VAL HB 1 1 8 8603 1 1 4 VAL HG11 H 11.297 -0.215 -1.960 1.00 . A A . 4 VAL HG11 1 1 8 8604 1 1 4 VAL HG12 H 10.283 1.201 -1.635 1.00 . A A . 4 VAL HG12 1 1 8 8605 1 1 4 VAL HG13 H 9.685 -0.406 -1.253 1.00 . A A . 4 VAL HG13 1 1 8 8606 1 1 4 VAL HG21 H 10.152 1.043 -5.271 1.00 . A A . 4 VAL HG21 1 1 8 8607 1 1 4 VAL HG22 H 10.442 2.045 -3.837 1.00 . A A . 4 VAL HG22 1 1 8 8608 1 1 4 VAL HG23 H 11.558 0.719 -4.237 1.00 . A A . 4 VAL HG23 1 1 8 8609 1 1 4 VAL N N 8.870 -1.346 -5.219 1.00 . A A . 4 VAL N 1 1 8 8610 1 1 4 VAL O O 8.058 -2.900 -3.243 1.00 . A A . 4 VAL O 1 1 8 8611 1 1 5 THR C C 10.033 -2.701 0.405 1.00 . A A . 5 THR C 1 1 8 8612 1 1 5 THR CA C 9.452 -3.317 -0.867 1.00 . A A . 5 THR CA 1 1 8 8613 1 1 5 THR CB C 9.662 -4.833 -0.927 1.00 . A A . 5 THR CB 1 1 8 8614 1 1 5 THR CG2 C 11.126 -5.242 -1.096 1.00 . A A . 5 THR CG2 1 1 8 8615 1 1 5 THR H H 10.892 -2.297 -1.976 1.00 . A A . 5 THR H 1 1 8 8616 1 1 5 THR HA H 8.392 -3.050 -0.843 1.00 . A A . 5 THR HA 1 1 8 8617 1 1 5 THR HB H 9.114 -5.219 -1.783 1.00 . A A . 5 THR HB 1 1 8 8618 1 1 5 THR HG1 H 8.308 -4.867 0.377 1.00 . A A . 5 THR HG1 1 1 8 8619 1 1 5 THR HG21 H 11.197 -6.331 -1.088 1.00 . A A . 5 THR HG21 1 1 8 8620 1 1 5 THR HG22 H 11.518 -4.875 -2.043 1.00 . A A . 5 THR HG22 1 1 8 8621 1 1 5 THR HG23 H 11.731 -4.846 -0.282 1.00 . A A . 5 THR HG23 1 1 8 8622 1 1 5 THR N N 9.974 -2.707 -2.058 1.00 . A A . 5 THR N 1 1 8 8623 1 1 5 THR O O 11.158 -2.209 0.427 1.00 . A A . 5 THR O 1 1 8 8624 1 1 5 THR OG1 O 9.119 -5.370 0.254 1.00 . A A . 5 THR OG1 1 1 8 8625 1 1 6 TYR C C 10.330 -3.119 3.655 1.00 . A A . 6 TYR C 1 1 8 8626 1 1 6 TYR CA C 9.428 -2.226 2.782 1.00 . A A . 6 TYR CA 1 1 8 8627 1 1 6 TYR CB C 8.072 -2.087 3.472 1.00 . A A . 6 TYR CB 1 1 8 8628 1 1 6 TYR CD1 C 7.392 0.072 2.293 1.00 . A A . 6 TYR CD1 1 1 8 8629 1 1 6 TYR CD2 C 5.707 -1.609 2.749 1.00 . A A . 6 TYR CD2 1 1 8 8630 1 1 6 TYR CE1 C 6.436 0.821 1.587 1.00 . A A . 6 TYR CE1 1 1 8 8631 1 1 6 TYR CE2 C 4.752 -0.859 2.049 1.00 . A A . 6 TYR CE2 1 1 8 8632 1 1 6 TYR CG C 7.045 -1.189 2.810 1.00 . A A . 6 TYR CG 1 1 8 8633 1 1 6 TYR CZ C 5.133 0.327 1.417 1.00 . A A . 6 TYR CZ 1 1 8 8634 1 1 6 TYR H H 8.251 -3.019 1.225 1.00 . A A . 6 TYR H 1 1 8 8635 1 1 6 TYR HA H 9.883 -1.242 2.711 1.00 . A A . 6 TYR HA 1 1 8 8636 1 1 6 TYR HB2 H 7.653 -3.089 3.573 1.00 . A A . 6 TYR HB2 1 1 8 8637 1 1 6 TYR HB3 H 8.256 -1.710 4.469 1.00 . A A . 6 TYR HB3 1 1 8 8638 1 1 6 TYR HD1 H 8.401 0.444 2.369 1.00 . A A . 6 TYR HD1 1 1 8 8639 1 1 6 TYR HD2 H 5.417 -2.539 3.196 1.00 . A A . 6 TYR HD2 1 1 8 8640 1 1 6 TYR HE1 H 6.754 1.705 1.067 1.00 . A A . 6 TYR HE1 1 1 8 8641 1 1 6 TYR HE2 H 3.750 -1.235 1.929 1.00 . A A . 6 TYR HE2 1 1 8 8642 1 1 6 TYR HH H 4.702 0.975 -0.345 1.00 . A A . 6 TYR HH 1 1 8 8643 1 1 6 TYR N N 9.190 -2.724 1.439 1.00 . A A . 6 TYR N 1 1 8 8644 1 1 6 TYR O O 10.960 -2.610 4.579 1.00 . A A . 6 TYR O 1 1 8 8645 1 1 6 TYR OH O 4.284 0.899 0.518 1.00 . A A . 6 TYR OH 1 1 8 8646 1 1 7 GLU C C 10.824 -5.447 5.677 1.00 . A A . 7 GLU C 1 1 8 8647 1 1 7 GLU CA C 11.126 -5.422 4.166 1.00 . A A . 7 GLU CA 1 1 8 8648 1 1 7 GLU CB C 12.612 -5.232 3.957 1.00 . A A . 7 GLU CB 1 1 8 8649 1 1 7 GLU CD C 13.012 -6.722 1.978 1.00 . A A . 7 GLU CD 1 1 8 8650 1 1 7 GLU CG C 13.098 -5.300 2.506 1.00 . A A . 7 GLU CG 1 1 8 8651 1 1 7 GLU H H 9.978 -4.757 2.530 1.00 . A A . 7 GLU H 1 1 8 8652 1 1 7 GLU HA H 10.876 -6.399 3.761 1.00 . A A . 7 GLU HA 1 1 8 8653 1 1 7 GLU HB2 H 12.809 -4.264 4.383 1.00 . A A . 7 GLU HB2 1 1 8 8654 1 1 7 GLU HB3 H 13.099 -6.006 4.541 1.00 . A A . 7 GLU HB3 1 1 8 8655 1 1 7 GLU HG2 H 12.525 -4.623 1.877 1.00 . A A . 7 GLU HG2 1 1 8 8656 1 1 7 GLU HG3 H 14.144 -4.994 2.472 1.00 . A A . 7 GLU HG3 1 1 8 8657 1 1 7 GLU N N 10.372 -4.433 3.397 1.00 . A A . 7 GLU N 1 1 8 8658 1 1 7 GLU O O 11.695 -5.242 6.523 1.00 . A A . 7 GLU O 1 1 8 8659 1 1 7 GLU OE1 O 13.896 -7.521 2.354 1.00 . A A . 7 GLU OE1 1 1 8 8660 1 1 7 GLU OE2 O 12.044 -6.989 1.239 1.00 . A A . 7 GLU OE2 1 1 8 8661 1 1 8 ASN C C 9.615 -7.671 7.630 1.00 . A A . 8 ASN C 1 1 8 8662 1 1 8 ASN CA C 9.178 -6.237 7.345 1.00 . A A . 8 ASN CA 1 1 8 8663 1 1 8 ASN CB C 7.657 -6.170 7.490 1.00 . A A . 8 ASN CB 1 1 8 8664 1 1 8 ASN CG C 6.958 -7.036 6.456 1.00 . A A . 8 ASN CG 1 1 8 8665 1 1 8 ASN H H 9.006 -5.985 5.218 1.00 . A A . 8 ASN H 1 1 8 8666 1 1 8 ASN HA H 9.626 -5.582 8.094 1.00 . A A . 8 ASN HA 1 1 8 8667 1 1 8 ASN HB2 H 7.367 -6.542 8.463 1.00 . A A . 8 ASN HB2 1 1 8 8668 1 1 8 ASN HB3 H 7.327 -5.141 7.439 1.00 . A A . 8 ASN HB3 1 1 8 8669 1 1 8 ASN HD21 H 6.154 -5.399 5.485 1.00 . A A . 8 ASN HD21 1 1 8 8670 1 1 8 ASN HD22 H 5.903 -6.957 4.746 1.00 . A A . 8 ASN HD22 1 1 8 8671 1 1 8 ASN N N 9.599 -5.828 6.006 1.00 . A A . 8 ASN N 1 1 8 8672 1 1 8 ASN ND2 N 6.292 -6.419 5.498 1.00 . A A . 8 ASN ND2 1 1 8 8673 1 1 8 ASN O O 10.036 -8.395 6.723 1.00 . A A . 8 ASN O 1 1 8 8674 1 1 8 ASN OD1 O 7.039 -8.263 6.492 1.00 . A A . 8 ASN OD1 1 1 8 8675 1 1 9 LYS C C 8.791 -10.516 8.897 1.00 . A A . 9 LYS C 1 1 8 8676 1 1 9 LYS CA C 9.792 -9.437 9.330 1.00 . A A . 9 LYS CA 1 1 8 8677 1 1 9 LYS CB C 9.947 -9.458 10.866 1.00 . A A . 9 LYS CB 1 1 8 8678 1 1 9 LYS CD C 12.125 -8.209 11.089 1.00 . A A . 9 LYS CD 1 1 8 8679 1 1 9 LYS CE C 13.640 -8.394 10.956 1.00 . A A . 9 LYS CE 1 1 8 8680 1 1 9 LYS CG C 11.409 -9.550 11.304 1.00 . A A . 9 LYS CG 1 1 8 8681 1 1 9 LYS H H 9.047 -7.454 9.586 1.00 . A A . 9 LYS H 1 1 8 8682 1 1 9 LYS HA H 10.740 -9.680 8.849 1.00 . A A . 9 LYS HA 1 1 8 8683 1 1 9 LYS HB2 H 9.484 -8.589 11.329 1.00 . A A . 9 LYS HB2 1 1 8 8684 1 1 9 LYS HB3 H 9.438 -10.336 11.265 1.00 . A A . 9 LYS HB3 1 1 8 8685 1 1 9 LYS HD2 H 11.772 -7.747 10.165 1.00 . A A . 9 LYS HD2 1 1 8 8686 1 1 9 LYS HD3 H 11.878 -7.528 11.906 1.00 . A A . 9 LYS HD3 1 1 8 8687 1 1 9 LYS HE2 H 13.835 -8.953 10.037 1.00 . A A . 9 LYS HE2 1 1 8 8688 1 1 9 LYS HE3 H 14.099 -7.409 10.859 1.00 . A A . 9 LYS HE3 1 1 8 8689 1 1 9 LYS HG2 H 11.425 -9.807 12.364 1.00 . A A . 9 LYS HG2 1 1 8 8690 1 1 9 LYS HG3 H 11.880 -10.354 10.735 1.00 . A A . 9 LYS HG3 1 1 8 8691 1 1 9 LYS HZ1 H 13.818 -10.030 12.188 1.00 . A A . 9 LYS HZ1 1 1 8 8692 1 1 9 LYS HZ2 H 15.226 -9.215 11.969 1.00 . A A . 9 LYS HZ2 1 1 8 8693 1 1 9 LYS HZ3 H 14.067 -8.596 12.960 1.00 . A A . 9 LYS HZ3 1 1 8 8694 1 1 9 LYS N N 9.442 -8.097 8.886 1.00 . A A . 9 LYS N 1 1 8 8695 1 1 9 LYS NZ N 14.230 -9.112 12.106 1.00 . A A . 9 LYS NZ 1 1 8 8696 1 1 9 LYS O O 9.094 -11.697 9.050 1.00 . A A . 9 LYS O 1 1 8 8697 1 1 10 LYS C C 6.919 -11.915 6.876 1.00 . A A . 10 LYS C 1 1 8 8698 1 1 10 LYS CA C 6.558 -11.144 8.137 1.00 . A A . 10 LYS CA 1 1 8 8699 1 1 10 LYS CB C 5.184 -10.475 7.952 1.00 . A A . 10 LYS CB 1 1 8 8700 1 1 10 LYS CD C 3.927 -10.368 10.178 1.00 . A A . 10 LYS CD 1 1 8 8701 1 1 10 LYS CE C 4.675 -11.574 10.761 1.00 . A A . 10 LYS CE 1 1 8 8702 1 1 10 LYS CG C 4.741 -9.598 9.128 1.00 . A A . 10 LYS CG 1 1 8 8703 1 1 10 LYS H H 7.422 -9.188 8.190 1.00 . A A . 10 LYS H 1 1 8 8704 1 1 10 LYS HA H 6.530 -11.865 8.948 1.00 . A A . 10 LYS HA 1 1 8 8705 1 1 10 LYS HB2 H 5.227 -9.835 7.073 1.00 . A A . 10 LYS HB2 1 1 8 8706 1 1 10 LYS HB3 H 4.428 -11.236 7.754 1.00 . A A . 10 LYS HB3 1 1 8 8707 1 1 10 LYS HD2 H 3.703 -9.666 10.976 1.00 . A A . 10 LYS HD2 1 1 8 8708 1 1 10 LYS HD3 H 2.988 -10.688 9.718 1.00 . A A . 10 LYS HD3 1 1 8 8709 1 1 10 LYS HE2 H 4.713 -12.366 10.012 1.00 . A A . 10 LYS HE2 1 1 8 8710 1 1 10 LYS HE3 H 5.689 -11.270 11.028 1.00 . A A . 10 LYS HE3 1 1 8 8711 1 1 10 LYS HG2 H 5.607 -9.114 9.579 1.00 . A A . 10 LYS HG2 1 1 8 8712 1 1 10 LYS HG3 H 4.108 -8.801 8.725 1.00 . A A . 10 LYS HG3 1 1 8 8713 1 1 10 LYS HZ1 H 3.981 -11.427 12.691 1.00 . A A . 10 LYS HZ1 1 1 8 8714 1 1 10 LYS HZ2 H 3.084 -12.434 11.739 1.00 . A A . 10 LYS HZ2 1 1 8 8715 1 1 10 LYS HZ3 H 4.551 -12.917 12.300 1.00 . A A . 10 LYS HZ3 1 1 8 8716 1 1 10 LYS N N 7.592 -10.157 8.431 1.00 . A A . 10 LYS N 1 1 8 8717 1 1 10 LYS NZ N 4.019 -12.125 11.962 1.00 . A A . 10 LYS NZ 1 1 8 8718 1 1 10 LYS O O 6.906 -13.143 6.854 1.00 . A A . 10 LYS O 1 1 8 8719 1 1 11 GLY C C 7.566 -10.518 3.544 1.00 . A A . 11 GLY C 1 1 8 8720 1 1 11 GLY CA C 7.555 -11.682 4.517 1.00 . A A . 11 GLY CA 1 1 8 8721 1 1 11 GLY H H 7.136 -10.150 5.945 1.00 . A A . 11 GLY H 1 1 8 8722 1 1 11 GLY HA2 H 8.549 -12.130 4.557 1.00 . A A . 11 GLY HA2 1 1 8 8723 1 1 11 GLY HA3 H 6.832 -12.432 4.194 1.00 . A A . 11 GLY HA3 1 1 8 8724 1 1 11 GLY N N 7.198 -11.158 5.822 1.00 . A A . 11 GLY N 1 1 8 8725 1 1 11 GLY O O 6.977 -10.595 2.464 1.00 . A A . 11 GLY O 1 1 8 8726 1 1 12 ASN C C 6.940 -7.663 2.859 1.00 . A A . 12 ASN C 1 1 8 8727 1 1 12 ASN CA C 8.338 -8.187 3.226 1.00 . A A . 12 ASN CA 1 1 8 8728 1 1 12 ASN CB C 9.250 -8.428 2.011 1.00 . A A . 12 ASN CB 1 1 8 8729 1 1 12 ASN CG C 10.524 -9.217 2.343 1.00 . A A . 12 ASN CG 1 1 8 8730 1 1 12 ASN H H 8.662 -9.453 4.884 1.00 . A A . 12 ASN H 1 1 8 8731 1 1 12 ASN HA H 8.839 -7.439 3.847 1.00 . A A . 12 ASN HA 1 1 8 8732 1 1 12 ASN HB2 H 8.701 -8.975 1.243 1.00 . A A . 12 ASN HB2 1 1 8 8733 1 1 12 ASN HB3 H 9.547 -7.469 1.592 1.00 . A A . 12 ASN HB3 1 1 8 8734 1 1 12 ASN HD21 H 10.657 -8.507 4.276 1.00 . A A . 12 ASN HD21 1 1 8 8735 1 1 12 ASN HD22 H 11.977 -9.499 3.694 1.00 . A A . 12 ASN HD22 1 1 8 8736 1 1 12 ASN N N 8.207 -9.423 3.980 1.00 . A A . 12 ASN N 1 1 8 8737 1 1 12 ASN ND2 N 11.070 -9.081 3.555 1.00 . A A . 12 ASN ND2 1 1 8 8738 1 1 12 ASN O O 5.925 -8.154 3.376 1.00 . A A . 12 ASN O 1 1 8 8739 1 1 12 ASN OD1 O 10.985 -10.013 1.530 1.00 . A A . 12 ASN OD1 1 1 8 8740 1 1 13 VAL C C 6.078 -5.693 -0.032 1.00 . A A . 13 VAL C 1 1 8 8741 1 1 13 VAL CA C 5.654 -6.218 1.333 1.00 . A A . 13 VAL CA 1 1 8 8742 1 1 13 VAL CB C 4.870 -5.160 2.135 1.00 . A A . 13 VAL CB 1 1 8 8743 1 1 13 VAL CG1 C 4.091 -4.179 1.242 1.00 . A A . 13 VAL CG1 1 1 8 8744 1 1 13 VAL CG2 C 3.842 -5.814 3.063 1.00 . A A . 13 VAL CG2 1 1 8 8745 1 1 13 VAL H H 7.730 -6.136 1.790 1.00 . A A . 13 VAL H 1 1 8 8746 1 1 13 VAL HA H 5.015 -7.087 1.174 1.00 . A A . 13 VAL HA 1 1 8 8747 1 1 13 VAL HB H 5.577 -4.603 2.744 1.00 . A A . 13 VAL HB 1 1 8 8748 1 1 13 VAL HG11 H 3.394 -3.609 1.847 1.00 . A A . 13 VAL HG11 1 1 8 8749 1 1 13 VAL HG12 H 4.757 -3.456 0.775 1.00 . A A . 13 VAL HG12 1 1 8 8750 1 1 13 VAL HG13 H 3.531 -4.722 0.481 1.00 . A A . 13 VAL HG13 1 1 8 8751 1 1 13 VAL HG21 H 3.252 -5.052 3.565 1.00 . A A . 13 VAL HG21 1 1 8 8752 1 1 13 VAL HG22 H 3.185 -6.470 2.501 1.00 . A A . 13 VAL HG22 1 1 8 8753 1 1 13 VAL HG23 H 4.341 -6.384 3.828 1.00 . A A . 13 VAL HG23 1 1 8 8754 1 1 13 VAL N N 6.873 -6.621 2.029 1.00 . A A . 13 VAL N 1 1 8 8755 1 1 13 VAL O O 6.626 -4.595 -0.118 1.00 . A A . 13 VAL O 1 1 8 8756 1 1 14 THR C C 4.891 -5.072 -2.805 1.00 . A A . 14 THR C 1 1 8 8757 1 1 14 THR CA C 6.076 -5.969 -2.441 1.00 . A A . 14 THR CA 1 1 8 8758 1 1 14 THR CB C 6.320 -7.133 -3.417 1.00 . A A . 14 THR CB 1 1 8 8759 1 1 14 THR CG2 C 5.120 -8.068 -3.588 1.00 . A A . 14 THR CG2 1 1 8 8760 1 1 14 THR H H 5.349 -7.330 -0.972 1.00 . A A . 14 THR H 1 1 8 8761 1 1 14 THR HA H 6.980 -5.362 -2.453 1.00 . A A . 14 THR HA 1 1 8 8762 1 1 14 THR HB H 7.153 -7.725 -3.031 1.00 . A A . 14 THR HB 1 1 8 8763 1 1 14 THR HG1 H 7.516 -6.144 -4.604 1.00 . A A . 14 THR HG1 1 1 8 8764 1 1 14 THR HG21 H 4.306 -7.556 -4.103 1.00 . A A . 14 THR HG21 1 1 8 8765 1 1 14 THR HG22 H 5.419 -8.930 -4.186 1.00 . A A . 14 THR HG22 1 1 8 8766 1 1 14 THR HG23 H 4.766 -8.417 -2.621 1.00 . A A . 14 THR HG23 1 1 8 8767 1 1 14 THR N N 5.856 -6.465 -1.094 1.00 . A A . 14 THR N 1 1 8 8768 1 1 14 THR O O 3.740 -5.480 -2.654 1.00 . A A . 14 THR O 1 1 8 8769 1 1 14 THR OG1 O 6.695 -6.636 -4.686 1.00 . A A . 14 THR OG1 1 1 8 8770 1 1 15 PHE C C 4.643 -2.334 -5.033 1.00 . A A . 15 PHE C 1 1 8 8771 1 1 15 PHE CA C 4.139 -2.928 -3.719 1.00 . A A . 15 PHE CA 1 1 8 8772 1 1 15 PHE CB C 3.783 -1.884 -2.645 1.00 . A A . 15 PHE CB 1 1 8 8773 1 1 15 PHE CD1 C 5.927 -1.148 -1.556 1.00 . A A . 15 PHE CD1 1 1 8 8774 1 1 15 PHE CD2 C 4.668 0.482 -2.862 1.00 . A A . 15 PHE CD2 1 1 8 8775 1 1 15 PHE CE1 C 6.863 -0.158 -1.235 1.00 . A A . 15 PHE CE1 1 1 8 8776 1 1 15 PHE CE2 C 5.594 1.479 -2.516 1.00 . A A . 15 PHE CE2 1 1 8 8777 1 1 15 PHE CG C 4.824 -0.828 -2.362 1.00 . A A . 15 PHE CG 1 1 8 8778 1 1 15 PHE CZ C 6.676 1.161 -1.678 1.00 . A A . 15 PHE CZ 1 1 8 8779 1 1 15 PHE H H 6.123 -3.511 -3.278 1.00 . A A . 15 PHE H 1 1 8 8780 1 1 15 PHE HA H 3.224 -3.483 -3.931 1.00 . A A . 15 PHE HA 1 1 8 8781 1 1 15 PHE HB2 H 2.861 -1.378 -2.917 1.00 . A A . 15 PHE HB2 1 1 8 8782 1 1 15 PHE HB3 H 3.590 -2.406 -1.709 1.00 . A A . 15 PHE HB3 1 1 8 8783 1 1 15 PHE HD1 H 6.045 -2.146 -1.158 1.00 . A A . 15 PHE HD1 1 1 8 8784 1 1 15 PHE HD2 H 3.840 0.726 -3.511 1.00 . A A . 15 PHE HD2 1 1 8 8785 1 1 15 PHE HE1 H 7.647 -0.382 -0.528 1.00 . A A . 15 PHE HE1 1 1 8 8786 1 1 15 PHE HE2 H 5.466 2.492 -2.875 1.00 . A A . 15 PHE HE2 1 1 8 8787 1 1 15 PHE HZ H 7.339 1.929 -1.323 1.00 . A A . 15 PHE HZ 1 1 8 8788 1 1 15 PHE N N 5.161 -3.834 -3.228 1.00 . A A . 15 PHE N 1 1 8 8789 1 1 15 PHE O O 5.668 -1.648 -5.062 1.00 . A A . 15 PHE O 1 1 8 8790 1 1 16 ASP C C 3.790 -0.548 -7.348 1.00 . A A . 16 ASP C 1 1 8 8791 1 1 16 ASP CA C 4.284 -1.996 -7.405 1.00 . A A . 16 ASP CA 1 1 8 8792 1 1 16 ASP CB C 3.833 -2.792 -8.635 1.00 . A A . 16 ASP CB 1 1 8 8793 1 1 16 ASP CG C 4.276 -2.100 -9.927 1.00 . A A . 16 ASP CG 1 1 8 8794 1 1 16 ASP H H 3.141 -3.228 -6.086 1.00 . A A . 16 ASP H 1 1 8 8795 1 1 16 ASP HA H 5.366 -1.992 -7.494 1.00 . A A . 16 ASP HA 1 1 8 8796 1 1 16 ASP HB2 H 4.299 -3.777 -8.609 1.00 . A A . 16 ASP HB2 1 1 8 8797 1 1 16 ASP HB3 H 2.754 -2.924 -8.625 1.00 . A A . 16 ASP HB3 1 1 8 8798 1 1 16 ASP N N 3.956 -2.637 -6.142 1.00 . A A . 16 ASP N 1 1 8 8799 1 1 16 ASP O O 2.593 -0.259 -7.321 1.00 . A A . 16 ASP O 1 1 8 8800 1 1 16 ASP OD1 O 4.659 -0.913 -9.866 1.00 . A A . 16 ASP OD1 1 1 8 8801 1 1 16 ASP OD2 O 4.166 -2.711 -11.012 1.00 . A A . 16 ASP OD2 1 1 8 8802 1 1 17 HIS C C 4.039 2.379 -8.385 1.00 . A A . 17 HIS C 1 1 8 8803 1 1 17 HIS CA C 4.604 1.777 -7.096 1.00 . A A . 17 HIS CA 1 1 8 8804 1 1 17 HIS CB C 6.021 2.269 -6.792 1.00 . A A . 17 HIS CB 1 1 8 8805 1 1 17 HIS CD2 C 5.263 4.586 -5.980 1.00 . A A . 17 HIS CD2 1 1 8 8806 1 1 17 HIS CE1 C 7.130 5.228 -5.022 1.00 . A A . 17 HIS CE1 1 1 8 8807 1 1 17 HIS CG C 6.197 3.602 -6.142 1.00 . A A . 17 HIS CG 1 1 8 8808 1 1 17 HIS H H 5.700 0.000 -7.350 1.00 . A A . 17 HIS H 1 1 8 8809 1 1 17 HIS HA H 3.939 1.967 -6.251 1.00 . A A . 17 HIS HA 1 1 8 8810 1 1 17 HIS HB2 H 6.489 1.556 -6.109 1.00 . A A . 17 HIS HB2 1 1 8 8811 1 1 17 HIS HB3 H 6.587 2.281 -7.718 1.00 . A A . 17 HIS HB3 1 1 8 8812 1 1 17 HIS HD1 H 8.205 3.462 -5.435 1.00 . A A . 17 HIS HD1 1 1 8 8813 1 1 17 HIS HD2 H 4.236 4.549 -6.307 1.00 . A A . 17 HIS HD2 1 1 8 8814 1 1 17 HIS HE1 H 7.842 5.782 -4.436 1.00 . A A . 17 HIS HE1 1 1 8 8815 1 1 17 HIS N N 4.759 0.353 -7.272 1.00 . A A . 17 HIS N 1 1 8 8816 1 1 17 HIS ND1 N 7.362 4.012 -5.540 1.00 . A A . 17 HIS ND1 1 1 8 8817 1 1 17 HIS NE2 N 5.867 5.619 -5.260 1.00 . A A . 17 HIS NE2 1 1 8 8818 1 1 17 HIS O O 3.017 3.064 -8.381 1.00 . A A . 17 HIS O 1 1 8 8819 1 1 18 LYS C C 2.994 1.979 -11.200 1.00 . A A . 18 LYS C 1 1 8 8820 1 1 18 LYS CA C 4.355 2.554 -10.822 1.00 . A A . 18 LYS CA 1 1 8 8821 1 1 18 LYS CB C 5.514 2.359 -11.808 1.00 . A A . 18 LYS CB 1 1 8 8822 1 1 18 LYS CD C 5.837 0.080 -12.772 1.00 . A A . 18 LYS CD 1 1 8 8823 1 1 18 LYS CE C 5.213 -1.003 -13.661 1.00 . A A . 18 LYS CE 1 1 8 8824 1 1 18 LYS CG C 5.231 1.464 -13.004 1.00 . A A . 18 LYS CG 1 1 8 8825 1 1 18 LYS H H 5.453 1.414 -9.431 1.00 . A A . 18 LYS H 1 1 8 8826 1 1 18 LYS HA H 4.235 3.624 -10.823 1.00 . A A . 18 LYS HA 1 1 8 8827 1 1 18 LYS HB2 H 5.833 3.330 -12.179 1.00 . A A . 18 LYS HB2 1 1 8 8828 1 1 18 LYS HB3 H 6.373 1.972 -11.287 1.00 . A A . 18 LYS HB3 1 1 8 8829 1 1 18 LYS HD2 H 6.909 0.149 -12.966 1.00 . A A . 18 LYS HD2 1 1 8 8830 1 1 18 LYS HD3 H 5.733 -0.175 -11.724 1.00 . A A . 18 LYS HD3 1 1 8 8831 1 1 18 LYS HE2 H 5.211 -0.672 -14.701 1.00 . A A . 18 LYS HE2 1 1 8 8832 1 1 18 LYS HE3 H 5.817 -1.909 -13.577 1.00 . A A . 18 LYS HE3 1 1 8 8833 1 1 18 LYS HG2 H 4.177 1.474 -13.251 1.00 . A A . 18 LYS HG2 1 1 8 8834 1 1 18 LYS HG3 H 5.745 1.905 -13.839 1.00 . A A . 18 LYS HG3 1 1 8 8835 1 1 18 LYS HZ1 H 3.212 -0.538 -13.366 1.00 . A A . 18 LYS HZ1 1 1 8 8836 1 1 18 LYS HZ2 H 3.468 -2.073 -13.828 1.00 . A A . 18 LYS HZ2 1 1 8 8837 1 1 18 LYS HZ3 H 3.839 -1.678 -12.284 1.00 . A A . 18 LYS HZ3 1 1 8 8838 1 1 18 LYS N N 4.726 2.106 -9.496 1.00 . A A . 18 LYS N 1 1 8 8839 1 1 18 LYS NZ N 3.837 -1.339 -13.248 1.00 . A A . 18 LYS NZ 1 1 8 8840 1 1 18 LYS O O 2.148 2.721 -11.673 1.00 . A A . 18 LYS O 1 1 8 8841 1 1 19 ALA C C 0.362 0.982 -10.402 1.00 . A A . 19 ALA C 1 1 8 8842 1 1 19 ALA CA C 1.416 0.107 -11.063 1.00 . A A . 19 ALA CA 1 1 8 8843 1 1 19 ALA CB C 1.324 -1.250 -10.391 1.00 . A A . 19 ALA CB 1 1 8 8844 1 1 19 ALA H H 3.560 0.139 -10.649 1.00 . A A . 19 ALA H 1 1 8 8845 1 1 19 ALA HA H 1.147 -0.030 -12.108 1.00 . A A . 19 ALA HA 1 1 8 8846 1 1 19 ALA HB1 H 0.278 -1.543 -10.314 1.00 . A A . 19 ALA HB1 1 1 8 8847 1 1 19 ALA HB2 H 1.851 -2.002 -10.966 1.00 . A A . 19 ALA HB2 1 1 8 8848 1 1 19 ALA HB3 H 1.725 -1.141 -9.390 1.00 . A A . 19 ALA HB3 1 1 8 8849 1 1 19 ALA N N 2.759 0.690 -10.960 1.00 . A A . 19 ALA N 1 1 8 8850 1 1 19 ALA O O -0.550 1.460 -11.072 1.00 . A A . 19 ALA O 1 1 8 8851 1 1 20 HIS C C -0.660 3.321 -9.022 1.00 . A A . 20 HIS C 1 1 8 8852 1 1 20 HIS CA C -0.569 1.931 -8.380 1.00 . A A . 20 HIS CA 1 1 8 8853 1 1 20 HIS CB C -0.269 1.986 -6.876 1.00 . A A . 20 HIS CB 1 1 8 8854 1 1 20 HIS CD2 C -1.676 0.545 -5.251 1.00 . A A . 20 HIS CD2 1 1 8 8855 1 1 20 HIS CE1 C -0.475 -1.277 -5.227 1.00 . A A . 20 HIS CE1 1 1 8 8856 1 1 20 HIS CG C -0.620 0.724 -6.113 1.00 . A A . 20 HIS CG 1 1 8 8857 1 1 20 HIS H H 1.251 0.812 -8.571 1.00 . A A . 20 HIS H 1 1 8 8858 1 1 20 HIS HA H -1.536 1.445 -8.512 1.00 . A A . 20 HIS HA 1 1 8 8859 1 1 20 HIS HB2 H 0.783 2.227 -6.717 1.00 . A A . 20 HIS HB2 1 1 8 8860 1 1 20 HIS HB3 H -0.862 2.790 -6.457 1.00 . A A . 20 HIS HB3 1 1 8 8861 1 1 20 HIS HD1 H 0.987 -0.594 -6.586 1.00 . A A . 20 HIS HD1 1 1 8 8862 1 1 20 HIS HD2 H -2.432 1.272 -5.010 1.00 . A A . 20 HIS HD2 1 1 8 8863 1 1 20 HIS HE1 H -0.112 -2.265 -4.997 1.00 . A A . 20 HIS HE1 1 1 8 8864 1 1 20 HIS N N 0.446 1.160 -9.081 1.00 . A A . 20 HIS N 1 1 8 8865 1 1 20 HIS ND1 N 0.124 -0.429 -6.080 1.00 . A A . 20 HIS ND1 1 1 8 8866 1 1 20 HIS NE2 N -1.582 -0.735 -4.693 1.00 . A A . 20 HIS NE2 1 1 8 8867 1 1 20 HIS O O -1.748 3.855 -9.213 1.00 . A A . 20 HIS O 1 1 8 8868 1 1 21 ALA C C -0.300 5.179 -11.387 1.00 . A A . 21 ALA C 1 1 8 8869 1 1 21 ALA CA C 0.515 5.178 -10.082 1.00 . A A . 21 ALA CA 1 1 8 8870 1 1 21 ALA CB C 1.961 5.623 -10.312 1.00 . A A . 21 ALA CB 1 1 8 8871 1 1 21 ALA H H 1.341 3.341 -9.294 1.00 . A A . 21 ALA H 1 1 8 8872 1 1 21 ALA HA H 0.058 5.908 -9.412 1.00 . A A . 21 ALA HA 1 1 8 8873 1 1 21 ALA HB1 H 1.961 6.656 -10.656 1.00 . A A . 21 ALA HB1 1 1 8 8874 1 1 21 ALA HB2 H 2.531 5.535 -9.387 1.00 . A A . 21 ALA HB2 1 1 8 8875 1 1 21 ALA HB3 H 2.442 5.011 -11.070 1.00 . A A . 21 ALA HB3 1 1 8 8876 1 1 21 ALA N N 0.484 3.883 -9.415 1.00 . A A . 21 ALA N 1 1 8 8877 1 1 21 ALA O O -1.209 5.976 -11.550 1.00 . A A . 21 ALA O 1 1 8 8878 1 1 22 GLU C C -2.042 3.848 -13.604 1.00 . A A . 22 GLU C 1 1 8 8879 1 1 22 GLU CA C -0.574 4.280 -13.664 1.00 . A A . 22 GLU CA 1 1 8 8880 1 1 22 GLU CB C 0.301 3.442 -14.621 1.00 . A A . 22 GLU CB 1 1 8 8881 1 1 22 GLU CD C 1.569 1.250 -14.949 1.00 . A A . 22 GLU CD 1 1 8 8882 1 1 22 GLU CG C 0.363 1.937 -14.312 1.00 . A A . 22 GLU CG 1 1 8 8883 1 1 22 GLU H H 0.648 3.573 -12.062 1.00 . A A . 22 GLU H 1 1 8 8884 1 1 22 GLU HA H -0.555 5.304 -14.041 1.00 . A A . 22 GLU HA 1 1 8 8885 1 1 22 GLU HB2 H -0.061 3.565 -15.643 1.00 . A A . 22 GLU HB2 1 1 8 8886 1 1 22 GLU HB3 H 1.316 3.839 -14.579 1.00 . A A . 22 GLU HB3 1 1 8 8887 1 1 22 GLU HG2 H 0.443 1.798 -13.244 1.00 . A A . 22 GLU HG2 1 1 8 8888 1 1 22 GLU HG3 H -0.545 1.450 -14.665 1.00 . A A . 22 GLU HG3 1 1 8 8889 1 1 22 GLU N N 0.002 4.291 -12.325 1.00 . A A . 22 GLU N 1 1 8 8890 1 1 22 GLU O O -2.895 4.432 -14.269 1.00 . A A . 22 GLU O 1 1 8 8891 1 1 22 GLU OE1 O 1.882 1.599 -16.105 1.00 . A A . 22 GLU OE1 1 1 8 8892 1 1 22 GLU OE2 O 2.170 0.382 -14.270 1.00 . A A . 22 GLU OE2 1 1 8 8893 1 1 23 LYS C C -4.550 3.478 -11.914 1.00 . A A . 23 LYS C 1 1 8 8894 1 1 23 LYS CA C -3.681 2.368 -12.513 1.00 . A A . 23 LYS CA 1 1 8 8895 1 1 23 LYS CB C -3.591 1.176 -11.547 1.00 . A A . 23 LYS CB 1 1 8 8896 1 1 23 LYS CD C -3.676 -0.904 -12.990 1.00 . A A . 23 LYS CD 1 1 8 8897 1 1 23 LYS CE C -4.384 -1.925 -12.085 1.00 . A A . 23 LYS CE 1 1 8 8898 1 1 23 LYS CG C -2.792 0.002 -12.140 1.00 . A A . 23 LYS CG 1 1 8 8899 1 1 23 LYS H H -1.582 2.356 -12.311 1.00 . A A . 23 LYS H 1 1 8 8900 1 1 23 LYS HA H -4.136 2.048 -13.451 1.00 . A A . 23 LYS HA 1 1 8 8901 1 1 23 LYS HB2 H -3.088 1.506 -10.639 1.00 . A A . 23 LYS HB2 1 1 8 8902 1 1 23 LYS HB3 H -4.595 0.854 -11.271 1.00 . A A . 23 LYS HB3 1 1 8 8903 1 1 23 LYS HD2 H -4.373 -0.264 -13.531 1.00 . A A . 23 LYS HD2 1 1 8 8904 1 1 23 LYS HD3 H -3.026 -1.409 -13.705 1.00 . A A . 23 LYS HD3 1 1 8 8905 1 1 23 LYS HE2 H -3.636 -2.526 -11.562 1.00 . A A . 23 LYS HE2 1 1 8 8906 1 1 23 LYS HE3 H -4.986 -1.412 -11.332 1.00 . A A . 23 LYS HE3 1 1 8 8907 1 1 23 LYS HG2 H -1.981 0.365 -12.773 1.00 . A A . 23 LYS HG2 1 1 8 8908 1 1 23 LYS HG3 H -2.338 -0.570 -11.329 1.00 . A A . 23 LYS HG3 1 1 8 8909 1 1 23 LYS HZ1 H -5.638 -3.501 -12.118 1.00 . A A . 23 LYS HZ1 1 1 8 8910 1 1 23 LYS HZ2 H -6.038 -2.375 -13.245 1.00 . A A . 23 LYS HZ2 1 1 8 8911 1 1 23 LYS HZ3 H -4.751 -3.397 -13.494 1.00 . A A . 23 LYS HZ3 1 1 8 8912 1 1 23 LYS N N -2.338 2.840 -12.782 1.00 . A A . 23 LYS N 1 1 8 8913 1 1 23 LYS NZ N -5.263 -2.855 -12.817 1.00 . A A . 23 LYS NZ 1 1 8 8914 1 1 23 LYS O O -5.666 3.699 -12.376 1.00 . A A . 23 LYS O 1 1 8 8915 1 1 24 LEU C C -4.713 6.465 -10.386 1.00 . A A . 24 LEU C 1 1 8 8916 1 1 24 LEU CA C -4.892 4.992 -10.010 1.00 . A A . 24 LEU CA 1 1 8 8917 1 1 24 LEU CB C -4.578 4.768 -8.525 1.00 . A A . 24 LEU CB 1 1 8 8918 1 1 24 LEU CD1 C -3.968 3.152 -6.715 1.00 . A A . 24 LEU CD1 1 1 8 8919 1 1 24 LEU CD2 C -6.018 2.725 -8.082 1.00 . A A . 24 LEU CD2 1 1 8 8920 1 1 24 LEU CG C -4.596 3.288 -8.101 1.00 . A A . 24 LEU CG 1 1 8 8921 1 1 24 LEU H H -3.140 3.884 -10.509 1.00 . A A . 24 LEU H 1 1 8 8922 1 1 24 LEU HA H -5.945 4.749 -10.153 1.00 . A A . 24 LEU HA 1 1 8 8923 1 1 24 LEU HB2 H -3.602 5.197 -8.300 1.00 . A A . 24 LEU HB2 1 1 8 8924 1 1 24 LEU HB3 H -5.321 5.304 -7.937 1.00 . A A . 24 LEU HB3 1 1 8 8925 1 1 24 LEU HD11 H -4.468 3.801 -6.005 1.00 . A A . 24 LEU HD11 1 1 8 8926 1 1 24 LEU HD12 H -4.040 2.118 -6.381 1.00 . A A . 24 LEU HD12 1 1 8 8927 1 1 24 LEU HD13 H -2.924 3.447 -6.763 1.00 . A A . 24 LEU HD13 1 1 8 8928 1 1 24 LEU HD21 H -6.445 2.746 -9.084 1.00 . A A . 24 LEU HD21 1 1 8 8929 1 1 24 LEU HD22 H -5.982 1.693 -7.740 1.00 . A A . 24 LEU HD22 1 1 8 8930 1 1 24 LEU HD23 H -6.644 3.306 -7.405 1.00 . A A . 24 LEU HD23 1 1 8 8931 1 1 24 LEU HG H -3.999 2.677 -8.775 1.00 . A A . 24 LEU HG 1 1 8 8932 1 1 24 LEU N N -4.071 4.118 -10.842 1.00 . A A . 24 LEU N 1 1 8 8933 1 1 24 LEU O O -5.697 7.192 -10.500 1.00 . A A . 24 LEU O 1 1 8 8934 1 1 25 GLY C C -1.823 8.664 -10.299 1.00 . A A . 25 GLY C 1 1 8 8935 1 1 25 GLY CA C -3.120 8.259 -10.987 1.00 . A A . 25 GLY CA 1 1 8 8936 1 1 25 GLY H H -2.673 6.277 -10.505 1.00 . A A . 25 GLY H 1 1 8 8937 1 1 25 GLY HA2 H -2.961 8.252 -12.063 1.00 . A A . 25 GLY HA2 1 1 8 8938 1 1 25 GLY HA3 H -3.903 8.978 -10.743 1.00 . A A . 25 GLY HA3 1 1 8 8939 1 1 25 GLY N N -3.466 6.916 -10.555 1.00 . A A . 25 GLY N 1 1 8 8940 1 1 25 GLY O O -0.749 8.638 -10.895 1.00 . A A . 25 GLY O 1 1 8 8941 1 1 26 CYS C C -1.564 9.850 -6.804 1.00 . A A . 26 CYS C 1 1 8 8942 1 1 26 CYS CA C -0.888 9.421 -8.102 1.00 . A A . 26 CYS CA 1 1 8 8943 1 1 26 CYS CB C -0.074 10.577 -8.658 1.00 . A A . 26 CYS CB 1 1 8 8944 1 1 26 CYS H H -2.893 8.983 -8.657 1.00 . A A . 26 CYS H 1 1 8 8945 1 1 26 CYS HA H -0.258 8.558 -7.901 1.00 . A A . 26 CYS HA 1 1 8 8946 1 1 26 CYS HB2 H -0.019 10.587 -9.742 1.00 . A A . 26 CYS HB2 1 1 8 8947 1 1 26 CYS HB3 H -0.517 11.530 -8.361 1.00 . A A . 26 CYS HB3 1 1 8 8948 1 1 26 CYS N N -1.950 9.006 -9.018 1.00 . A A . 26 CYS N 1 1 8 8949 1 1 26 CYS O O -1.218 9.411 -5.704 1.00 . A A . 26 CYS O 1 1 8 8950 1 1 26 CYS SG S 1.620 10.519 -8.023 1.00 . A A . 26 CYS SG 1 1 8 8951 1 1 27 ASP C C -3.844 10.411 -4.948 1.00 . A A . 27 ASP C 1 1 8 8952 1 1 27 ASP CA C -3.406 11.392 -6.024 1.00 . A A . 27 ASP CA 1 1 8 8953 1 1 27 ASP CB C -4.653 11.975 -6.726 1.00 . A A . 27 ASP CB 1 1 8 8954 1 1 27 ASP CG C -4.402 12.529 -8.127 1.00 . A A . 27 ASP CG 1 1 8 8955 1 1 27 ASP H H -2.856 10.844 -7.971 1.00 . A A . 27 ASP H 1 1 8 8956 1 1 27 ASP HA H -2.818 12.201 -5.587 1.00 . A A . 27 ASP HA 1 1 8 8957 1 1 27 ASP HB2 H -5.414 11.203 -6.838 1.00 . A A . 27 ASP HB2 1 1 8 8958 1 1 27 ASP HB3 H -5.068 12.763 -6.097 1.00 . A A . 27 ASP HB3 1 1 8 8959 1 1 27 ASP N N -2.589 10.682 -6.999 1.00 . A A . 27 ASP N 1 1 8 8960 1 1 27 ASP O O -3.791 10.684 -3.753 1.00 . A A . 27 ASP O 1 1 8 8961 1 1 27 ASP OD1 O -3.964 11.712 -8.974 1.00 . A A . 27 ASP OD1 1 1 8 8962 1 1 27 ASP OD2 O -4.657 13.734 -8.332 1.00 . A A . 27 ASP OD2 1 1 8 8963 1 1 28 ALA C C -3.839 7.794 -3.451 1.00 . A A . 28 ALA C 1 1 8 8964 1 1 28 ALA CA C -4.672 8.067 -4.706 1.00 . A A . 28 ALA CA 1 1 8 8965 1 1 28 ALA CB C -4.626 6.880 -5.668 1.00 . A A . 28 ALA CB 1 1 8 8966 1 1 28 ALA H H -4.211 9.169 -6.445 1.00 . A A . 28 ALA H 1 1 8 8967 1 1 28 ALA HA H -5.706 8.241 -4.416 1.00 . A A . 28 ALA HA 1 1 8 8968 1 1 28 ALA HB1 H -3.598 6.680 -5.971 1.00 . A A . 28 ALA HB1 1 1 8 8969 1 1 28 ALA HB2 H -5.035 5.999 -5.182 1.00 . A A . 28 ALA HB2 1 1 8 8970 1 1 28 ALA HB3 H -5.228 7.109 -6.547 1.00 . A A . 28 ALA HB3 1 1 8 8971 1 1 28 ALA N N -4.241 9.237 -5.440 1.00 . A A . 28 ALA N 1 1 8 8972 1 1 28 ALA O O -4.383 7.308 -2.460 1.00 . A A . 28 ALA O 1 1 8 8973 1 1 29 CYS C C -1.088 9.424 -2.045 1.00 . A A . 29 CYS C 1 1 8 8974 1 1 29 CYS CA C -1.659 8.035 -2.338 1.00 . A A . 29 CYS CA 1 1 8 8975 1 1 29 CYS CB C -0.546 7.048 -2.571 1.00 . A A . 29 CYS CB 1 1 8 8976 1 1 29 CYS H H -2.168 8.478 -4.364 1.00 . A A . 29 CYS H 1 1 8 8977 1 1 29 CYS HA H -2.210 7.715 -1.452 1.00 . A A . 29 CYS HA 1 1 8 8978 1 1 29 CYS HB2 H 0.075 7.394 -3.398 1.00 . A A . 29 CYS HB2 1 1 8 8979 1 1 29 CYS HB3 H 0.061 6.987 -1.671 1.00 . A A . 29 CYS HB3 1 1 8 8980 1 1 29 CYS N N -2.535 8.084 -3.503 1.00 . A A . 29 CYS N 1 1 8 8981 1 1 29 CYS O O -1.087 9.878 -0.902 1.00 . A A . 29 CYS O 1 1 8 8982 1 1 29 CYS SG S -1.192 5.390 -2.938 1.00 . A A . 29 CYS SG 1 1 8 8983 1 1 30 HIS C C -0.689 12.518 -3.181 1.00 . A A . 30 HIS C 1 1 8 8984 1 1 30 HIS CA C 0.206 11.319 -2.903 1.00 . A A . 30 HIS CA 1 1 8 8985 1 1 30 HIS CB C 1.416 11.295 -3.836 1.00 . A A . 30 HIS CB 1 1 8 8986 1 1 30 HIS CD2 C 2.838 9.236 -4.290 1.00 . A A . 30 HIS CD2 1 1 8 8987 1 1 30 HIS CE1 C 4.147 9.249 -2.546 1.00 . A A . 30 HIS CE1 1 1 8 8988 1 1 30 HIS CG C 2.415 10.234 -3.474 1.00 . A A . 30 HIS CG 1 1 8 8989 1 1 30 HIS H H -0.672 9.733 -4.008 1.00 . A A . 30 HIS H 1 1 8 8990 1 1 30 HIS HA H 0.578 11.412 -1.882 1.00 . A A . 30 HIS HA 1 1 8 8991 1 1 30 HIS HB2 H 1.068 11.150 -4.860 1.00 . A A . 30 HIS HB2 1 1 8 8992 1 1 30 HIS HB3 H 1.907 12.268 -3.798 1.00 . A A . 30 HIS HB3 1 1 8 8993 1 1 30 HIS HD1 H 3.214 10.951 -1.669 1.00 . A A . 30 HIS HD1 1 1 8 8994 1 1 30 HIS HD2 H 2.429 9.017 -5.253 1.00 . A A . 30 HIS HD2 1 1 8 8995 1 1 30 HIS HE1 H 4.970 8.998 -1.896 1.00 . A A . 30 HIS HE1 1 1 8 8996 1 1 30 HIS N N -0.549 10.090 -3.067 1.00 . A A . 30 HIS N 1 1 8 8997 1 1 30 HIS ND1 N 3.242 10.242 -2.380 1.00 . A A . 30 HIS ND1 1 1 8 8998 1 1 30 HIS NE2 N 3.942 8.616 -3.707 1.00 . A A . 30 HIS NE2 1 1 8 8999 1 1 30 HIS O O -0.550 13.157 -4.221 1.00 . A A . 30 HIS O 1 1 8 9000 1 1 31 GLU C C -1.929 15.210 -2.778 1.00 . A A . 31 GLU C 1 1 8 9001 1 1 31 GLU CA C -2.566 13.888 -2.354 1.00 . A A . 31 GLU CA 1 1 8 9002 1 1 31 GLU CB C -3.289 14.090 -1.010 1.00 . A A . 31 GLU CB 1 1 8 9003 1 1 31 GLU CD C -5.559 13.169 -0.406 1.00 . A A . 31 GLU CD 1 1 8 9004 1 1 31 GLU CG C -4.081 12.846 -0.608 1.00 . A A . 31 GLU CG 1 1 8 9005 1 1 31 GLU H H -1.601 12.204 -1.429 1.00 . A A . 31 GLU H 1 1 8 9006 1 1 31 GLU HA H -3.292 13.596 -3.113 1.00 . A A . 31 GLU HA 1 1 8 9007 1 1 31 GLU HB2 H -2.596 14.319 -0.203 1.00 . A A . 31 GLU HB2 1 1 8 9008 1 1 31 GLU HB3 H -3.975 14.933 -1.120 1.00 . A A . 31 GLU HB3 1 1 8 9009 1 1 31 GLU HG2 H -3.977 12.109 -1.397 1.00 . A A . 31 GLU HG2 1 1 8 9010 1 1 31 GLU HG3 H -3.678 12.427 0.314 1.00 . A A . 31 GLU HG3 1 1 8 9011 1 1 31 GLU N N -1.567 12.828 -2.228 1.00 . A A . 31 GLU N 1 1 8 9012 1 1 31 GLU O O -2.190 15.748 -3.850 1.00 . A A . 31 GLU O 1 1 8 9013 1 1 31 GLU OE1 O -6.183 13.608 -1.394 1.00 . A A . 31 GLU OE1 1 1 8 9014 1 1 31 GLU OE2 O -6.023 13.011 0.743 1.00 . A A . 31 GLU OE2 1 1 8 9015 1 1 32 GLY C C 0.670 17.024 -2.953 1.00 . A A . 32 GLY C 1 1 8 9016 1 1 32 GLY CA C -0.527 17.068 -2.011 1.00 . A A . 32 GLY CA 1 1 8 9017 1 1 32 GLY H H -1.009 15.213 -1.022 1.00 . A A . 32 GLY H 1 1 8 9018 1 1 32 GLY HA2 H -1.268 17.768 -2.402 1.00 . A A . 32 GLY HA2 1 1 8 9019 1 1 32 GLY HA3 H -0.202 17.423 -1.033 1.00 . A A . 32 GLY HA3 1 1 8 9020 1 1 32 GLY N N -1.120 15.749 -1.870 1.00 . A A . 32 GLY N 1 1 8 9021 1 1 32 GLY O O 0.697 17.701 -3.978 1.00 . A A . 32 GLY O 1 1 8 9022 1 1 33 THR C C 3.679 14.905 -2.724 1.00 . A A . 33 THR C 1 1 8 9023 1 1 33 THR CA C 2.926 16.100 -3.327 1.00 . A A . 33 THR CA 1 1 8 9024 1 1 33 THR CB C 3.734 17.414 -3.268 1.00 . A A . 33 THR CB 1 1 8 9025 1 1 33 THR CG2 C 4.142 17.809 -1.845 1.00 . A A . 33 THR CG2 1 1 8 9026 1 1 33 THR H H 1.624 15.720 -1.718 1.00 . A A . 33 THR H 1 1 8 9027 1 1 33 THR HA H 2.656 15.897 -4.363 1.00 . A A . 33 THR HA 1 1 8 9028 1 1 33 THR HB H 3.132 18.227 -3.677 1.00 . A A . 33 THR HB 1 1 8 9029 1 1 33 THR HG1 H 4.650 17.404 -4.986 1.00 . A A . 33 THR HG1 1 1 8 9030 1 1 33 THR HG21 H 4.816 17.067 -1.418 1.00 . A A . 33 THR HG21 1 1 8 9031 1 1 33 THR HG22 H 4.658 18.769 -1.875 1.00 . A A . 33 THR HG22 1 1 8 9032 1 1 33 THR HG23 H 3.263 17.905 -1.208 1.00 . A A . 33 THR HG23 1 1 8 9033 1 1 33 THR N N 1.688 16.247 -2.578 1.00 . A A . 33 THR N 1 1 8 9034 1 1 33 THR O O 3.564 14.677 -1.517 1.00 . A A . 33 THR O 1 1 8 9035 1 1 33 THR OG1 O 4.897 17.323 -4.060 1.00 . A A . 33 THR OG1 1 1 8 9036 1 1 34 PRO C C 6.471 13.407 -2.383 1.00 . A A . 34 PRO C 1 1 8 9037 1 1 34 PRO CA C 5.153 12.968 -3.017 1.00 . A A . 34 PRO CA 1 1 8 9038 1 1 34 PRO CB C 5.413 12.069 -4.217 1.00 . A A . 34 PRO CB 1 1 8 9039 1 1 34 PRO CD C 4.413 14.128 -4.974 1.00 . A A . 34 PRO CD 1 1 8 9040 1 1 34 PRO CG C 5.376 13.022 -5.398 1.00 . A A . 34 PRO CG 1 1 8 9041 1 1 34 PRO HA H 4.575 12.403 -2.296 1.00 . A A . 34 PRO HA 1 1 8 9042 1 1 34 PRO HB2 H 6.363 11.551 -4.123 1.00 . A A . 34 PRO HB2 1 1 8 9043 1 1 34 PRO HB3 H 4.611 11.352 -4.350 1.00 . A A . 34 PRO HB3 1 1 8 9044 1 1 34 PRO HD2 H 4.755 15.087 -5.363 1.00 . A A . 34 PRO HD2 1 1 8 9045 1 1 34 PRO HD3 H 3.416 13.902 -5.356 1.00 . A A . 34 PRO HD3 1 1 8 9046 1 1 34 PRO HG2 H 6.372 13.432 -5.547 1.00 . A A . 34 PRO HG2 1 1 8 9047 1 1 34 PRO HG3 H 5.019 12.492 -6.275 1.00 . A A . 34 PRO HG3 1 1 8 9048 1 1 34 PRO N N 4.394 14.099 -3.522 1.00 . A A . 34 PRO N 1 1 8 9049 1 1 34 PRO O O 7.288 14.056 -3.032 1.00 . A A . 34 PRO O 1 1 8 9050 1 1 35 ALA C C 8.124 12.133 0.637 1.00 . A A . 35 ALA C 1 1 8 9051 1 1 35 ALA CA C 7.957 13.222 -0.426 1.00 . A A . 35 ALA CA 1 1 8 9052 1 1 35 ALA CB C 7.942 14.632 0.175 1.00 . A A . 35 ALA CB 1 1 8 9053 1 1 35 ALA H H 5.978 12.504 -0.631 1.00 . A A . 35 ALA H 1 1 8 9054 1 1 35 ALA HA H 8.795 13.148 -1.120 1.00 . A A . 35 ALA HA 1 1 8 9055 1 1 35 ALA HB1 H 7.821 15.367 -0.622 1.00 . A A . 35 ALA HB1 1 1 8 9056 1 1 35 ALA HB2 H 7.113 14.728 0.877 1.00 . A A . 35 ALA HB2 1 1 8 9057 1 1 35 ALA HB3 H 8.881 14.822 0.695 1.00 . A A . 35 ALA HB3 1 1 8 9058 1 1 35 ALA N N 6.703 12.997 -1.132 1.00 . A A . 35 ALA N 1 1 8 9059 1 1 35 ALA O O 8.316 12.437 1.811 1.00 . A A . 35 ALA O 1 1 8 9060 1 1 36 LYS C C 6.481 9.715 1.773 1.00 . A A . 36 LYS C 1 1 8 9061 1 1 36 LYS CA C 7.823 9.682 1.030 1.00 . A A . 36 LYS CA 1 1 8 9062 1 1 36 LYS CB C 8.994 9.434 2.004 1.00 . A A . 36 LYS CB 1 1 8 9063 1 1 36 LYS CD C 11.027 7.944 2.452 1.00 . A A . 36 LYS CD 1 1 8 9064 1 1 36 LYS CE C 10.260 7.079 3.470 1.00 . A A . 36 LYS CE 1 1 8 9065 1 1 36 LYS CG C 10.076 8.527 1.396 1.00 . A A . 36 LYS CG 1 1 8 9066 1 1 36 LYS H H 7.909 10.747 -0.794 1.00 . A A . 36 LYS H 1 1 8 9067 1 1 36 LYS HA H 7.767 8.841 0.340 1.00 . A A . 36 LYS HA 1 1 8 9068 1 1 36 LYS HB2 H 9.464 10.362 2.325 1.00 . A A . 36 LYS HB2 1 1 8 9069 1 1 36 LYS HB3 H 8.581 8.968 2.896 1.00 . A A . 36 LYS HB3 1 1 8 9070 1 1 36 LYS HD2 H 11.771 7.350 1.917 1.00 . A A . 36 LYS HD2 1 1 8 9071 1 1 36 LYS HD3 H 11.546 8.759 2.962 1.00 . A A . 36 LYS HD3 1 1 8 9072 1 1 36 LYS HE2 H 10.202 7.587 4.432 1.00 . A A . 36 LYS HE2 1 1 8 9073 1 1 36 LYS HE3 H 9.243 6.921 3.114 1.00 . A A . 36 LYS HE3 1 1 8 9074 1 1 36 LYS HG2 H 9.630 7.693 0.857 1.00 . A A . 36 LYS HG2 1 1 8 9075 1 1 36 LYS HG3 H 10.655 9.117 0.684 1.00 . A A . 36 LYS HG3 1 1 8 9076 1 1 36 LYS HZ1 H 11.623 5.639 4.207 1.00 . A A . 36 LYS HZ1 1 1 8 9077 1 1 36 LYS HZ2 H 10.044 5.108 3.919 1.00 . A A . 36 LYS HZ2 1 1 8 9078 1 1 36 LYS HZ3 H 10.972 5.320 2.688 1.00 . A A . 36 LYS HZ3 1 1 8 9079 1 1 36 LYS N N 8.012 10.870 0.201 1.00 . A A . 36 LYS N 1 1 8 9080 1 1 36 LYS NZ N 10.812 5.719 3.618 1.00 . A A . 36 LYS NZ 1 1 8 9081 1 1 36 LYS O O 6.053 10.758 2.256 1.00 . A A . 36 LYS O 1 1 8 9082 1 1 37 ILE C C 5.097 7.871 4.101 1.00 . A A . 37 ILE C 1 1 8 9083 1 1 37 ILE CA C 4.647 8.405 2.746 1.00 . A A . 37 ILE CA 1 1 8 9084 1 1 37 ILE CB C 3.586 7.486 2.116 1.00 . A A . 37 ILE CB 1 1 8 9085 1 1 37 ILE CD1 C 2.255 7.182 -0.067 1.00 . A A . 37 ILE CD1 1 1 8 9086 1 1 37 ILE CG1 C 3.471 7.801 0.621 1.00 . A A . 37 ILE CG1 1 1 8 9087 1 1 37 ILE CG2 C 2.245 7.659 2.844 1.00 . A A . 37 ILE CG2 1 1 8 9088 1 1 37 ILE H H 6.138 7.741 1.365 1.00 . A A . 37 ILE H 1 1 8 9089 1 1 37 ILE HA H 4.185 9.375 2.914 1.00 . A A . 37 ILE HA 1 1 8 9090 1 1 37 ILE HB H 3.903 6.451 2.217 1.00 . A A . 37 ILE HB 1 1 8 9091 1 1 37 ILE HD11 H 2.343 7.343 -1.141 1.00 . A A . 37 ILE HD11 1 1 8 9092 1 1 37 ILE HD12 H 2.203 6.113 0.138 1.00 . A A . 37 ILE HD12 1 1 8 9093 1 1 37 ILE HD13 H 1.342 7.664 0.279 1.00 . A A . 37 ILE HD13 1 1 8 9094 1 1 37 ILE HG12 H 3.416 8.876 0.494 1.00 . A A . 37 ILE HG12 1 1 8 9095 1 1 37 ILE HG13 H 4.377 7.432 0.145 1.00 . A A . 37 ILE HG13 1 1 8 9096 1 1 37 ILE HG21 H 2.365 7.471 3.911 1.00 . A A . 37 ILE HG21 1 1 8 9097 1 1 37 ILE HG22 H 1.869 8.673 2.702 1.00 . A A . 37 ILE HG22 1 1 8 9098 1 1 37 ILE HG23 H 1.511 6.950 2.465 1.00 . A A . 37 ILE HG23 1 1 8 9099 1 1 37 ILE N N 5.812 8.558 1.869 1.00 . A A . 37 ILE N 1 1 8 9100 1 1 37 ILE O O 4.567 8.254 5.138 1.00 . A A . 37 ILE O 1 1 8 9101 1 1 38 ALA C C 5.521 5.249 5.685 1.00 . A A . 38 ALA C 1 1 8 9102 1 1 38 ALA CA C 6.597 6.202 5.175 1.00 . A A . 38 ALA CA 1 1 8 9103 1 1 38 ALA CB C 7.176 7.117 6.255 1.00 . A A . 38 ALA CB 1 1 8 9104 1 1 38 ALA H H 6.409 6.744 3.129 1.00 . A A . 38 ALA H 1 1 8 9105 1 1 38 ALA HA H 7.418 5.590 4.801 1.00 . A A . 38 ALA HA 1 1 8 9106 1 1 38 ALA HB1 H 7.893 7.792 5.789 1.00 . A A . 38 ALA HB1 1 1 8 9107 1 1 38 ALA HB2 H 6.394 7.698 6.741 1.00 . A A . 38 ALA HB2 1 1 8 9108 1 1 38 ALA HB3 H 7.680 6.509 7.007 1.00 . A A . 38 ALA HB3 1 1 8 9109 1 1 38 ALA N N 6.080 6.969 4.051 1.00 . A A . 38 ALA N 1 1 8 9110 1 1 38 ALA O O 4.885 5.472 6.713 1.00 . A A . 38 ALA O 1 1 8 9111 1 1 39 ILE C C 5.004 2.215 6.261 1.00 . A A . 39 ILE C 1 1 8 9112 1 1 39 ILE CA C 4.343 3.158 5.259 1.00 . A A . 39 ILE CA 1 1 8 9113 1 1 39 ILE CB C 3.855 2.457 3.992 1.00 . A A . 39 ILE CB 1 1 8 9114 1 1 39 ILE CD1 C 1.736 3.943 3.609 1.00 . A A . 39 ILE CD1 1 1 8 9115 1 1 39 ILE CG1 C 3.102 3.466 3.106 1.00 . A A . 39 ILE CG1 1 1 8 9116 1 1 39 ILE CG2 C 3.008 1.221 4.317 1.00 . A A . 39 ILE CG2 1 1 8 9117 1 1 39 ILE H H 5.849 4.061 4.072 1.00 . A A . 39 ILE H 1 1 8 9118 1 1 39 ILE HA H 3.470 3.613 5.726 1.00 . A A . 39 ILE HA 1 1 8 9119 1 1 39 ILE HB H 4.735 2.120 3.444 1.00 . A A . 39 ILE HB 1 1 8 9120 1 1 39 ILE HD11 H 1.076 3.101 3.803 1.00 . A A . 39 ILE HD11 1 1 8 9121 1 1 39 ILE HD12 H 1.845 4.543 4.511 1.00 . A A . 39 ILE HD12 1 1 8 9122 1 1 39 ILE HD13 H 1.278 4.562 2.839 1.00 . A A . 39 ILE HD13 1 1 8 9123 1 1 39 ILE HG12 H 3.715 4.350 2.964 1.00 . A A . 39 ILE HG12 1 1 8 9124 1 1 39 ILE HG13 H 2.966 3.012 2.138 1.00 . A A . 39 ILE HG13 1 1 8 9125 1 1 39 ILE HG21 H 2.156 1.497 4.934 1.00 . A A . 39 ILE HG21 1 1 8 9126 1 1 39 ILE HG22 H 2.659 0.758 3.400 1.00 . A A . 39 ILE HG22 1 1 8 9127 1 1 39 ILE HG23 H 3.607 0.481 4.845 1.00 . A A . 39 ILE HG23 1 1 8 9128 1 1 39 ILE N N 5.291 4.193 4.905 1.00 . A A . 39 ILE N 1 1 8 9129 1 1 39 ILE O O 5.865 1.411 5.910 1.00 . A A . 39 ILE O 1 1 8 9130 1 1 40 ASP C C 3.676 0.802 9.114 1.00 . A A . 40 ASP C 1 1 8 9131 1 1 40 ASP CA C 4.925 1.545 8.663 1.00 . A A . 40 ASP CA 1 1 8 9132 1 1 40 ASP CB C 5.357 2.456 9.826 1.00 . A A . 40 ASP CB 1 1 8 9133 1 1 40 ASP CG C 6.634 3.262 9.615 1.00 . A A . 40 ASP CG 1 1 8 9134 1 1 40 ASP H H 3.732 2.926 7.584 1.00 . A A . 40 ASP H 1 1 8 9135 1 1 40 ASP HA H 5.722 0.841 8.416 1.00 . A A . 40 ASP HA 1 1 8 9136 1 1 40 ASP HB2 H 4.551 3.149 10.058 1.00 . A A . 40 ASP HB2 1 1 8 9137 1 1 40 ASP HB3 H 5.535 1.841 10.705 1.00 . A A . 40 ASP HB3 1 1 8 9138 1 1 40 ASP N N 4.533 2.326 7.499 1.00 . A A . 40 ASP N 1 1 8 9139 1 1 40 ASP O O 2.577 1.140 8.685 1.00 . A A . 40 ASP O 1 1 8 9140 1 1 40 ASP OD1 O 7.126 3.329 8.469 1.00 . A A . 40 ASP OD1 1 1 8 9141 1 1 40 ASP OD2 O 7.099 3.799 10.642 1.00 . A A . 40 ASP OD2 1 1 8 9142 1 1 41 LYS C C 1.484 -0.037 10.923 1.00 . A A . 41 LYS C 1 1 8 9143 1 1 41 LYS CA C 2.706 -0.911 10.604 1.00 . A A . 41 LYS CA 1 1 8 9144 1 1 41 LYS CB C 3.226 -1.751 11.779 1.00 . A A . 41 LYS CB 1 1 8 9145 1 1 41 LYS CD C 3.229 -0.899 14.178 1.00 . A A . 41 LYS CD 1 1 8 9146 1 1 41 LYS CE C 3.964 -0.048 15.227 1.00 . A A . 41 LYS CE 1 1 8 9147 1 1 41 LYS CG C 4.023 -1.005 12.867 1.00 . A A . 41 LYS CG 1 1 8 9148 1 1 41 LYS H H 4.742 -0.363 10.361 1.00 . A A . 41 LYS H 1 1 8 9149 1 1 41 LYS HA H 2.369 -1.624 9.852 1.00 . A A . 41 LYS HA 1 1 8 9150 1 1 41 LYS HB2 H 2.403 -2.310 12.213 1.00 . A A . 41 LYS HB2 1 1 8 9151 1 1 41 LYS HB3 H 3.907 -2.477 11.339 1.00 . A A . 41 LYS HB3 1 1 8 9152 1 1 41 LYS HD2 H 2.259 -0.440 13.982 1.00 . A A . 41 LYS HD2 1 1 8 9153 1 1 41 LYS HD3 H 3.043 -1.901 14.572 1.00 . A A . 41 LYS HD3 1 1 8 9154 1 1 41 LYS HE2 H 4.116 0.960 14.834 1.00 . A A . 41 LYS HE2 1 1 8 9155 1 1 41 LYS HE3 H 3.333 0.028 16.116 1.00 . A A . 41 LYS HE3 1 1 8 9156 1 1 41 LYS HG2 H 4.926 -1.591 13.045 1.00 . A A . 41 LYS HG2 1 1 8 9157 1 1 41 LYS HG3 H 4.328 -0.016 12.526 1.00 . A A . 41 LYS HG3 1 1 8 9158 1 1 41 LYS HZ1 H 5.891 -0.661 14.819 1.00 . A A . 41 LYS HZ1 1 1 8 9159 1 1 41 LYS HZ2 H 5.701 -0.043 16.326 1.00 . A A . 41 LYS HZ2 1 1 8 9160 1 1 41 LYS HZ3 H 5.151 -1.554 15.986 1.00 . A A . 41 LYS HZ3 1 1 8 9161 1 1 41 LYS N N 3.811 -0.144 10.045 1.00 . A A . 41 LYS N 1 1 8 9162 1 1 41 LYS NZ N 5.271 -0.621 15.616 1.00 . A A . 41 LYS NZ 1 1 8 9163 1 1 41 LYS O O 0.418 -0.207 10.335 1.00 . A A . 41 LYS O 1 1 8 9164 1 1 42 LYS C C 0.016 2.693 11.046 1.00 . A A . 42 LYS C 1 1 8 9165 1 1 42 LYS CA C 0.557 1.834 12.206 1.00 . A A . 42 LYS CA 1 1 8 9166 1 1 42 LYS CB C 1.066 2.668 13.392 1.00 . A A . 42 LYS CB 1 1 8 9167 1 1 42 LYS CD C 0.262 4.185 15.275 1.00 . A A . 42 LYS CD 1 1 8 9168 1 1 42 LYS CE C -0.923 5.014 15.796 1.00 . A A . 42 LYS CE 1 1 8 9169 1 1 42 LYS CG C -0.037 3.595 13.891 1.00 . A A . 42 LYS CG 1 1 8 9170 1 1 42 LYS H H 2.534 1.119 12.221 1.00 . A A . 42 LYS H 1 1 8 9171 1 1 42 LYS HA H -0.265 1.208 12.556 1.00 . A A . 42 LYS HA 1 1 8 9172 1 1 42 LYS HB2 H 1.355 1.990 14.195 1.00 . A A . 42 LYS HB2 1 1 8 9173 1 1 42 LYS HB3 H 1.933 3.261 13.093 1.00 . A A . 42 LYS HB3 1 1 8 9174 1 1 42 LYS HD2 H 0.440 3.366 15.977 1.00 . A A . 42 LYS HD2 1 1 8 9175 1 1 42 LYS HD3 H 1.168 4.794 15.229 1.00 . A A . 42 LYS HD3 1 1 8 9176 1 1 42 LYS HE2 H -1.800 4.369 15.884 1.00 . A A . 42 LYS HE2 1 1 8 9177 1 1 42 LYS HE3 H -0.677 5.386 16.794 1.00 . A A . 42 LYS HE3 1 1 8 9178 1 1 42 LYS HG2 H -0.122 4.387 13.151 1.00 . A A . 42 LYS HG2 1 1 8 9179 1 1 42 LYS HG3 H -0.954 3.009 13.924 1.00 . A A . 42 LYS HG3 1 1 8 9180 1 1 42 LYS HZ1 H -2.014 6.685 15.311 1.00 . A A . 42 LYS HZ1 1 1 8 9181 1 1 42 LYS HZ2 H -0.445 6.771 14.832 1.00 . A A . 42 LYS HZ2 1 1 8 9182 1 1 42 LYS HZ3 H -1.511 5.833 13.999 1.00 . A A . 42 LYS HZ3 1 1 8 9183 1 1 42 LYS N N 1.637 0.952 11.803 1.00 . A A . 42 LYS N 1 1 8 9184 1 1 42 LYS NZ N -1.245 6.159 14.918 1.00 . A A . 42 LYS NZ 1 1 8 9185 1 1 42 LYS O O -1.055 3.281 11.170 1.00 . A A . 42 LYS O 1 1 8 9186 1 1 43 SER C C 0.284 2.726 7.491 1.00 . A A . 43 SER C 1 1 8 9187 1 1 43 SER CA C 0.428 3.577 8.759 1.00 . A A . 43 SER CA 1 1 8 9188 1 1 43 SER CB C 1.596 4.525 8.601 1.00 . A A . 43 SER CB 1 1 8 9189 1 1 43 SER H H 1.581 2.211 9.856 1.00 . A A . 43 SER H 1 1 8 9190 1 1 43 SER HA H -0.491 4.149 8.889 1.00 . A A . 43 SER HA 1 1 8 9191 1 1 43 SER HB2 H 2.499 3.922 8.656 1.00 . A A . 43 SER HB2 1 1 8 9192 1 1 43 SER HB3 H 1.523 4.969 7.617 1.00 . A A . 43 SER HB3 1 1 8 9193 1 1 43 SER HG H 0.921 6.149 9.443 1.00 . A A . 43 SER HG 1 1 8 9194 1 1 43 SER N N 0.736 2.764 9.928 1.00 . A A . 43 SER N 1 1 8 9195 1 1 43 SER O O 0.456 3.200 6.374 1.00 . A A . 43 SER O 1 1 8 9196 1 1 43 SER OG O 1.589 5.487 9.641 1.00 . A A . 43 SER OG 1 1 8 9197 1 1 44 ALA C C -1.570 -0.273 7.151 1.00 . A A . 44 ALA C 1 1 8 9198 1 1 44 ALA CA C -0.270 0.400 6.736 1.00 . A A . 44 ALA CA 1 1 8 9199 1 1 44 ALA CB C 0.858 -0.625 6.818 1.00 . A A . 44 ALA CB 1 1 8 9200 1 1 44 ALA H H 0.022 1.212 8.666 1.00 . A A . 44 ALA H 1 1 8 9201 1 1 44 ALA HA H -0.321 0.763 5.711 1.00 . A A . 44 ALA HA 1 1 8 9202 1 1 44 ALA HB1 H 0.563 -1.489 6.226 1.00 . A A . 44 ALA HB1 1 1 8 9203 1 1 44 ALA HB2 H 1.780 -0.198 6.433 1.00 . A A . 44 ALA HB2 1 1 8 9204 1 1 44 ALA HB3 H 1.028 -0.953 7.843 1.00 . A A . 44 ALA HB3 1 1 8 9205 1 1 44 ALA N N -0.028 1.458 7.700 1.00 . A A . 44 ALA N 1 1 8 9206 1 1 44 ALA O O -2.529 -0.378 6.381 1.00 . A A . 44 ALA O 1 1 8 9207 1 1 45 HIS C C -3.712 -0.726 9.648 1.00 . A A . 45 HIS C 1 1 8 9208 1 1 45 HIS CA C -2.588 -1.541 9.017 1.00 . A A . 45 HIS CA 1 1 8 9209 1 1 45 HIS CB C -1.985 -2.526 10.031 1.00 . A A . 45 HIS CB 1 1 8 9210 1 1 45 HIS CD2 C -0.540 -4.275 8.822 1.00 . A A . 45 HIS CD2 1 1 8 9211 1 1 45 HIS CE1 C -1.955 -5.943 8.769 1.00 . A A . 45 HIS CE1 1 1 8 9212 1 1 45 HIS CG C -1.698 -3.875 9.432 1.00 . A A . 45 HIS CG 1 1 8 9213 1 1 45 HIS H H -0.737 -0.465 8.962 1.00 . A A . 45 HIS H 1 1 8 9214 1 1 45 HIS HA H -3.036 -2.127 8.218 1.00 . A A . 45 HIS HA 1 1 8 9215 1 1 45 HIS HB2 H -1.076 -2.128 10.478 1.00 . A A . 45 HIS HB2 1 1 8 9216 1 1 45 HIS HB3 H -2.692 -2.694 10.844 1.00 . A A . 45 HIS HB3 1 1 8 9217 1 1 45 HIS HD1 H -3.496 -4.966 9.801 1.00 . A A . 45 HIS HD1 1 1 8 9218 1 1 45 HIS HD2 H 0.345 -3.674 8.701 1.00 . A A . 45 HIS HD2 1 1 8 9219 1 1 45 HIS HE1 H -2.398 -6.908 8.607 1.00 . A A . 45 HIS HE1 1 1 8 9220 1 1 45 HIS N N -1.561 -0.708 8.413 1.00 . A A . 45 HIS N 1 1 8 9221 1 1 45 HIS ND1 N -2.575 -4.933 9.396 1.00 . A A . 45 HIS ND1 1 1 8 9222 1 1 45 HIS NE2 N -0.709 -5.600 8.405 1.00 . A A . 45 HIS NE2 1 1 8 9223 1 1 45 HIS O O -4.711 -1.310 10.066 1.00 . A A . 45 HIS O 1 1 8 9224 1 1 46 LYS C C -5.649 1.658 9.049 1.00 . A A . 46 LYS C 1 1 8 9225 1 1 46 LYS CA C -4.673 1.430 10.211 1.00 . A A . 46 LYS CA 1 1 8 9226 1 1 46 LYS CB C -4.094 2.680 10.891 1.00 . A A . 46 LYS CB 1 1 8 9227 1 1 46 LYS CD C -5.964 4.388 10.995 1.00 . A A . 46 LYS CD 1 1 8 9228 1 1 46 LYS CE C -6.851 5.292 11.859 1.00 . A A . 46 LYS CE 1 1 8 9229 1 1 46 LYS CG C -5.076 3.439 11.798 1.00 . A A . 46 LYS CG 1 1 8 9230 1 1 46 LYS H H -2.743 1.040 9.389 1.00 . A A . 46 LYS H 1 1 8 9231 1 1 46 LYS HA H -5.211 0.887 10.990 1.00 . A A . 46 LYS HA 1 1 8 9232 1 1 46 LYS HB2 H -3.313 2.317 11.558 1.00 . A A . 46 LYS HB2 1 1 8 9233 1 1 46 LYS HB3 H -3.633 3.352 10.166 1.00 . A A . 46 LYS HB3 1 1 8 9234 1 1 46 LYS HD2 H -5.298 5.027 10.414 1.00 . A A . 46 LYS HD2 1 1 8 9235 1 1 46 LYS HD3 H -6.591 3.803 10.325 1.00 . A A . 46 LYS HD3 1 1 8 9236 1 1 46 LYS HE2 H -7.451 4.686 12.540 1.00 . A A . 46 LYS HE2 1 1 8 9237 1 1 46 LYS HE3 H -6.210 5.953 12.444 1.00 . A A . 46 LYS HE3 1 1 8 9238 1 1 46 LYS HG2 H -5.681 2.734 12.367 1.00 . A A . 46 LYS HG2 1 1 8 9239 1 1 46 LYS HG3 H -4.481 4.036 12.489 1.00 . A A . 46 LYS HG3 1 1 8 9240 1 1 46 LYS HZ1 H -7.233 6.486 10.209 1.00 . A A . 46 LYS HZ1 1 1 8 9241 1 1 46 LYS HZ2 H -8.460 5.538 10.589 1.00 . A A . 46 LYS HZ2 1 1 8 9242 1 1 46 LYS HZ3 H -8.171 6.869 11.523 1.00 . A A . 46 LYS HZ3 1 1 8 9243 1 1 46 LYS N N -3.585 0.599 9.727 1.00 . A A . 46 LYS N 1 1 8 9244 1 1 46 LYS NZ N -7.745 6.110 11.013 1.00 . A A . 46 LYS NZ 1 1 8 9245 1 1 46 LYS O O -6.684 0.994 8.996 1.00 . A A . 46 LYS O 1 1 8 9246 1 1 47 ASP C C -5.380 3.457 5.815 1.00 . A A . 47 ASP C 1 1 8 9247 1 1 47 ASP CA C -6.188 3.002 7.033 1.00 . A A . 47 ASP CA 1 1 8 9248 1 1 47 ASP CB C -7.102 4.134 7.523 1.00 . A A . 47 ASP CB 1 1 8 9249 1 1 47 ASP CG C -6.336 5.354 8.026 1.00 . A A . 47 ASP CG 1 1 8 9250 1 1 47 ASP H H -4.470 3.107 8.234 1.00 . A A . 47 ASP H 1 1 8 9251 1 1 47 ASP HA H -6.812 2.169 6.709 1.00 . A A . 47 ASP HA 1 1 8 9252 1 1 47 ASP HB2 H -7.747 4.460 6.705 1.00 . A A . 47 ASP HB2 1 1 8 9253 1 1 47 ASP HB3 H -7.735 3.748 8.317 1.00 . A A . 47 ASP HB3 1 1 8 9254 1 1 47 ASP N N -5.313 2.557 8.118 1.00 . A A . 47 ASP N 1 1 8 9255 1 1 47 ASP O O -5.745 4.411 5.133 1.00 . A A . 47 ASP O 1 1 8 9256 1 1 47 ASP OD1 O -5.087 5.318 8.023 1.00 . A A . 47 ASP OD1 1 1 8 9257 1 1 47 ASP OD2 O -7.022 6.242 8.583 1.00 . A A . 47 ASP OD2 1 1 8 9258 1 1 48 ALA C C -3.731 1.903 3.307 1.00 . A A . 48 ALA C 1 1 8 9259 1 1 48 ALA CA C -3.467 2.986 4.353 1.00 . A A . 48 ALA CA 1 1 8 9260 1 1 48 ALA CB C -2.010 3.062 4.807 1.00 . A A . 48 ALA CB 1 1 8 9261 1 1 48 ALA H H -4.083 1.951 6.115 1.00 . A A . 48 ALA H 1 1 8 9262 1 1 48 ALA HA H -3.708 3.945 3.889 1.00 . A A . 48 ALA HA 1 1 8 9263 1 1 48 ALA HB1 H -1.336 2.971 3.954 1.00 . A A . 48 ALA HB1 1 1 8 9264 1 1 48 ALA HB2 H -1.837 4.022 5.291 1.00 . A A . 48 ALA HB2 1 1 8 9265 1 1 48 ALA HB3 H -1.807 2.279 5.535 1.00 . A A . 48 ALA HB3 1 1 8 9266 1 1 48 ALA N N -4.303 2.733 5.517 1.00 . A A . 48 ALA N 1 1 8 9267 1 1 48 ALA O O -4.544 2.090 2.405 1.00 . A A . 48 ALA O 1 1 8 9268 1 1 49 CYS C C -4.605 -0.999 2.727 1.00 . A A . 49 CYS C 1 1 8 9269 1 1 49 CYS CA C -3.241 -0.339 2.486 1.00 . A A . 49 CYS CA 1 1 8 9270 1 1 49 CYS CB C -2.113 -1.340 2.587 1.00 . A A . 49 CYS CB 1 1 8 9271 1 1 49 CYS H H -2.416 0.645 4.186 1.00 . A A . 49 CYS H 1 1 8 9272 1 1 49 CYS HA H -3.236 0.074 1.478 1.00 . A A . 49 CYS HA 1 1 8 9273 1 1 49 CYS HB2 H -2.280 -1.929 3.474 1.00 . A A . 49 CYS HB2 1 1 8 9274 1 1 49 CYS HB3 H -2.139 -2.012 1.729 1.00 . A A . 49 CYS HB3 1 1 8 9275 1 1 49 CYS N N -3.069 0.753 3.430 1.00 . A A . 49 CYS N 1 1 8 9276 1 1 49 CYS O O -5.461 -1.044 1.840 1.00 . A A . 49 CYS O 1 1 8 9277 1 1 49 CYS SG S -0.440 -0.647 2.785 1.00 . A A . 49 CYS SG 1 1 8 9278 1 1 50 LYS C C -7.262 -1.252 4.528 1.00 . A A . 50 LYS C 1 1 8 9279 1 1 50 LYS CA C -6.102 -2.216 4.238 1.00 . A A . 50 LYS CA 1 1 8 9280 1 1 50 LYS CB C -5.913 -3.282 5.328 1.00 . A A . 50 LYS CB 1 1 8 9281 1 1 50 LYS CD C -5.677 -3.359 7.842 1.00 . A A . 50 LYS CD 1 1 8 9282 1 1 50 LYS CE C -6.915 -2.553 8.278 1.00 . A A . 50 LYS CE 1 1 8 9283 1 1 50 LYS CG C -5.101 -2.800 6.534 1.00 . A A . 50 LYS CG 1 1 8 9284 1 1 50 LYS H H -4.145 -1.421 4.652 1.00 . A A . 50 LYS H 1 1 8 9285 1 1 50 LYS HA H -6.407 -2.777 3.352 1.00 . A A . 50 LYS HA 1 1 8 9286 1 1 50 LYS HB2 H -6.895 -3.639 5.642 1.00 . A A . 50 LYS HB2 1 1 8 9287 1 1 50 LYS HB3 H -5.394 -4.138 4.900 1.00 . A A . 50 LYS HB3 1 1 8 9288 1 1 50 LYS HD2 H -5.922 -4.417 7.718 1.00 . A A . 50 LYS HD2 1 1 8 9289 1 1 50 LYS HD3 H -4.899 -3.293 8.600 1.00 . A A . 50 LYS HD3 1 1 8 9290 1 1 50 LYS HE2 H -6.825 -1.519 7.938 1.00 . A A . 50 LYS HE2 1 1 8 9291 1 1 50 LYS HE3 H -7.809 -2.983 7.827 1.00 . A A . 50 LYS HE3 1 1 8 9292 1 1 50 LYS HG2 H -4.076 -3.156 6.404 1.00 . A A . 50 LYS HG2 1 1 8 9293 1 1 50 LYS HG3 H -5.071 -1.710 6.583 1.00 . A A . 50 LYS HG3 1 1 8 9294 1 1 50 LYS HZ1 H -6.215 -2.050 10.117 1.00 . A A . 50 LYS HZ1 1 1 8 9295 1 1 50 LYS HZ2 H -7.839 -1.916 10.004 1.00 . A A . 50 LYS HZ2 1 1 8 9296 1 1 50 LYS HZ3 H -7.144 -3.416 10.151 1.00 . A A . 50 LYS HZ3 1 1 8 9297 1 1 50 LYS N N -4.854 -1.516 3.935 1.00 . A A . 50 LYS N 1 1 8 9298 1 1 50 LYS NZ N -7.053 -2.495 9.747 1.00 . A A . 50 LYS NZ 1 1 8 9299 1 1 50 LYS O O -7.967 -1.391 5.529 1.00 . A A . 50 LYS O 1 1 8 9300 1 1 51 THR C C -9.185 0.290 1.972 1.00 . A A . 51 THR C 1 1 8 9301 1 1 51 THR CA C -8.795 0.339 3.450 1.00 . A A . 51 THR CA 1 1 8 9302 1 1 51 THR CB C -8.802 1.739 4.090 1.00 . A A . 51 THR CB 1 1 8 9303 1 1 51 THR CG2 C -7.850 2.756 3.455 1.00 . A A . 51 THR CG2 1 1 8 9304 1 1 51 THR H H -6.851 -0.279 2.825 1.00 . A A . 51 THR H 1 1 8 9305 1 1 51 THR HA H -9.553 -0.241 3.979 1.00 . A A . 51 THR HA 1 1 8 9306 1 1 51 THR HB H -8.519 1.623 5.137 1.00 . A A . 51 THR HB 1 1 8 9307 1 1 51 THR HG1 H -10.098 3.153 4.422 1.00 . A A . 51 THR HG1 1 1 8 9308 1 1 51 THR HG21 H -8.163 3.024 2.446 1.00 . A A . 51 THR HG21 1 1 8 9309 1 1 51 THR HG22 H -7.860 3.667 4.051 1.00 . A A . 51 THR HG22 1 1 8 9310 1 1 51 THR HG23 H -6.836 2.361 3.437 1.00 . A A . 51 THR HG23 1 1 8 9311 1 1 51 THR N N -7.507 -0.325 3.600 1.00 . A A . 51 THR N 1 1 8 9312 1 1 51 THR O O -10.190 -0.326 1.618 1.00 . A A . 51 THR O 1 1 8 9313 1 1 51 THR OG1 O -10.110 2.263 4.059 1.00 . A A . 51 THR OG1 1 1 8 9314 1 1 52 CYS C C -8.998 -0.542 -0.844 1.00 . A A . 52 CYS C 1 1 8 9315 1 1 52 CYS CA C -8.532 0.821 -0.345 1.00 . A A . 52 CYS CA 1 1 8 9316 1 1 52 CYS CB C -7.239 1.163 -1.022 1.00 . A A . 52 CYS CB 1 1 8 9317 1 1 52 CYS H H -7.513 1.311 1.441 1.00 . A A . 52 CYS H 1 1 8 9318 1 1 52 CYS HA H -9.295 1.553 -0.616 1.00 . A A . 52 CYS HA 1 1 8 9319 1 1 52 CYS HB2 H -6.376 0.842 -0.434 1.00 . A A . 52 CYS HB2 1 1 8 9320 1 1 52 CYS HB3 H -7.214 0.626 -1.970 1.00 . A A . 52 CYS HB3 1 1 8 9321 1 1 52 CYS N N -8.338 0.838 1.097 1.00 . A A . 52 CYS N 1 1 8 9322 1 1 52 CYS O O -10.056 -0.658 -1.460 1.00 . A A . 52 CYS O 1 1 8 9323 1 1 52 CYS SG S -7.134 2.933 -1.377 1.00 . A A . 52 CYS SG 1 1 8 9324 1 1 53 HIS C C -9.786 -3.468 -0.614 1.00 . A A . 53 HIS C 1 1 8 9325 1 1 53 HIS CA C -8.484 -2.884 -1.172 1.00 . A A . 53 HIS CA 1 1 8 9326 1 1 53 HIS CB C -7.317 -3.872 -1.032 1.00 . A A . 53 HIS CB 1 1 8 9327 1 1 53 HIS CD2 C -5.281 -3.091 -2.435 1.00 . A A . 53 HIS CD2 1 1 8 9328 1 1 53 HIS CE1 C -4.168 -2.107 -0.846 1.00 . A A . 53 HIS CE1 1 1 8 9329 1 1 53 HIS CG C -5.958 -3.268 -1.253 1.00 . A A . 53 HIS CG 1 1 8 9330 1 1 53 HIS H H -7.315 -1.411 -0.139 1.00 . A A . 53 HIS H 1 1 8 9331 1 1 53 HIS HA H -8.609 -2.725 -2.243 1.00 . A A . 53 HIS HA 1 1 8 9332 1 1 53 HIS HB2 H -7.333 -4.311 -0.035 1.00 . A A . 53 HIS HB2 1 1 8 9333 1 1 53 HIS HB3 H -7.457 -4.682 -1.749 1.00 . A A . 53 HIS HB3 1 1 8 9334 1 1 53 HIS HD1 H -5.526 -2.394 0.678 1.00 . A A . 53 HIS HD1 1 1 8 9335 1 1 53 HIS HD2 H -5.551 -3.400 -3.431 1.00 . A A . 53 HIS HD2 1 1 8 9336 1 1 53 HIS HE1 H -3.465 -1.495 -0.328 1.00 . A A . 53 HIS HE1 1 1 8 9337 1 1 53 HIS N N -8.200 -1.581 -0.593 1.00 . A A . 53 HIS N 1 1 8 9338 1 1 53 HIS ND1 N -5.245 -2.642 -0.267 1.00 . A A . 53 HIS ND1 1 1 8 9339 1 1 53 HIS NE2 N -4.135 -2.343 -2.160 1.00 . A A . 53 HIS NE2 1 1 8 9340 1 1 53 HIS O O -10.341 -4.360 -1.246 1.00 . A A . 53 HIS O 1 1 8 9341 1 1 54 LYS C C -12.651 -2.833 0.039 1.00 . A A . 54 LYS C 1 1 8 9342 1 1 54 LYS CA C -11.612 -3.382 1.009 1.00 . A A . 54 LYS CA 1 1 8 9343 1 1 54 LYS CB C -11.926 -2.860 2.415 1.00 . A A . 54 LYS CB 1 1 8 9344 1 1 54 LYS CD C -11.504 -2.826 4.841 1.00 . A A . 54 LYS CD 1 1 8 9345 1 1 54 LYS CE C -10.826 -3.486 6.045 1.00 . A A . 54 LYS CE 1 1 8 9346 1 1 54 LYS CG C -10.997 -3.394 3.508 1.00 . A A . 54 LYS CG 1 1 8 9347 1 1 54 LYS H H -9.861 -2.179 0.969 1.00 . A A . 54 LYS H 1 1 8 9348 1 1 54 LYS HA H -11.699 -4.467 1.027 1.00 . A A . 54 LYS HA 1 1 8 9349 1 1 54 LYS HB2 H -11.922 -1.772 2.429 1.00 . A A . 54 LYS HB2 1 1 8 9350 1 1 54 LYS HB3 H -12.942 -3.182 2.646 1.00 . A A . 54 LYS HB3 1 1 8 9351 1 1 54 LYS HD2 H -11.325 -1.749 4.846 1.00 . A A . 54 LYS HD2 1 1 8 9352 1 1 54 LYS HD3 H -12.581 -3.000 4.901 1.00 . A A . 54 LYS HD3 1 1 8 9353 1 1 54 LYS HE2 H -10.986 -4.565 5.999 1.00 . A A . 54 LYS HE2 1 1 8 9354 1 1 54 LYS HE3 H -9.752 -3.290 6.008 1.00 . A A . 54 LYS HE3 1 1 8 9355 1 1 54 LYS HG2 H -11.046 -4.485 3.512 1.00 . A A . 54 LYS HG2 1 1 8 9356 1 1 54 LYS HG3 H -9.970 -3.075 3.323 1.00 . A A . 54 LYS HG3 1 1 8 9357 1 1 54 LYS HZ1 H -10.970 -3.457 8.096 1.00 . A A . 54 LYS HZ1 1 1 8 9358 1 1 54 LYS HZ2 H -11.200 -1.982 7.395 1.00 . A A . 54 LYS HZ2 1 1 8 9359 1 1 54 LYS HZ3 H -12.385 -3.123 7.336 1.00 . A A . 54 LYS HZ3 1 1 8 9360 1 1 54 LYS N N -10.282 -2.998 0.545 1.00 . A A . 54 LYS N 1 1 8 9361 1 1 54 LYS NZ N -11.385 -2.972 7.313 1.00 . A A . 54 LYS NZ 1 1 8 9362 1 1 54 LYS O O -13.518 -3.569 -0.427 1.00 . A A . 54 LYS O 1 1 8 9363 1 1 55 SER C C -13.136 -1.235 -2.660 1.00 . A A . 55 SER C 1 1 8 9364 1 1 55 SER CA C -13.461 -0.870 -1.204 1.00 . A A . 55 SER CA 1 1 8 9365 1 1 55 SER CB C -13.372 0.644 -0.961 1.00 . A A . 55 SER CB 1 1 8 9366 1 1 55 SER H H -11.732 -1.032 0.033 1.00 . A A . 55 SER H 1 1 8 9367 1 1 55 SER HA H -14.483 -1.187 -0.990 1.00 . A A . 55 SER HA 1 1 8 9368 1 1 55 SER HB2 H -13.585 0.864 0.086 1.00 . A A . 55 SER HB2 1 1 8 9369 1 1 55 SER HB3 H -12.367 0.995 -1.204 1.00 . A A . 55 SER HB3 1 1 8 9370 1 1 55 SER HG H -14.110 1.103 -2.687 1.00 . A A . 55 SER HG 1 1 8 9371 1 1 55 SER N N -12.547 -1.544 -0.291 1.00 . A A . 55 SER N 1 1 8 9372 1 1 55 SER O O -13.107 -0.359 -3.523 1.00 . A A . 55 SER O 1 1 8 9373 1 1 55 SER OG O -14.308 1.330 -1.767 1.00 . A A . 55 SER OG 1 1 8 9374 1 1 56 ASN C C -12.662 -4.578 -4.195 1.00 . A A . 56 ASN C 1 1 8 9375 1 1 56 ASN CA C -12.454 -3.062 -4.204 1.00 . A A . 56 ASN CA 1 1 8 9376 1 1 56 ASN CB C -10.968 -2.747 -4.456 1.00 . A A . 56 ASN CB 1 1 8 9377 1 1 56 ASN CG C -10.710 -1.360 -5.046 1.00 . A A . 56 ASN CG 1 1 8 9378 1 1 56 ASN H H -13.089 -3.185 -2.186 1.00 . A A . 56 ASN H 1 1 8 9379 1 1 56 ASN HA H -13.056 -2.639 -5.012 1.00 . A A . 56 ASN HA 1 1 8 9380 1 1 56 ASN HB2 H -10.407 -2.878 -3.535 1.00 . A A . 56 ASN HB2 1 1 8 9381 1 1 56 ASN HB3 H -10.587 -3.462 -5.186 1.00 . A A . 56 ASN HB3 1 1 8 9382 1 1 56 ASN HD21 H -10.020 -0.596 -3.273 1.00 . A A . 56 ASN HD21 1 1 8 9383 1 1 56 ASN HD22 H -10.046 0.494 -4.648 1.00 . A A . 56 ASN HD22 1 1 8 9384 1 1 56 ASN N N -12.898 -2.522 -2.926 1.00 . A A . 56 ASN N 1 1 8 9385 1 1 56 ASN ND2 N -10.165 -0.429 -4.265 1.00 . A A . 56 ASN ND2 1 1 8 9386 1 1 56 ASN O O -13.253 -5.120 -5.124 1.00 . A A . 56 ASN O 1 1 8 9387 1 1 56 ASN OD1 O -10.959 -1.133 -6.225 1.00 . A A . 56 ASN OD1 1 1 8 9388 1 1 57 ASN C C -12.092 -7.254 -1.684 1.00 . A A . 57 ASN C 1 1 8 9389 1 1 57 ASN CA C -12.093 -6.732 -3.129 1.00 . A A . 57 ASN CA 1 1 8 9390 1 1 57 ASN CB C -10.855 -7.190 -3.919 1.00 . A A . 57 ASN CB 1 1 8 9391 1 1 57 ASN CG C -10.772 -8.703 -4.099 1.00 . A A . 57 ASN CG 1 1 8 9392 1 1 57 ASN H H -11.668 -4.767 -2.429 1.00 . A A . 57 ASN H 1 1 8 9393 1 1 57 ASN HA H -12.980 -7.134 -3.621 1.00 . A A . 57 ASN HA 1 1 8 9394 1 1 57 ASN HB2 H -10.893 -6.742 -4.912 1.00 . A A . 57 ASN HB2 1 1 8 9395 1 1 57 ASN HB3 H -9.947 -6.843 -3.423 1.00 . A A . 57 ASN HB3 1 1 8 9396 1 1 57 ASN HD21 H -9.251 -8.517 -5.446 1.00 . A A . 57 ASN HD21 1 1 8 9397 1 1 57 ASN HD22 H -9.782 -10.150 -5.093 1.00 . A A . 57 ASN HD22 1 1 8 9398 1 1 57 ASN N N -12.146 -5.270 -3.168 1.00 . A A . 57 ASN N 1 1 8 9399 1 1 57 ASN ND2 N -9.855 -9.155 -4.949 1.00 . A A . 57 ASN ND2 1 1 8 9400 1 1 57 ASN O O -13.045 -7.901 -1.258 1.00 . A A . 57 ASN O 1 1 8 9401 1 1 57 ASN OD1 O -11.521 -9.465 -3.502 1.00 . A A . 57 ASN OD1 1 1 8 9402 1 1 58 GLY C C -10.102 -8.511 0.784 1.00 . A A . 58 GLY C 1 1 8 9403 1 1 58 GLY CA C -10.928 -7.246 0.503 1.00 . A A . 58 GLY CA 1 1 8 9404 1 1 58 GLY H H -10.380 -6.272 -1.299 1.00 . A A . 58 GLY H 1 1 8 9405 1 1 58 GLY HA2 H -10.476 -6.374 0.965 1.00 . A A . 58 GLY HA2 1 1 8 9406 1 1 58 GLY HA3 H -11.917 -7.377 0.947 1.00 . A A . 58 GLY HA3 1 1 8 9407 1 1 58 GLY N N -11.043 -6.936 -0.917 1.00 . A A . 58 GLY N 1 1 8 9408 1 1 58 GLY O O -10.440 -9.581 0.280 1.00 . A A . 58 GLY O 1 1 8 9409 1 1 59 PRO C C -9.110 -10.362 3.088 1.00 . A A . 59 PRO C 1 1 8 9410 1 1 59 PRO CA C -8.291 -9.603 2.044 1.00 . A A . 59 PRO CA 1 1 8 9411 1 1 59 PRO CB C -6.994 -9.052 2.641 1.00 . A A . 59 PRO CB 1 1 8 9412 1 1 59 PRO CD C -8.510 -7.234 2.244 1.00 . A A . 59 PRO CD 1 1 8 9413 1 1 59 PRO CG C -7.442 -7.714 3.231 1.00 . A A . 59 PRO CG 1 1 8 9414 1 1 59 PRO HA H -8.059 -10.290 1.226 1.00 . A A . 59 PRO HA 1 1 8 9415 1 1 59 PRO HB2 H -6.557 -9.715 3.389 1.00 . A A . 59 PRO HB2 1 1 8 9416 1 1 59 PRO HB3 H -6.277 -8.872 1.838 1.00 . A A . 59 PRO HB3 1 1 8 9417 1 1 59 PRO HD2 H -9.282 -6.695 2.794 1.00 . A A . 59 PRO HD2 1 1 8 9418 1 1 59 PRO HD3 H -8.055 -6.588 1.493 1.00 . A A . 59 PRO HD3 1 1 8 9419 1 1 59 PRO HG2 H -7.902 -7.890 4.205 1.00 . A A . 59 PRO HG2 1 1 8 9420 1 1 59 PRO HG3 H -6.618 -7.006 3.328 1.00 . A A . 59 PRO HG3 1 1 8 9421 1 1 59 PRO N N -9.032 -8.430 1.598 1.00 . A A . 59 PRO N 1 1 8 9422 1 1 59 PRO O O -9.975 -9.791 3.750 1.00 . A A . 59 PRO O 1 1 8 9423 1 1 60 THR C C -8.576 -13.211 5.079 1.00 . A A . 60 THR C 1 1 8 9424 1 1 60 THR CA C -9.552 -12.572 4.090 1.00 . A A . 60 THR CA 1 1 8 9425 1 1 60 THR CB C -10.222 -13.631 3.202 1.00 . A A . 60 THR CB 1 1 8 9426 1 1 60 THR CG2 C -11.390 -13.035 2.410 1.00 . A A . 60 THR CG2 1 1 8 9427 1 1 60 THR H H -8.102 -12.059 2.648 1.00 . A A . 60 THR H 1 1 8 9428 1 1 60 THR HA H -10.322 -12.057 4.665 1.00 . A A . 60 THR HA 1 1 8 9429 1 1 60 THR HB H -10.607 -14.435 3.834 1.00 . A A . 60 THR HB 1 1 8 9430 1 1 60 THR HG1 H -9.373 -13.723 1.447 1.00 . A A . 60 THR HG1 1 1 8 9431 1 1 60 THR HG21 H -11.049 -12.229 1.757 1.00 . A A . 60 THR HG21 1 1 8 9432 1 1 60 THR HG22 H -11.854 -13.811 1.799 1.00 . A A . 60 THR HG22 1 1 8 9433 1 1 60 THR HG23 H -12.137 -12.637 3.097 1.00 . A A . 60 THR HG23 1 1 8 9434 1 1 60 THR N N -8.823 -11.657 3.227 1.00 . A A . 60 THR N 1 1 8 9435 1 1 60 THR O O -8.672 -13.011 6.288 1.00 . A A . 60 THR O 1 1 8 9436 1 1 60 THR OG1 O -9.265 -14.158 2.299 1.00 . A A . 60 THR OG1 1 1 8 9437 1 1 61 LYS C C -5.264 -14.166 5.116 1.00 . A A . 61 LYS C 1 1 8 9438 1 1 61 LYS CA C -6.659 -14.757 5.321 1.00 . A A . 61 LYS CA 1 1 8 9439 1 1 61 LYS CB C -6.735 -16.243 4.933 1.00 . A A . 61 LYS CB 1 1 8 9440 1 1 61 LYS CD C -8.533 -16.810 6.657 1.00 . A A . 61 LYS CD 1 1 8 9441 1 1 61 LYS CE C -9.778 -17.672 6.912 1.00 . A A . 61 LYS CE 1 1 8 9442 1 1 61 LYS CG C -8.115 -16.875 5.179 1.00 . A A . 61 LYS CG 1 1 8 9443 1 1 61 LYS H H -7.667 -14.093 3.538 1.00 . A A . 61 LYS H 1 1 8 9444 1 1 61 LYS HA H -6.860 -14.679 6.390 1.00 . A A . 61 LYS HA 1 1 8 9445 1 1 61 LYS HB2 H -6.493 -16.344 3.873 1.00 . A A . 61 LYS HB2 1 1 8 9446 1 1 61 LYS HB3 H -5.989 -16.796 5.506 1.00 . A A . 61 LYS HB3 1 1 8 9447 1 1 61 LYS HD2 H -7.702 -17.169 7.271 1.00 . A A . 61 LYS HD2 1 1 8 9448 1 1 61 LYS HD3 H -8.750 -15.773 6.920 1.00 . A A . 61 LYS HD3 1 1 8 9449 1 1 61 LYS HE2 H -10.591 -17.325 6.271 1.00 . A A . 61 LYS HE2 1 1 8 9450 1 1 61 LYS HE3 H -9.556 -18.710 6.656 1.00 . A A . 61 LYS HE3 1 1 8 9451 1 1 61 LYS HG2 H -8.861 -16.381 4.555 1.00 . A A . 61 LYS HG2 1 1 8 9452 1 1 61 LYS HG3 H -8.052 -17.920 4.866 1.00 . A A . 61 LYS HG3 1 1 8 9453 1 1 61 LYS HZ1 H -11.035 -18.191 8.452 1.00 . A A . 61 LYS HZ1 1 1 8 9454 1 1 61 LYS HZ2 H -9.485 -17.943 8.933 1.00 . A A . 61 LYS HZ2 1 1 8 9455 1 1 61 LYS HZ3 H -10.453 -16.659 8.575 1.00 . A A . 61 LYS HZ3 1 1 8 9456 1 1 61 LYS N N -7.636 -13.996 4.550 1.00 . A A . 61 LYS N 1 1 8 9457 1 1 61 LYS NZ N -10.218 -17.610 8.322 1.00 . A A . 61 LYS NZ 1 1 8 9458 1 1 61 LYS O O -4.363 -14.829 4.603 1.00 . A A . 61 LYS O 1 1 8 9459 1 1 62 CYS C C -3.499 -12.182 3.839 1.00 . A A . 62 CYS C 1 1 8 9460 1 1 62 CYS CA C -3.890 -12.120 5.319 1.00 . A A . 62 CYS CA 1 1 8 9461 1 1 62 CYS CB C -2.793 -12.545 6.278 1.00 . A A . 62 CYS CB 1 1 8 9462 1 1 62 CYS H H -5.889 -12.446 5.955 1.00 . A A . 62 CYS H 1 1 8 9463 1 1 62 CYS HA H -4.159 -11.086 5.511 1.00 . A A . 62 CYS HA 1 1 8 9464 1 1 62 CYS HB2 H -2.503 -13.575 6.069 1.00 . A A . 62 CYS HB2 1 1 8 9465 1 1 62 CYS HB3 H -1.919 -11.903 6.158 1.00 . A A . 62 CYS HB3 1 1 8 9466 1 1 62 CYS N N -5.099 -12.907 5.532 1.00 . A A . 62 CYS N 1 1 8 9467 1 1 62 CYS O O -4.331 -11.877 2.984 1.00 . A A . 62 CYS O 1 1 8 9468 1 1 62 CYS SG S -3.324 -12.472 8.010 1.00 . A A . 62 CYS SG 1 1 8 9469 1 1 63 GLY C C -1.557 -11.735 1.293 1.00 . A A . 63 GLY C 1 1 8 9470 1 1 63 GLY CA C -1.849 -12.943 2.176 1.00 . A A . 63 GLY CA 1 1 8 9471 1 1 63 GLY H H -1.602 -12.714 4.266 1.00 . A A . 63 GLY H 1 1 8 9472 1 1 63 GLY HA2 H -0.949 -13.553 2.248 1.00 . A A . 63 GLY HA2 1 1 8 9473 1 1 63 GLY HA3 H -2.632 -13.543 1.708 1.00 . A A . 63 GLY HA3 1 1 8 9474 1 1 63 GLY N N -2.260 -12.564 3.521 1.00 . A A . 63 GLY N 1 1 8 9475 1 1 63 GLY O O -0.455 -11.606 0.769 1.00 . A A . 63 GLY O 1 1 8 9476 1 1 64 GLY C C -1.447 -8.883 -0.120 1.00 . A A . 64 GLY C 1 1 8 9477 1 1 64 GLY CA C -2.640 -9.821 0.108 1.00 . A A . 64 GLY CA 1 1 8 9478 1 1 64 GLY H H -3.380 -11.031 1.675 1.00 . A A . 64 GLY H 1 1 8 9479 1 1 64 GLY HA2 H -2.887 -10.306 -0.836 1.00 . A A . 64 GLY HA2 1 1 8 9480 1 1 64 GLY HA3 H -3.479 -9.190 0.404 1.00 . A A . 64 GLY HA3 1 1 8 9481 1 1 64 GLY N N -2.534 -10.839 1.149 1.00 . A A . 64 GLY N 1 1 8 9482 1 1 64 GLY O O -1.503 -8.067 -1.031 1.00 . A A . 64 GLY O 1 1 8 9483 1 1 65 CYS C C 1.980 -8.708 1.164 1.00 . A A . 65 CYS C 1 1 8 9484 1 1 65 CYS CA C 0.702 -7.981 0.724 1.00 . A A . 65 CYS CA 1 1 8 9485 1 1 65 CYS CB C 0.372 -6.823 1.641 1.00 . A A . 65 CYS CB 1 1 8 9486 1 1 65 CYS H H -0.328 -9.758 1.291 1.00 . A A . 65 CYS H 1 1 8 9487 1 1 65 CYS HA H 0.863 -7.595 -0.284 1.00 . A A . 65 CYS HA 1 1 8 9488 1 1 65 CYS HB2 H 0.331 -7.221 2.652 1.00 . A A . 65 CYS HB2 1 1 8 9489 1 1 65 CYS HB3 H 1.155 -6.067 1.591 1.00 . A A . 65 CYS HB3 1 1 8 9490 1 1 65 CYS N N -0.406 -8.933 0.717 1.00 . A A . 65 CYS N 1 1 8 9491 1 1 65 CYS O O 3.012 -8.617 0.502 1.00 . A A . 65 CYS O 1 1 8 9492 1 1 65 CYS SG S -1.214 -6.041 1.174 1.00 . A A . 65 CYS SG 1 1 8 9493 1 1 66 HIS C C 3.265 -11.461 1.997 1.00 . A A . 66 HIS C 1 1 8 9494 1 1 66 HIS CA C 3.047 -10.192 2.808 1.00 . A A . 66 HIS CA 1 1 8 9495 1 1 66 HIS CB C 2.804 -10.590 4.269 1.00 . A A . 66 HIS CB 1 1 8 9496 1 1 66 HIS CD2 C 1.624 -9.041 5.921 1.00 . A A . 66 HIS CD2 1 1 8 9497 1 1 66 HIS CE1 C 3.155 -7.499 6.133 1.00 . A A . 66 HIS CE1 1 1 8 9498 1 1 66 HIS CG C 2.714 -9.416 5.189 1.00 . A A . 66 HIS CG 1 1 8 9499 1 1 66 HIS H H 1.043 -9.460 2.793 1.00 . A A . 66 HIS H 1 1 8 9500 1 1 66 HIS HA H 3.943 -9.574 2.754 1.00 . A A . 66 HIS HA 1 1 8 9501 1 1 66 HIS HB2 H 1.899 -11.193 4.333 1.00 . A A . 66 HIS HB2 1 1 8 9502 1 1 66 HIS HB3 H 3.643 -11.204 4.597 1.00 . A A . 66 HIS HB3 1 1 8 9503 1 1 66 HIS HD1 H 4.539 -8.396 4.788 1.00 . A A . 66 HIS HD1 1 1 8 9504 1 1 66 HIS HD2 H 0.667 -9.520 5.992 1.00 . A A . 66 HIS HD2 1 1 8 9505 1 1 66 HIS HE1 H 3.642 -6.570 6.384 1.00 . A A . 66 HIS HE1 1 1 8 9506 1 1 66 HIS N N 1.914 -9.435 2.287 1.00 . A A . 66 HIS N 1 1 8 9507 1 1 66 HIS ND1 N 3.674 -8.450 5.327 1.00 . A A . 66 HIS ND1 1 1 8 9508 1 1 66 HIS NE2 N 1.903 -7.819 6.514 1.00 . A A . 66 HIS NE2 1 1 8 9509 1 1 66 HIS O O 2.385 -12.323 1.975 1.00 . A A . 66 HIS O 1 1 8 9510 1 1 67 ILE C C 5.146 -13.944 1.636 1.00 . A A . 67 ILE C 1 1 8 9511 1 1 67 ILE CA C 4.778 -12.828 0.656 1.00 . A A . 67 ILE CA 1 1 8 9512 1 1 67 ILE CB C 5.851 -12.509 -0.402 1.00 . A A . 67 ILE CB 1 1 8 9513 1 1 67 ILE CD1 C 4.061 -11.417 -1.920 1.00 . A A . 67 ILE CD1 1 1 8 9514 1 1 67 ILE CG1 C 5.448 -11.298 -1.272 1.00 . A A . 67 ILE CG1 1 1 8 9515 1 1 67 ILE CG2 C 6.118 -13.732 -1.295 1.00 . A A . 67 ILE CG2 1 1 8 9516 1 1 67 ILE H H 5.204 -10.963 1.579 1.00 . A A . 67 ILE H 1 1 8 9517 1 1 67 ILE HA H 3.891 -13.165 0.117 1.00 . A A . 67 ILE HA 1 1 8 9518 1 1 67 ILE HB H 6.783 -12.253 0.103 1.00 . A A . 67 ILE HB 1 1 8 9519 1 1 67 ILE HD11 H 3.978 -12.337 -2.497 1.00 . A A . 67 ILE HD11 1 1 8 9520 1 1 67 ILE HD12 H 3.277 -11.389 -1.163 1.00 . A A . 67 ILE HD12 1 1 8 9521 1 1 67 ILE HD13 H 3.903 -10.577 -2.594 1.00 . A A . 67 ILE HD13 1 1 8 9522 1 1 67 ILE HG12 H 5.463 -10.392 -0.664 1.00 . A A . 67 ILE HG12 1 1 8 9523 1 1 67 ILE HG13 H 6.189 -11.174 -2.062 1.00 . A A . 67 ILE HG13 1 1 8 9524 1 1 67 ILE HG21 H 6.811 -13.463 -2.092 1.00 . A A . 67 ILE HG21 1 1 8 9525 1 1 67 ILE HG22 H 6.566 -14.537 -0.713 1.00 . A A . 67 ILE HG22 1 1 8 9526 1 1 67 ILE HG23 H 5.191 -14.099 -1.737 1.00 . A A . 67 ILE HG23 1 1 8 9527 1 1 67 ILE N N 4.456 -11.632 1.420 1.00 . A A . 67 ILE N 1 1 8 9528 1 1 67 ILE O O 6.314 -14.272 1.834 1.00 . A A . 67 ILE O 1 1 8 9529 1 1 68 LYS C C 4.178 -16.913 2.005 1.00 . A A . 68 LYS C 1 1 8 9530 1 1 68 LYS CA C 4.166 -15.747 2.996 1.00 . A A . 68 LYS CA 1 1 8 9531 1 1 68 LYS CB C 2.929 -15.885 3.884 1.00 . A A . 68 LYS CB 1 1 8 9532 1 1 68 LYS CD C 1.504 -14.840 5.719 1.00 . A A . 68 LYS CD 1 1 8 9533 1 1 68 LYS CE C 0.990 -16.217 6.178 1.00 . A A . 68 LYS CE 1 1 8 9534 1 1 68 LYS CG C 2.878 -14.870 5.028 1.00 . A A . 68 LYS CG 1 1 8 9535 1 1 68 LYS H H 3.197 -14.113 2.065 1.00 . A A . 68 LYS H 1 1 8 9536 1 1 68 LYS HA H 5.067 -15.782 3.606 1.00 . A A . 68 LYS HA 1 1 8 9537 1 1 68 LYS HB2 H 2.049 -15.776 3.249 1.00 . A A . 68 LYS HB2 1 1 8 9538 1 1 68 LYS HB3 H 2.962 -16.886 4.315 1.00 . A A . 68 LYS HB3 1 1 8 9539 1 1 68 LYS HD2 H 1.606 -14.203 6.600 1.00 . A A . 68 LYS HD2 1 1 8 9540 1 1 68 LYS HD3 H 0.777 -14.366 5.055 1.00 . A A . 68 LYS HD3 1 1 8 9541 1 1 68 LYS HE2 H 1.810 -16.780 6.631 1.00 . A A . 68 LYS HE2 1 1 8 9542 1 1 68 LYS HE3 H 0.225 -16.060 6.941 1.00 . A A . 68 LYS HE3 1 1 8 9543 1 1 68 LYS HG2 H 3.659 -15.120 5.749 1.00 . A A . 68 LYS HG2 1 1 8 9544 1 1 68 LYS HG3 H 3.091 -13.875 4.635 1.00 . A A . 68 LYS HG3 1 1 8 9545 1 1 68 LYS HZ1 H 0.044 -17.892 5.443 1.00 . A A . 68 LYS HZ1 1 1 8 9546 1 1 68 LYS HZ2 H -0.394 -16.507 4.672 1.00 . A A . 68 LYS HZ2 1 1 8 9547 1 1 68 LYS HZ3 H 1.059 -17.204 4.360 1.00 . A A . 68 LYS HZ3 1 1 8 9548 1 1 68 LYS N N 4.112 -14.487 2.280 1.00 . A A . 68 LYS N 1 1 8 9549 1 1 68 LYS NZ N 0.381 -17.009 5.083 1.00 . A A . 68 LYS NZ 1 1 8 9550 1 1 68 LYS O O 4.391 -18.048 2.482 1.00 . A A . 68 LYS O 1 1 8 9551 1 1 68 LYS OXT O 3.892 -16.664 0.812 1.00 . A A . 68 LYS OXT 1 1 8 9552 2 2 1 HEC C1A C 7.624 8.207 -3.349 1.00 . B A . 69 HEC C1A 1 1 8 9553 2 2 1 HEC C1B C 5.353 9.039 -6.863 1.00 . B A . 69 HEC C1B 1 1 8 9554 2 2 1 HEC C1C C 2.353 6.286 -5.593 1.00 . B A . 69 HEC C1C 1 1 8 9555 2 2 1 HEC C1D C 4.617 5.492 -2.045 1.00 . B A . 69 HEC C1D 1 1 8 9556 2 2 1 HEC C2A C 8.662 9.178 -3.596 1.00 . B A . 69 HEC C2A 1 1 8 9557 2 2 1 HEC C2B C 4.719 9.435 -8.097 1.00 . B A . 69 HEC C2B 1 1 8 9558 2 2 1 HEC C2C C 1.168 5.559 -5.204 1.00 . B A . 69 HEC C2C 1 1 8 9559 2 2 1 HEC C2D C 5.290 5.092 -0.829 1.00 . B A . 69 HEC C2D 1 1 8 9560 2 2 1 HEC C3A C 8.338 9.817 -4.764 1.00 . B A . 69 HEC C3A 1 1 8 9561 2 2 1 HEC C3B C 3.555 8.712 -8.204 1.00 . B A . 69 HEC C3B 1 1 8 9562 2 2 1 HEC C3C C 1.385 5.072 -3.932 1.00 . B A . 69 HEC C3C 1 1 8 9563 2 2 1 HEC C3D C 6.531 5.684 -0.828 1.00 . B A . 69 HEC C3D 1 1 8 9564 2 2 1 HEC C4A C 7.102 9.236 -5.232 1.00 . B A . 69 HEC C4A 1 1 8 9565 2 2 1 HEC C4B C 3.544 7.769 -7.101 1.00 . B A . 69 HEC C4B 1 1 8 9566 2 2 1 HEC C4C C 2.743 5.438 -3.577 1.00 . B A . 69 HEC C4C 1 1 8 9567 2 2 1 HEC C4D C 6.574 6.540 -1.989 1.00 . B A . 69 HEC C4D 1 1 8 9568 2 2 1 HEC CAA C 9.893 9.437 -2.756 1.00 . B A . 69 HEC CAA 1 1 8 9569 2 2 1 HEC CAB C 2.330 9.146 -8.987 1.00 . B A . 69 HEC CAB 1 1 8 9570 2 2 1 HEC CAC C 0.356 4.436 -3.002 1.00 . B A . 69 HEC CAC 1 1 8 9571 2 2 1 HEC CAD C 7.621 5.566 0.228 1.00 . B A . 69 HEC CAD 1 1 8 9572 2 2 1 HEC CBA C 11.076 8.549 -3.164 1.00 . B A . 69 HEC CBA 1 1 8 9573 2 2 1 HEC CBB C 2.563 9.575 -10.441 1.00 . B A . 69 HEC CBB 1 1 8 9574 2 2 1 HEC CBC C 0.022 2.977 -3.320 1.00 . B A . 69 HEC CBC 1 1 8 9575 2 2 1 HEC CBD C 7.869 4.193 0.857 1.00 . B A . 69 HEC CBD 1 1 8 9576 2 2 1 HEC CGA C 12.340 8.889 -2.369 1.00 . B A . 69 HEC CGA 1 1 8 9577 2 2 1 HEC CGD C 9.000 4.301 1.876 1.00 . B A . 69 HEC CGD 1 1 8 9578 2 2 1 HEC CHA C 7.620 7.385 -2.260 1.00 . B A . 69 HEC CHA 1 1 8 9579 2 2 1 HEC CHB C 6.486 9.644 -6.377 1.00 . B A . 69 HEC CHB 1 1 8 9580 2 2 1 HEC CHC C 2.467 6.954 -6.795 1.00 . B A . 69 HEC CHC 1 1 8 9581 2 2 1 HEC CHD C 3.359 5.057 -2.398 1.00 . B A . 69 HEC CHD 1 1 8 9582 2 2 1 HEC CMA C 9.132 10.917 -5.432 1.00 . B A . 69 HEC CMA 1 1 8 9583 2 2 1 HEC CMB C 5.183 10.523 -9.044 1.00 . B A . 69 HEC CMB 1 1 8 9584 2 2 1 HEC CMC C -0.108 5.495 -6.012 1.00 . B A . 69 HEC CMC 1 1 8 9585 2 2 1 HEC CMD C 4.719 4.237 0.268 1.00 . B A . 69 HEC CMD 1 1 8 9586 2 2 1 HEC FE FE 4.991 7.191 -4.527 1.00 . B A . 69 HEC FE 1 1 8 9587 2 2 1 HEC HAA1 H 10.200 10.477 -2.855 1.00 . B A . 69 HEC HAA1 1 1 8 9588 2 2 1 HEC HAA2 H 9.687 9.272 -1.701 1.00 . B A . 69 HEC HAA2 1 1 8 9589 2 2 1 HEC HAB H 1.623 8.325 -9.036 1.00 . B A . 69 HEC HAB 1 1 8 9590 2 2 1 HEC HAC H 0.731 4.464 -1.982 1.00 . B A . 69 HEC HAC 1 1 8 9591 2 2 1 HEC HAD1 H 8.579 5.810 -0.225 1.00 . B A . 69 HEC HAD1 1 1 8 9592 2 2 1 HEC HAD2 H 7.434 6.269 1.032 1.00 . B A . 69 HEC HAD2 1 1 8 9593 2 2 1 HEC HBA1 H 10.809 7.505 -2.991 1.00 . B A . 69 HEC HBA1 1 1 8 9594 2 2 1 HEC HBA2 H 11.262 8.686 -4.230 1.00 . B A . 69 HEC HBA2 1 1 8 9595 2 2 1 HEC HBB1 H 3.251 8.888 -10.933 1.00 . B A . 69 HEC HBB1 1 1 8 9596 2 2 1 HEC HBB2 H 1.619 9.551 -10.987 1.00 . B A . 69 HEC HBB2 1 1 8 9597 2 2 1 HEC HBB3 H 2.946 10.594 -10.496 1.00 . B A . 69 HEC HBB3 1 1 8 9598 2 2 1 HEC HBC1 H -0.603 2.561 -2.530 1.00 . B A . 69 HEC HBC1 1 1 8 9599 2 2 1 HEC HBC2 H -0.534 2.923 -4.250 1.00 . B A . 69 HEC HBC2 1 1 8 9600 2 2 1 HEC HBC3 H 0.931 2.382 -3.405 1.00 . B A . 69 HEC HBC3 1 1 8 9601 2 2 1 HEC HBD1 H 6.992 3.851 1.393 1.00 . B A . 69 HEC HBD1 1 1 8 9602 2 2 1 HEC HBD2 H 8.139 3.476 0.082 1.00 . B A . 69 HEC HBD2 1 1 8 9603 2 2 1 HEC HHA H 8.466 7.425 -1.603 1.00 . B A . 69 HEC HHA 1 1 8 9604 2 2 1 HEC HHB H 6.889 10.506 -6.866 1.00 . B A . 69 HEC HHB 1 1 8 9605 2 2 1 HEC HHC H 1.628 6.915 -7.462 1.00 . B A . 69 HEC HHC 1 1 8 9606 2 2 1 HEC HHD H 2.843 4.382 -1.738 1.00 . B A . 69 HEC HHD 1 1 8 9607 2 2 1 HEC HMA1 H 8.683 11.882 -5.200 1.00 . B A . 69 HEC HMA1 1 1 8 9608 2 2 1 HEC HMA2 H 10.163 10.908 -5.076 1.00 . B A . 69 HEC HMA2 1 1 8 9609 2 2 1 HEC HMA3 H 9.153 10.766 -6.510 1.00 . B A . 69 HEC HMA3 1 1 8 9610 2 2 1 HEC HMB1 H 6.208 10.830 -8.858 1.00 . B A . 69 HEC HMB1 1 1 8 9611 2 2 1 HEC HMB2 H 5.139 10.158 -10.067 1.00 . B A . 69 HEC HMB2 1 1 8 9612 2 2 1 HEC HMB3 H 4.529 11.388 -8.929 1.00 . B A . 69 HEC HMB3 1 1 8 9613 2 2 1 HEC HMC1 H 0.111 5.129 -7.010 1.00 . B A . 69 HEC HMC1 1 1 8 9614 2 2 1 HEC HMC2 H -0.838 4.838 -5.549 1.00 . B A . 69 HEC HMC2 1 1 8 9615 2 2 1 HEC HMC3 H -0.538 6.496 -6.073 1.00 . B A . 69 HEC HMC3 1 1 8 9616 2 2 1 HEC HMD1 H 3.633 4.227 0.254 1.00 . B A . 69 HEC HMD1 1 1 8 9617 2 2 1 HEC HMD2 H 5.093 3.225 0.156 1.00 . B A . 69 HEC HMD2 1 1 8 9618 2 2 1 HEC HMD3 H 5.034 4.645 1.222 1.00 . B A . 69 HEC HMD3 1 1 8 9619 2 2 1 HEC NA N 6.710 8.277 -4.360 1.00 . B A . 69 HEC NA 1 1 8 9620 2 2 1 HEC NB N 4.649 8.005 -6.330 1.00 . B A . 69 HEC NB 1 1 8 9621 2 2 1 HEC NC N 3.254 6.211 -4.584 1.00 . B A . 69 HEC NC 1 1 8 9622 2 2 1 HEC ND N 5.425 6.370 -2.700 1.00 . B A . 69 HEC ND 1 1 8 9623 2 2 1 HEC O1A O 13.407 9.012 -3.007 1.00 . B A . 69 HEC O1A 1 1 8 9624 2 2 1 HEC O1D O 8.714 4.373 3.092 1.00 . B A . 69 HEC O1D 1 1 8 9625 2 2 1 HEC O2A O 12.206 9.038 -1.135 1.00 . B A . 69 HEC O2A 1 1 8 9626 2 2 1 HEC O2D O 10.163 4.509 1.464 1.00 . B A . 69 HEC O2D 1 1 8 9627 3 2 1 HEC C1A C -2.398 -4.202 -4.891 1.00 . C A . 70 HEC C1A 1 1 8 9628 3 2 1 HEC C1B C -0.627 -2.346 -1.468 1.00 . C A . 70 HEC C1B 1 1 8 9629 3 2 1 HEC C1C C -3.237 0.999 -1.946 1.00 . C A . 70 HEC C1C 1 1 8 9630 3 2 1 HEC C1D C -5.145 -0.951 -5.228 1.00 . C A . 70 HEC C1D 1 1 8 9631 3 2 1 HEC C2A C -1.578 -5.391 -4.877 1.00 . C A . 70 HEC C2A 1 1 8 9632 3 2 1 HEC C2B C 0.046 -1.850 -0.292 1.00 . C A . 70 HEC C2B 1 1 8 9633 3 2 1 HEC C2C C -4.088 2.161 -1.933 1.00 . C A . 70 HEC C2C 1 1 8 9634 3 2 1 HEC C2D C -5.825 -1.429 -6.411 1.00 . C A . 70 HEC C2D 1 1 8 9635 3 2 1 HEC C3A C -0.757 -5.310 -3.777 1.00 . C A . 70 HEC C3A 1 1 8 9636 3 2 1 HEC C3B C -0.488 -0.615 0.000 1.00 . C A . 70 HEC C3B 1 1 8 9637 3 2 1 HEC C3C C -5.072 1.951 -2.871 1.00 . C A . 70 HEC C3C 1 1 8 9638 3 2 1 HEC C3D C -5.131 -2.531 -6.848 1.00 . C A . 70 HEC C3D 1 1 8 9639 3 2 1 HEC C4A C -1.056 -4.059 -3.112 1.00 . C A . 70 HEC C4A 1 1 8 9640 3 2 1 HEC C4B C -1.437 -0.319 -1.047 1.00 . C A . 70 HEC C4B 1 1 8 9641 3 2 1 HEC C4C C -4.747 0.710 -3.540 1.00 . C A . 70 HEC C4C 1 1 8 9642 3 2 1 HEC C4D C -4.133 -2.828 -5.846 1.00 . C A . 70 HEC C4D 1 1 8 9643 3 2 1 HEC CAA C -1.573 -6.483 -5.931 1.00 . C A . 70 HEC CAA 1 1 8 9644 3 2 1 HEC CAB C -0.217 0.246 1.224 1.00 . C A . 70 HEC CAB 1 1 8 9645 3 2 1 HEC CAC C -6.369 2.737 -3.007 1.00 . C A . 70 HEC CAC 1 1 8 9646 3 2 1 HEC CAD C -5.260 -3.167 -8.216 1.00 . C A . 70 HEC CAD 1 1 8 9647 3 2 1 HEC CBA C -2.697 -7.517 -5.774 1.00 . C A . 70 HEC CBA 1 1 8 9648 3 2 1 HEC CBB C 1.139 0.939 1.157 1.00 . C A . 70 HEC CBB 1 1 8 9649 3 2 1 HEC CBC C -6.242 4.061 -3.749 1.00 . C A . 70 HEC CBC 1 1 8 9650 3 2 1 HEC CBD C -6.200 -4.374 -8.305 1.00 . C A . 70 HEC CBD 1 1 8 9651 3 2 1 HEC CGA C -2.450 -8.523 -4.639 1.00 . C A . 70 HEC CGA 1 1 8 9652 3 2 1 HEC CGD C -6.415 -4.829 -9.757 1.00 . C A . 70 HEC CGD 1 1 8 9653 3 2 1 HEC CHA C -3.322 -3.934 -5.880 1.00 . C A . 70 HEC CHA 1 1 8 9654 3 2 1 HEC CHB C -0.377 -3.589 -2.002 1.00 . C A . 70 HEC CHB 1 1 8 9655 3 2 1 HEC CHC C -2.229 0.803 -1.035 1.00 . C A . 70 HEC CHC 1 1 8 9656 3 2 1 HEC CHD C -5.492 0.200 -4.573 1.00 . C A . 70 HEC CHD 1 1 8 9657 3 2 1 HEC CMA C 0.304 -6.319 -3.394 1.00 . C A . 70 HEC CMA 1 1 8 9658 3 2 1 HEC CMB C 1.065 -2.616 0.515 1.00 . C A . 70 HEC CMB 1 1 8 9659 3 2 1 HEC CMC C -3.935 3.356 -1.020 1.00 . C A . 70 HEC CMC 1 1 8 9660 3 2 1 HEC CMD C -7.033 -0.818 -7.093 1.00 . C A . 70 HEC CMD 1 1 8 9661 3 2 1 HEC FE FE -2.804 -1.610 -3.399 1.00 . C A . 70 HEC FE 1 1 8 9662 3 2 1 HEC HAA1 H -1.665 -6.020 -6.911 1.00 . C A . 70 HEC HAA1 1 1 8 9663 3 2 1 HEC HAA2 H -0.625 -7.018 -5.924 1.00 . C A . 70 HEC HAA2 1 1 8 9664 3 2 1 HEC HAB H -0.931 1.054 1.315 1.00 . C A . 70 HEC HAB 1 1 8 9665 3 2 1 HEC HAC H -7.107 2.170 -3.569 1.00 . C A . 70 HEC HAC 1 1 8 9666 3 2 1 HEC HAD1 H -5.628 -2.411 -8.908 1.00 . C A . 70 HEC HAD1 1 1 8 9667 3 2 1 HEC HAD2 H -4.275 -3.470 -8.571 1.00 . C A . 70 HEC HAD2 1 1 8 9668 3 2 1 HEC HBA1 H -3.645 -6.997 -5.623 1.00 . C A . 70 HEC HBA1 1 1 8 9669 3 2 1 HEC HBA2 H -2.767 -8.079 -6.707 1.00 . C A . 70 HEC HBA2 1 1 8 9670 3 2 1 HEC HBB1 H 1.236 1.486 0.218 1.00 . C A . 70 HEC HBB1 1 1 8 9671 3 2 1 HEC HBB2 H 1.201 1.647 1.978 1.00 . C A . 70 HEC HBB2 1 1 8 9672 3 2 1 HEC HBB3 H 1.948 0.218 1.226 1.00 . C A . 70 HEC HBB3 1 1 8 9673 3 2 1 HEC HBC1 H -6.258 3.837 -4.816 1.00 . C A . 70 HEC HBC1 1 1 8 9674 3 2 1 HEC HBC2 H -7.090 4.707 -3.520 1.00 . C A . 70 HEC HBC2 1 1 8 9675 3 2 1 HEC HBC3 H -5.313 4.562 -3.476 1.00 . C A . 70 HEC HBC3 1 1 8 9676 3 2 1 HEC HBD1 H -5.776 -5.193 -7.723 1.00 . C A . 70 HEC HBD1 1 1 8 9677 3 2 1 HEC HBD2 H -7.164 -4.100 -7.874 1.00 . C A . 70 HEC HBD2 1 1 8 9678 3 2 1 HEC HHA H -3.471 -4.656 -6.664 1.00 . C A . 70 HEC HHA 1 1 8 9679 3 2 1 HEC HHB H 0.375 -4.203 -1.533 1.00 . C A . 70 HEC HHB 1 1 8 9680 3 2 1 HEC HHC H -2.128 1.497 -0.219 1.00 . C A . 70 HEC HHC 1 1 8 9681 3 2 1 HEC HHD H -6.341 0.755 -4.910 1.00 . C A . 70 HEC HHD 1 1 8 9682 3 2 1 HEC HMA1 H 0.808 -6.698 -4.281 1.00 . C A . 70 HEC HMA1 1 1 8 9683 3 2 1 HEC HMA2 H 1.061 -5.896 -2.739 1.00 . C A . 70 HEC HMA2 1 1 8 9684 3 2 1 HEC HMA3 H -0.179 -7.160 -2.898 1.00 . C A . 70 HEC HMA3 1 1 8 9685 3 2 1 HEC HMB1 H 1.497 -1.985 1.285 1.00 . C A . 70 HEC HMB1 1 1 8 9686 3 2 1 HEC HMB2 H 0.575 -3.470 0.983 1.00 . C A . 70 HEC HMB2 1 1 8 9687 3 2 1 HEC HMB3 H 1.859 -2.966 -0.142 1.00 . C A . 70 HEC HMB3 1 1 8 9688 3 2 1 HEC HMC1 H -4.548 4.186 -1.363 1.00 . C A . 70 HEC HMC1 1 1 8 9689 3 2 1 HEC HMC2 H -4.244 3.083 -0.012 1.00 . C A . 70 HEC HMC2 1 1 8 9690 3 2 1 HEC HMC3 H -2.895 3.683 -1.013 1.00 . C A . 70 HEC HMC3 1 1 8 9691 3 2 1 HEC HMD1 H -7.837 -1.553 -7.111 1.00 . C A . 70 HEC HMD1 1 1 8 9692 3 2 1 HEC HMD2 H -7.394 0.078 -6.588 1.00 . C A . 70 HEC HMD2 1 1 8 9693 3 2 1 HEC HMD3 H -6.775 -0.549 -8.116 1.00 . C A . 70 HEC HMD3 1 1 8 9694 3 2 1 HEC NA N -2.045 -3.427 -3.819 1.00 . C A . 70 HEC NA 1 1 8 9695 3 2 1 HEC NB N -1.509 -1.394 -1.884 1.00 . C A . 70 HEC NB 1 1 8 9696 3 2 1 HEC NC N -3.638 0.178 -2.948 1.00 . C A . 70 HEC NC 1 1 8 9697 3 2 1 HEC ND N -4.150 -1.826 -4.928 1.00 . C A . 70 HEC ND 1 1 8 9698 3 2 1 HEC O1A O -1.293 -8.986 -4.531 1.00 . C A . 70 HEC O1A 1 1 8 9699 3 2 1 HEC O1D O -5.863 -4.162 -10.668 1.00 . C A . 70 HEC O1D 1 1 8 9700 3 2 1 HEC O2A O -3.431 -8.841 -3.929 1.00 . C A . 70 HEC O2A 1 1 8 9701 3 2 1 HEC O2D O -7.141 -5.822 -9.958 1.00 . C A . 70 HEC O2D 1 1 8 9702 4 2 1 HEC C1A C 2.691 -5.849 9.496 1.00 . D A . 71 HEC C1A 1 1 8 9703 4 2 1 HEC C1B C -0.172 -9.050 9.344 1.00 . D A . 71 HEC C1B 1 1 8 9704 4 2 1 HEC C1C C -1.551 -7.628 5.583 1.00 . D A . 71 HEC C1C 1 1 8 9705 4 2 1 HEC C1D C 1.355 -4.492 5.681 1.00 . D A . 71 HEC C1D 1 1 8 9706 4 2 1 HEC C2A C 3.271 -6.224 10.765 1.00 . D A . 71 HEC C2A 1 1 8 9707 4 2 1 HEC C2B C -1.107 -10.144 9.464 1.00 . D A . 71 HEC C2B 1 1 8 9708 4 2 1 HEC C2C C -2.131 -7.267 4.313 1.00 . D A . 71 HEC C2C 1 1 8 9709 4 2 1 HEC C2D C 2.276 -3.390 5.557 1.00 . D A . 71 HEC C2D 1 1 8 9710 4 2 1 HEC C3A C 2.531 -7.268 11.256 1.00 . D A . 71 HEC C3A 1 1 8 9711 4 2 1 HEC C3B C -1.962 -10.071 8.389 1.00 . D A . 71 HEC C3B 1 1 8 9712 4 2 1 HEC C3C C -1.529 -6.097 3.916 1.00 . D A . 71 HEC C3C 1 1 8 9713 4 2 1 HEC C3D C 2.994 -3.323 6.723 1.00 . D A . 71 HEC C3D 1 1 8 9714 4 2 1 HEC C4A C 1.603 -7.660 10.217 1.00 . D A . 71 HEC C4A 1 1 8 9715 4 2 1 HEC C4B C -1.426 -9.050 7.514 1.00 . D A . 71 HEC C4B 1 1 8 9716 4 2 1 HEC C4C C -0.475 -5.832 4.874 1.00 . D A . 71 HEC C4C 1 1 8 9717 4 2 1 HEC C4D C 2.593 -4.456 7.525 1.00 . D A . 71 HEC C4D 1 1 8 9718 4 2 1 HEC CAA C 4.574 -5.735 11.362 1.00 . D A . 71 HEC CAA 1 1 8 9719 4 2 1 HEC CAB C -3.357 -10.680 8.296 1.00 . D A . 71 HEC CAB 1 1 8 9720 4 2 1 HEC CAC C -1.844 -5.264 2.683 1.00 . D A . 71 HEC CAC 1 1 8 9721 4 2 1 HEC CAD C 3.930 -2.191 7.104 1.00 . D A . 71 HEC CAD 1 1 8 9722 4 2 1 HEC CBA C 5.739 -6.644 10.945 1.00 . D A . 71 HEC CBA 1 1 8 9723 4 2 1 HEC CBB C -4.233 -10.393 9.517 1.00 . D A . 71 HEC CBB 1 1 8 9724 4 2 1 HEC CBC C -3.327 -4.934 2.470 1.00 . D A . 71 HEC CBC 1 1 8 9725 4 2 1 HEC CBD C 5.405 -2.532 7.353 1.00 . D A . 71 HEC CBD 1 1 8 9726 4 2 1 HEC CGA C 7.121 -6.126 11.360 1.00 . D A . 71 HEC CGA 1 1 8 9727 4 2 1 HEC CGD C 6.104 -3.219 6.180 1.00 . D A . 71 HEC CGD 1 1 8 9728 4 2 1 HEC CHA C 3.119 -4.770 8.754 1.00 . D A . 71 HEC CHA 1 1 8 9729 4 2 1 HEC CHB C 0.748 -8.740 10.321 1.00 . D A . 71 HEC CHB 1 1 8 9730 4 2 1 HEC CHC C -1.976 -8.718 6.299 1.00 . D A . 71 HEC CHC 1 1 8 9731 4 2 1 HEC CHD C 0.420 -4.803 4.729 1.00 . D A . 71 HEC CHD 1 1 8 9732 4 2 1 HEC CMA C 2.676 -7.838 12.651 1.00 . D A . 71 HEC CMA 1 1 8 9733 4 2 1 HEC CMB C -1.151 -11.152 10.590 1.00 . D A . 71 HEC CMB 1 1 8 9734 4 2 1 HEC CMC C -3.178 -8.062 3.567 1.00 . D A . 71 HEC CMC 1 1 8 9735 4 2 1 HEC CMD C 2.446 -2.478 4.365 1.00 . D A . 71 HEC CMD 1 1 8 9736 4 2 1 HEC FE FE 0.609 -6.763 7.537 1.00 . D A . 71 HEC FE 1 1 8 9737 4 2 1 HEC HAA1 H 4.806 -4.722 11.042 1.00 . D A . 71 HEC HAA1 1 1 8 9738 4 2 1 HEC HAA2 H 4.518 -5.726 12.450 1.00 . D A . 71 HEC HAA2 1 1 8 9739 4 2 1 HEC HAB H -3.899 -10.211 7.483 1.00 . D A . 71 HEC HAB 1 1 8 9740 4 2 1 HEC HAC H -1.367 -4.293 2.762 1.00 . D A . 71 HEC HAC 1 1 8 9741 4 2 1 HEC HAD1 H 3.922 -1.441 6.317 1.00 . D A . 71 HEC HAD1 1 1 8 9742 4 2 1 HEC HAD2 H 3.534 -1.731 7.998 1.00 . D A . 71 HEC HAD2 1 1 8 9743 4 2 1 HEC HBA1 H 5.590 -7.629 11.389 1.00 . D A . 71 HEC HBA1 1 1 8 9744 4 2 1 HEC HBA2 H 5.698 -6.745 9.861 1.00 . D A . 71 HEC HBA2 1 1 8 9745 4 2 1 HEC HBB1 H -5.244 -10.758 9.324 1.00 . D A . 71 HEC HBB1 1 1 8 9746 4 2 1 HEC HBB2 H -3.850 -10.888 10.409 1.00 . D A . 71 HEC HBB2 1 1 8 9747 4 2 1 HEC HBB3 H -4.276 -9.317 9.686 1.00 . D A . 71 HEC HBB3 1 1 8 9748 4 2 1 HEC HBC1 H -3.907 -5.820 2.227 1.00 . D A . 71 HEC HBC1 1 1 8 9749 4 2 1 HEC HBC2 H -3.729 -4.469 3.367 1.00 . D A . 71 HEC HBC2 1 1 8 9750 4 2 1 HEC HBC3 H -3.420 -4.238 1.635 1.00 . D A . 71 HEC HBC3 1 1 8 9751 4 2 1 HEC HBD1 H 5.921 -1.594 7.568 1.00 . D A . 71 HEC HBD1 1 1 8 9752 4 2 1 HEC HBD2 H 5.513 -3.164 8.232 1.00 . D A . 71 HEC HBD2 1 1 8 9753 4 2 1 HEC HHA H 3.900 -4.149 9.143 1.00 . D A . 71 HEC HHA 1 1 8 9754 4 2 1 HEC HHB H 0.766 -9.345 11.204 1.00 . D A . 71 HEC HHB 1 1 8 9755 4 2 1 HEC HHC H -2.763 -9.315 5.879 1.00 . D A . 71 HEC HHC 1 1 8 9756 4 2 1 HEC HHD H 0.395 -4.230 3.822 1.00 . D A . 71 HEC HHD 1 1 8 9757 4 2 1 HEC HMA1 H 2.421 -7.054 13.365 1.00 . D A . 71 HEC HMA1 1 1 8 9758 4 2 1 HEC HMA2 H 2.025 -8.688 12.832 1.00 . D A . 71 HEC HMA2 1 1 8 9759 4 2 1 HEC HMA3 H 3.712 -8.128 12.822 1.00 . D A . 71 HEC HMA3 1 1 8 9760 4 2 1 HEC HMB1 H -1.539 -10.679 11.491 1.00 . D A . 71 HEC HMB1 1 1 8 9761 4 2 1 HEC HMB2 H -1.789 -11.993 10.318 1.00 . D A . 71 HEC HMB2 1 1 8 9762 4 2 1 HEC HMB3 H -0.150 -11.535 10.776 1.00 . D A . 71 HEC HMB3 1 1 8 9763 4 2 1 HEC HMC1 H -2.996 -9.129 3.681 1.00 . D A . 71 HEC HMC1 1 1 8 9764 4 2 1 HEC HMC2 H -4.167 -7.820 3.958 1.00 . D A . 71 HEC HMC2 1 1 8 9765 4 2 1 HEC HMC3 H -3.124 -7.839 2.504 1.00 . D A . 71 HEC HMC3 1 1 8 9766 4 2 1 HEC HMD1 H 1.939 -1.528 4.503 1.00 . D A . 71 HEC HMD1 1 1 8 9767 4 2 1 HEC HMD2 H 3.508 -2.298 4.244 1.00 . D A . 71 HEC HMD2 1 1 8 9768 4 2 1 HEC HMD3 H 2.073 -2.940 3.459 1.00 . D A . 71 HEC HMD3 1 1 8 9769 4 2 1 HEC NA N 1.718 -6.767 9.196 1.00 . D A . 71 HEC NA 1 1 8 9770 4 2 1 HEC NB N -0.390 -8.434 8.159 1.00 . D A . 71 HEC NB 1 1 8 9771 4 2 1 HEC NC N -0.570 -6.744 5.886 1.00 . D A . 71 HEC NC 1 1 8 9772 4 2 1 HEC ND N 1.588 -5.107 6.872 1.00 . D A . 71 HEC ND 1 1 8 9773 4 2 1 HEC O1A O 8.113 -6.610 10.760 1.00 . D A . 71 HEC O1A 1 1 8 9774 4 2 1 HEC O1D O 5.421 -3.912 5.393 1.00 . D A . 71 HEC O1D 1 1 8 9775 4 2 1 HEC O2A O 7.158 -5.279 12.281 1.00 . D A . 71 HEC O2A 1 1 8 9776 4 2 1 HEC O2D O 7.346 -3.160 6.142 1.00 . D A . 71 HEC O2D 1 1 9 9777 1 1 1 ALA C C 8.698 4.300 -9.651 1.00 . A A . 1 ALA C 1 1 9 9778 1 1 1 ALA CA C 9.249 5.213 -8.566 1.00 . A A . 1 ALA CA 1 1 9 9779 1 1 1 ALA CB C 8.417 6.491 -8.417 1.00 . A A . 1 ALA CB 1 1 9 9780 1 1 1 ALA H1 H 10.650 5.944 -9.838 1.00 . A A . 1 ALA H1 1 1 9 9781 1 1 1 ALA H2 H 11.127 6.046 -8.236 1.00 . A A . 1 ALA H2 1 1 9 9782 1 1 1 ALA H3 H 11.112 4.595 -9.058 1.00 . A A . 1 ALA H3 1 1 9 9783 1 1 1 ALA HA H 9.250 4.690 -7.608 1.00 . A A . 1 ALA HA 1 1 9 9784 1 1 1 ALA HB1 H 8.406 7.050 -9.355 1.00 . A A . 1 ALA HB1 1 1 9 9785 1 1 1 ALA HB2 H 7.392 6.231 -8.148 1.00 . A A . 1 ALA HB2 1 1 9 9786 1 1 1 ALA HB3 H 8.835 7.120 -7.629 1.00 . A A . 1 ALA HB3 1 1 9 9787 1 1 1 ALA N N 10.646 5.499 -8.931 1.00 . A A . 1 ALA N 1 1 9 9788 1 1 1 ALA O O 8.673 4.701 -10.812 1.00 . A A . 1 ALA O 1 1 9 9789 1 1 2 ASP C C 7.870 0.717 -9.355 1.00 . A A . 2 ASP C 1 1 9 9790 1 1 2 ASP CA C 8.426 1.902 -10.155 1.00 . A A . 2 ASP CA 1 1 9 9791 1 1 2 ASP CB C 9.824 1.695 -10.741 1.00 . A A . 2 ASP CB 1 1 9 9792 1 1 2 ASP CG C 10.932 1.913 -9.721 1.00 . A A . 2 ASP CG 1 1 9 9793 1 1 2 ASP H H 8.326 2.815 -8.310 1.00 . A A . 2 ASP H 1 1 9 9794 1 1 2 ASP HA H 7.806 2.100 -11.013 1.00 . A A . 2 ASP HA 1 1 9 9795 1 1 2 ASP HB2 H 9.874 0.694 -11.165 1.00 . A A . 2 ASP HB2 1 1 9 9796 1 1 2 ASP HB3 H 9.937 2.411 -11.555 1.00 . A A . 2 ASP HB3 1 1 9 9797 1 1 2 ASP N N 8.394 3.054 -9.283 1.00 . A A . 2 ASP N 1 1 9 9798 1 1 2 ASP O O 6.662 0.483 -9.402 1.00 . A A . 2 ASP O 1 1 9 9799 1 1 2 ASP OD1 O 11.216 0.935 -9.004 1.00 . A A . 2 ASP OD1 1 1 9 9800 1 1 2 ASP OD2 O 11.387 3.076 -9.595 1.00 . A A . 2 ASP OD2 1 1 9 9801 1 1 3 VAL C C 9.158 -0.966 -6.377 1.00 . A A . 3 VAL C 1 1 9 9802 1 1 3 VAL CA C 8.286 -1.013 -7.634 1.00 . A A . 3 VAL CA 1 1 9 9803 1 1 3 VAL CB C 8.302 -2.380 -8.346 1.00 . A A . 3 VAL CB 1 1 9 9804 1 1 3 VAL CG1 C 9.668 -2.719 -8.959 1.00 . A A . 3 VAL CG1 1 1 9 9805 1 1 3 VAL CG2 C 7.868 -3.514 -7.408 1.00 . A A . 3 VAL CG2 1 1 9 9806 1 1 3 VAL H H 9.697 0.275 -8.558 1.00 . A A . 3 VAL H 1 1 9 9807 1 1 3 VAL HA H 7.268 -0.819 -7.312 1.00 . A A . 3 VAL HA 1 1 9 9808 1 1 3 VAL HB H 7.577 -2.337 -9.161 1.00 . A A . 3 VAL HB 1 1 9 9809 1 1 3 VAL HG11 H 10.426 -2.801 -8.181 1.00 . A A . 3 VAL HG11 1 1 9 9810 1 1 3 VAL HG12 H 9.601 -3.670 -9.487 1.00 . A A . 3 VAL HG12 1 1 9 9811 1 1 3 VAL HG13 H 9.969 -1.950 -9.672 1.00 . A A . 3 VAL HG13 1 1 9 9812 1 1 3 VAL HG21 H 8.598 -3.661 -6.613 1.00 . A A . 3 VAL HG21 1 1 9 9813 1 1 3 VAL HG22 H 6.899 -3.287 -6.967 1.00 . A A . 3 VAL HG22 1 1 9 9814 1 1 3 VAL HG23 H 7.776 -4.440 -7.976 1.00 . A A . 3 VAL HG23 1 1 9 9815 1 1 3 VAL N N 8.699 0.043 -8.552 1.00 . A A . 3 VAL N 1 1 9 9816 1 1 3 VAL O O 10.366 -0.769 -6.471 1.00 . A A . 3 VAL O 1 1 9 9817 1 1 4 VAL C C 8.747 -2.346 -3.134 1.00 . A A . 4 VAL C 1 1 9 9818 1 1 4 VAL CA C 9.257 -1.148 -3.920 1.00 . A A . 4 VAL CA 1 1 9 9819 1 1 4 VAL CB C 9.047 0.171 -3.153 1.00 . A A . 4 VAL CB 1 1 9 9820 1 1 4 VAL CG1 C 9.604 0.147 -1.715 1.00 . A A . 4 VAL CG1 1 1 9 9821 1 1 4 VAL CG2 C 9.727 1.328 -3.884 1.00 . A A . 4 VAL CG2 1 1 9 9822 1 1 4 VAL H H 7.551 -1.325 -5.167 1.00 . A A . 4 VAL H 1 1 9 9823 1 1 4 VAL HA H 10.326 -1.290 -4.060 1.00 . A A . 4 VAL HA 1 1 9 9824 1 1 4 VAL HB H 7.981 0.378 -3.127 1.00 . A A . 4 VAL HB 1 1 9 9825 1 1 4 VAL HG11 H 9.514 1.133 -1.262 1.00 . A A . 4 VAL HG11 1 1 9 9826 1 1 4 VAL HG12 H 9.063 -0.555 -1.079 1.00 . A A . 4 VAL HG12 1 1 9 9827 1 1 4 VAL HG13 H 10.657 -0.137 -1.726 1.00 . A A . 4 VAL HG13 1 1 9 9828 1 1 4 VAL HG21 H 9.306 1.446 -4.880 1.00 . A A . 4 VAL HG21 1 1 9 9829 1 1 4 VAL HG22 H 9.570 2.248 -3.321 1.00 . A A . 4 VAL HG22 1 1 9 9830 1 1 4 VAL HG23 H 10.797 1.129 -3.957 1.00 . A A . 4 VAL HG23 1 1 9 9831 1 1 4 VAL N N 8.548 -1.113 -5.196 1.00 . A A . 4 VAL N 1 1 9 9832 1 1 4 VAL O O 7.690 -2.899 -3.446 1.00 . A A . 4 VAL O 1 1 9 9833 1 1 5 THR C C 9.345 -3.024 0.337 1.00 . A A . 5 THR C 1 1 9 9834 1 1 5 THR CA C 8.939 -3.540 -1.039 1.00 . A A . 5 THR CA 1 1 9 9835 1 1 5 THR CB C 9.347 -5.008 -1.252 1.00 . A A . 5 THR CB 1 1 9 9836 1 1 5 THR CG2 C 10.863 -5.242 -1.234 1.00 . A A . 5 THR CG2 1 1 9 9837 1 1 5 THR H H 10.357 -2.254 -1.883 1.00 . A A . 5 THR H 1 1 9 9838 1 1 5 THR HA H 7.858 -3.397 -1.087 1.00 . A A . 5 THR HA 1 1 9 9839 1 1 5 THR HB H 8.966 -5.342 -2.216 1.00 . A A . 5 THR HB 1 1 9 9840 1 1 5 THR HG1 H 8.041 -5.261 0.116 1.00 . A A . 5 THR HG1 1 1 9 9841 1 1 5 THR HG21 H 11.282 -4.972 -0.265 1.00 . A A . 5 THR HG21 1 1 9 9842 1 1 5 THR HG22 H 11.063 -6.298 -1.416 1.00 . A A . 5 THR HG22 1 1 9 9843 1 1 5 THR HG23 H 11.347 -4.654 -2.013 1.00 . A A . 5 THR HG23 1 1 9 9844 1 1 5 THR N N 9.490 -2.727 -2.093 1.00 . A A . 5 THR N 1 1 9 9845 1 1 5 THR O O 10.481 -2.603 0.543 1.00 . A A . 5 THR O 1 1 9 9846 1 1 5 THR OG1 O 8.766 -5.787 -0.238 1.00 . A A . 5 THR OG1 1 1 9 9847 1 1 6 TYR C C 9.261 -4.419 3.103 1.00 . A A . 6 TYR C 1 1 9 9848 1 1 6 TYR CA C 8.699 -3.053 2.701 1.00 . A A . 6 TYR CA 1 1 9 9849 1 1 6 TYR CB C 7.457 -2.688 3.527 1.00 . A A . 6 TYR CB 1 1 9 9850 1 1 6 TYR CD1 C 7.016 -0.228 3.048 1.00 . A A . 6 TYR CD1 1 1 9 9851 1 1 6 TYR CD2 C 5.486 -1.903 2.184 1.00 . A A . 6 TYR CD2 1 1 9 9852 1 1 6 TYR CE1 C 6.274 0.769 2.392 1.00 . A A . 6 TYR CE1 1 1 9 9853 1 1 6 TYR CE2 C 4.700 -0.903 1.601 1.00 . A A . 6 TYR CE2 1 1 9 9854 1 1 6 TYR CG C 6.616 -1.572 2.946 1.00 . A A . 6 TYR CG 1 1 9 9855 1 1 6 TYR CZ C 5.085 0.439 1.722 1.00 . A A . 6 TYR CZ 1 1 9 9856 1 1 6 TYR H H 7.478 -3.408 0.994 1.00 . A A . 6 TYR H 1 1 9 9857 1 1 6 TYR HA H 9.428 -2.271 2.881 1.00 . A A . 6 TYR HA 1 1 9 9858 1 1 6 TYR HB2 H 6.822 -3.565 3.637 1.00 . A A . 6 TYR HB2 1 1 9 9859 1 1 6 TYR HB3 H 7.781 -2.400 4.529 1.00 . A A . 6 TYR HB3 1 1 9 9860 1 1 6 TYR HD1 H 7.922 0.035 3.576 1.00 . A A . 6 TYR HD1 1 1 9 9861 1 1 6 TYR HD2 H 5.264 -2.930 1.981 1.00 . A A . 6 TYR HD2 1 1 9 9862 1 1 6 TYR HE1 H 6.657 1.778 2.353 1.00 . A A . 6 TYR HE1 1 1 9 9863 1 1 6 TYR HE2 H 3.912 -1.182 0.921 1.00 . A A . 6 TYR HE2 1 1 9 9864 1 1 6 TYR HH H 4.217 1.023 0.109 1.00 . A A . 6 TYR HH 1 1 9 9865 1 1 6 TYR N N 8.401 -3.099 1.279 1.00 . A A . 6 TYR N 1 1 9 9866 1 1 6 TYR O O 8.502 -5.384 3.246 1.00 . A A . 6 TYR O 1 1 9 9867 1 1 6 TYR OH O 4.437 1.373 0.979 1.00 . A A . 6 TYR OH 1 1 9 9868 1 1 7 GLU C C 11.029 -5.944 5.219 1.00 . A A . 7 GLU C 1 1 9 9869 1 1 7 GLU CA C 11.217 -5.753 3.711 1.00 . A A . 7 GLU CA 1 1 9 9870 1 1 7 GLU CB C 12.666 -5.871 3.259 1.00 . A A . 7 GLU CB 1 1 9 9871 1 1 7 GLU CD C 15.010 -4.954 3.331 1.00 . A A . 7 GLU CD 1 1 9 9872 1 1 7 GLU CG C 13.531 -4.627 3.510 1.00 . A A . 7 GLU CG 1 1 9 9873 1 1 7 GLU H H 11.177 -3.735 3.038 1.00 . A A . 7 GLU H 1 1 9 9874 1 1 7 GLU HA H 10.713 -6.580 3.216 1.00 . A A . 7 GLU HA 1 1 9 9875 1 1 7 GLU HB2 H 13.070 -6.725 3.801 1.00 . A A . 7 GLU HB2 1 1 9 9876 1 1 7 GLU HB3 H 12.671 -6.106 2.196 1.00 . A A . 7 GLU HB3 1 1 9 9877 1 1 7 GLU HG2 H 13.261 -3.832 2.814 1.00 . A A . 7 GLU HG2 1 1 9 9878 1 1 7 GLU HG3 H 13.395 -4.270 4.529 1.00 . A A . 7 GLU HG3 1 1 9 9879 1 1 7 GLU N N 10.586 -4.527 3.248 1.00 . A A . 7 GLU N 1 1 9 9880 1 1 7 GLU O O 11.906 -5.712 6.047 1.00 . A A . 7 GLU O 1 1 9 9881 1 1 7 GLU OE1 O 15.499 -5.802 4.110 1.00 . A A . 7 GLU OE1 1 1 9 9882 1 1 7 GLU OE2 O 15.618 -4.363 2.414 1.00 . A A . 7 GLU OE2 1 1 9 9883 1 1 8 ASN C C 10.023 -7.858 7.471 1.00 . A A . 8 ASN C 1 1 9 9884 1 1 8 ASN CA C 9.364 -6.618 6.908 1.00 . A A . 8 ASN CA 1 1 9 9885 1 1 8 ASN CB C 7.854 -6.834 6.908 1.00 . A A . 8 ASN CB 1 1 9 9886 1 1 8 ASN CG C 7.115 -5.752 6.140 1.00 . A A . 8 ASN CG 1 1 9 9887 1 1 8 ASN H H 9.220 -6.561 4.770 1.00 . A A . 8 ASN H 1 1 9 9888 1 1 8 ASN HA H 9.622 -5.769 7.543 1.00 . A A . 8 ASN HA 1 1 9 9889 1 1 8 ASN HB2 H 7.658 -7.800 6.454 1.00 . A A . 8 ASN HB2 1 1 9 9890 1 1 8 ASN HB3 H 7.491 -6.858 7.931 1.00 . A A . 8 ASN HB3 1 1 9 9891 1 1 8 ASN HD21 H 6.040 -7.147 5.129 1.00 . A A . 8 ASN HD21 1 1 9 9892 1 1 8 ASN HD22 H 5.684 -5.455 4.769 1.00 . A A . 8 ASN HD22 1 1 9 9893 1 1 8 ASN N N 9.830 -6.397 5.551 1.00 . A A . 8 ASN N 1 1 9 9894 1 1 8 ASN ND2 N 6.171 -6.158 5.303 1.00 . A A . 8 ASN ND2 1 1 9 9895 1 1 8 ASN O O 10.534 -8.691 6.720 1.00 . A A . 8 ASN O 1 1 9 9896 1 1 8 ASN OD1 O 7.422 -4.575 6.261 1.00 . A A . 8 ASN OD1 1 1 9 9897 1 1 9 LYS C C 9.409 -10.296 9.394 1.00 . A A . 9 LYS C 1 1 9 9898 1 1 9 LYS CA C 10.462 -9.193 9.444 1.00 . A A . 9 LYS CA 1 1 9 9899 1 1 9 LYS CB C 10.891 -8.868 10.879 1.00 . A A . 9 LYS CB 1 1 9 9900 1 1 9 LYS CD C 13.117 -7.820 10.073 1.00 . A A . 9 LYS CD 1 1 9 9901 1 1 9 LYS CE C 13.912 -9.112 10.329 1.00 . A A . 9 LYS CE 1 1 9 9902 1 1 9 LYS CG C 11.881 -7.696 10.979 1.00 . A A . 9 LYS CG 1 1 9 9903 1 1 9 LYS H H 9.343 -7.413 9.359 1.00 . A A . 9 LYS H 1 1 9 9904 1 1 9 LYS HA H 11.322 -9.539 8.870 1.00 . A A . 9 LYS HA 1 1 9 9905 1 1 9 LYS HB2 H 10.008 -8.617 11.470 1.00 . A A . 9 LYS HB2 1 1 9 9906 1 1 9 LYS HB3 H 11.335 -9.759 11.312 1.00 . A A . 9 LYS HB3 1 1 9 9907 1 1 9 LYS HD2 H 12.800 -7.767 9.029 1.00 . A A . 9 LYS HD2 1 1 9 9908 1 1 9 LYS HD3 H 13.753 -6.955 10.270 1.00 . A A . 9 LYS HD3 1 1 9 9909 1 1 9 LYS HE2 H 14.208 -9.151 11.378 1.00 . A A . 9 LYS HE2 1 1 9 9910 1 1 9 LYS HE3 H 13.289 -9.981 10.115 1.00 . A A . 9 LYS HE3 1 1 9 9911 1 1 9 LYS HG2 H 11.352 -6.776 10.719 1.00 . A A . 9 LYS HG2 1 1 9 9912 1 1 9 LYS HG3 H 12.198 -7.607 12.019 1.00 . A A . 9 LYS HG3 1 1 9 9913 1 1 9 LYS HZ1 H 15.740 -8.421 9.674 1.00 . A A . 9 LYS HZ1 1 1 9 9914 1 1 9 LYS HZ2 H 15.604 -10.060 9.653 1.00 . A A . 9 LYS HZ2 1 1 9 9915 1 1 9 LYS HZ3 H 14.854 -9.160 8.499 1.00 . A A . 9 LYS HZ3 1 1 9 9916 1 1 9 LYS N N 9.952 -8.013 8.792 1.00 . A A . 9 LYS N 1 1 9 9917 1 1 9 LYS NZ N 15.116 -9.192 9.475 1.00 . A A . 9 LYS NZ 1 1 9 9918 1 1 9 LYS O O 9.762 -11.450 9.162 1.00 . A A . 9 LYS O 1 1 9 9919 1 1 10 LYS C C 7.100 -11.559 8.013 1.00 . A A . 10 LYS C 1 1 9 9920 1 1 10 LYS CA C 7.074 -10.968 9.427 1.00 . A A . 10 LYS CA 1 1 9 9921 1 1 10 LYS CB C 5.697 -10.465 9.902 1.00 . A A . 10 LYS CB 1 1 9 9922 1 1 10 LYS CD C 4.035 -10.655 7.861 1.00 . A A . 10 LYS CD 1 1 9 9923 1 1 10 LYS CE C 3.814 -12.131 8.231 1.00 . A A . 10 LYS CE 1 1 9 9924 1 1 10 LYS CG C 4.775 -9.772 8.886 1.00 . A A . 10 LYS CG 1 1 9 9925 1 1 10 LYS H H 7.914 -8.991 9.855 1.00 . A A . 10 LYS H 1 1 9 9926 1 1 10 LYS HA H 7.292 -11.793 10.104 1.00 . A A . 10 LYS HA 1 1 9 9927 1 1 10 LYS HB2 H 5.158 -11.307 10.334 1.00 . A A . 10 LYS HB2 1 1 9 9928 1 1 10 LYS HB3 H 5.876 -9.767 10.722 1.00 . A A . 10 LYS HB3 1 1 9 9929 1 1 10 LYS HD2 H 3.061 -10.189 7.693 1.00 . A A . 10 LYS HD2 1 1 9 9930 1 1 10 LYS HD3 H 4.570 -10.617 6.914 1.00 . A A . 10 LYS HD3 1 1 9 9931 1 1 10 LYS HE2 H 4.760 -12.656 8.305 1.00 . A A . 10 LYS HE2 1 1 9 9932 1 1 10 LYS HE3 H 3.331 -12.214 9.203 1.00 . A A . 10 LYS HE3 1 1 9 9933 1 1 10 LYS HG2 H 4.001 -9.279 9.474 1.00 . A A . 10 LYS HG2 1 1 9 9934 1 1 10 LYS HG3 H 5.318 -8.985 8.363 1.00 . A A . 10 LYS HG3 1 1 9 9935 1 1 10 LYS HZ1 H 3.173 -13.830 7.123 1.00 . A A . 10 LYS HZ1 1 1 9 9936 1 1 10 LYS HZ2 H 2.066 -12.597 7.178 1.00 . A A . 10 LYS HZ2 1 1 9 9937 1 1 10 LYS HZ3 H 3.425 -12.572 6.253 1.00 . A A . 10 LYS HZ3 1 1 9 9938 1 1 10 LYS N N 8.125 -9.958 9.581 1.00 . A A . 10 LYS N 1 1 9 9939 1 1 10 LYS NZ N 3.047 -12.815 7.170 1.00 . A A . 10 LYS NZ 1 1 9 9940 1 1 10 LYS O O 7.078 -12.776 7.844 1.00 . A A . 10 LYS O 1 1 9 9941 1 1 11 GLY C C 6.940 -9.891 4.714 1.00 . A A . 11 GLY C 1 1 9 9942 1 1 11 GLY CA C 7.026 -11.121 5.608 1.00 . A A . 11 GLY CA 1 1 9 9943 1 1 11 GLY H H 7.171 -9.711 7.195 1.00 . A A . 11 GLY H 1 1 9 9944 1 1 11 GLY HA2 H 7.906 -11.716 5.359 1.00 . A A . 11 GLY HA2 1 1 9 9945 1 1 11 GLY HA3 H 6.137 -11.734 5.458 1.00 . A A . 11 GLY HA3 1 1 9 9946 1 1 11 GLY N N 7.123 -10.699 6.995 1.00 . A A . 11 GLY N 1 1 9 9947 1 1 11 GLY O O 6.109 -9.003 4.953 1.00 . A A . 11 GLY O 1 1 9 9948 1 1 12 ASN C C 6.711 -8.325 2.158 1.00 . A A . 12 ASN C 1 1 9 9949 1 1 12 ASN CA C 8.030 -8.680 2.849 1.00 . A A . 12 ASN CA 1 1 9 9950 1 1 12 ASN CB C 9.106 -8.994 1.795 1.00 . A A . 12 ASN CB 1 1 9 9951 1 1 12 ASN CG C 10.532 -9.170 2.327 1.00 . A A . 12 ASN CG 1 1 9 9952 1 1 12 ASN H H 8.446 -10.621 3.594 1.00 . A A . 12 ASN H 1 1 9 9953 1 1 12 ASN HA H 8.379 -7.835 3.439 1.00 . A A . 12 ASN HA 1 1 9 9954 1 1 12 ASN HB2 H 8.823 -9.897 1.252 1.00 . A A . 12 ASN HB2 1 1 9 9955 1 1 12 ASN HB3 H 9.133 -8.168 1.082 1.00 . A A . 12 ASN HB3 1 1 9 9956 1 1 12 ASN HD21 H 10.031 -9.042 4.332 1.00 . A A . 12 ASN HD21 1 1 9 9957 1 1 12 ASN HD22 H 11.710 -9.281 3.951 1.00 . A A . 12 ASN HD22 1 1 9 9958 1 1 12 ASN N N 7.842 -9.822 3.734 1.00 . A A . 12 ASN N 1 1 9 9959 1 1 12 ASN ND2 N 10.756 -9.172 3.642 1.00 . A A . 12 ASN ND2 1 1 9 9960 1 1 12 ASN O O 5.994 -9.219 1.706 1.00 . A A . 12 ASN O 1 1 9 9961 1 1 12 ASN OD1 O 11.459 -9.316 1.538 1.00 . A A . 12 ASN OD1 1 1 9 9962 1 1 13 VAL C C 5.704 -5.773 0.139 1.00 . A A . 13 VAL C 1 1 9 9963 1 1 13 VAL CA C 5.220 -6.525 1.370 1.00 . A A . 13 VAL CA 1 1 9 9964 1 1 13 VAL CB C 4.399 -5.601 2.278 1.00 . A A . 13 VAL CB 1 1 9 9965 1 1 13 VAL CG1 C 3.345 -4.825 1.483 1.00 . A A . 13 VAL CG1 1 1 9 9966 1 1 13 VAL CG2 C 3.681 -6.404 3.354 1.00 . A A . 13 VAL CG2 1 1 9 9967 1 1 13 VAL H H 7.044 -6.348 2.466 1.00 . A A . 13 VAL H 1 1 9 9968 1 1 13 VAL HA H 4.570 -7.341 1.050 1.00 . A A . 13 VAL HA 1 1 9 9969 1 1 13 VAL HB H 5.073 -4.910 2.779 1.00 . A A . 13 VAL HB 1 1 9 9970 1 1 13 VAL HG11 H 2.693 -4.298 2.174 1.00 . A A . 13 VAL HG11 1 1 9 9971 1 1 13 VAL HG12 H 3.816 -4.096 0.823 1.00 . A A . 13 VAL HG12 1 1 9 9972 1 1 13 VAL HG13 H 2.755 -5.513 0.881 1.00 . A A . 13 VAL HG13 1 1 9 9973 1 1 13 VAL HG21 H 3.372 -5.741 4.161 1.00 . A A . 13 VAL HG21 1 1 9 9974 1 1 13 VAL HG22 H 2.805 -6.898 2.940 1.00 . A A . 13 VAL HG22 1 1 9 9975 1 1 13 VAL HG23 H 4.369 -7.149 3.733 1.00 . A A . 13 VAL HG23 1 1 9 9976 1 1 13 VAL N N 6.391 -7.030 2.082 1.00 . A A . 13 VAL N 1 1 9 9977 1 1 13 VAL O O 6.321 -4.715 0.279 1.00 . A A . 13 VAL O 1 1 9 9978 1 1 14 THR C C 4.643 -4.719 -2.719 1.00 . A A . 14 THR C 1 1 9 9979 1 1 14 THR CA C 5.774 -5.663 -2.308 1.00 . A A . 14 THR CA 1 1 9 9980 1 1 14 THR CB C 6.098 -6.729 -3.369 1.00 . A A . 14 THR CB 1 1 9 9981 1 1 14 THR CG2 C 4.877 -7.544 -3.810 1.00 . A A . 14 THR CG2 1 1 9 9982 1 1 14 THR H H 4.870 -7.146 -1.081 1.00 . A A . 14 THR H 1 1 9 9983 1 1 14 THR HA H 6.674 -5.070 -2.169 1.00 . A A . 14 THR HA 1 1 9 9984 1 1 14 THR HB H 6.826 -7.417 -2.934 1.00 . A A . 14 THR HB 1 1 9 9985 1 1 14 THR HG1 H 6.069 -5.642 -5.002 1.00 . A A . 14 THR HG1 1 1 9 9986 1 1 14 THR HG21 H 4.399 -8.009 -2.949 1.00 . A A . 14 THR HG21 1 1 9 9987 1 1 14 THR HG22 H 4.152 -6.909 -4.319 1.00 . A A . 14 THR HG22 1 1 9 9988 1 1 14 THR HG23 H 5.198 -8.327 -4.497 1.00 . A A . 14 THR HG23 1 1 9 9989 1 1 14 THR N N 5.435 -6.310 -1.049 1.00 . A A . 14 THR N 1 1 9 9990 1 1 14 THR O O 3.487 -4.931 -2.349 1.00 . A A . 14 THR O 1 1 9 9991 1 1 14 THR OG1 O 6.714 -6.149 -4.501 1.00 . A A . 14 THR OG1 1 1 9 9992 1 1 15 PHE C C 4.568 -2.201 -5.371 1.00 . A A . 15 PHE C 1 1 9 9993 1 1 15 PHE CA C 3.984 -2.797 -4.092 1.00 . A A . 15 PHE CA 1 1 9 9994 1 1 15 PHE CB C 3.498 -1.720 -3.109 1.00 . A A . 15 PHE CB 1 1 9 9995 1 1 15 PHE CD1 C 5.453 -1.285 -1.574 1.00 . A A . 15 PHE CD1 1 1 9 9996 1 1 15 PHE CD2 C 4.561 0.570 -2.880 1.00 . A A . 15 PHE CD2 1 1 9 9997 1 1 15 PHE CE1 C 6.362 -0.413 -0.963 1.00 . A A . 15 PHE CE1 1 1 9 9998 1 1 15 PHE CE2 C 5.438 1.451 -2.227 1.00 . A A . 15 PHE CE2 1 1 9 9999 1 1 15 PHE CG C 4.553 -0.797 -2.539 1.00 . A A . 15 PHE CG 1 1 9 10000 1 1 15 PHE CZ C 6.326 0.958 -1.257 1.00 . A A . 15 PHE CZ 1 1 9 10001 1 1 15 PHE H H 5.949 -3.481 -3.683 1.00 . A A . 15 PHE H 1 1 9 10002 1 1 15 PHE HA H 3.114 -3.396 -4.362 1.00 . A A . 15 PHE HA 1 1 9 10003 1 1 15 PHE HB2 H 2.741 -1.116 -3.610 1.00 . A A . 15 PHE HB2 1 1 9 10004 1 1 15 PHE HB3 H 3.013 -2.210 -2.268 1.00 . A A . 15 PHE HB3 1 1 9 10005 1 1 15 PHE HD1 H 5.430 -2.320 -1.268 1.00 . A A . 15 PHE HD1 1 1 9 10006 1 1 15 PHE HD2 H 3.890 0.954 -3.635 1.00 . A A . 15 PHE HD2 1 1 9 10007 1 1 15 PHE HE1 H 7.014 -0.779 -0.183 1.00 . A A . 15 PHE HE1 1 1 9 10008 1 1 15 PHE HE2 H 5.437 2.504 -2.475 1.00 . A A . 15 PHE HE2 1 1 9 10009 1 1 15 PHE HZ H 6.980 1.621 -0.721 1.00 . A A . 15 PHE HZ 1 1 9 10010 1 1 15 PHE N N 4.968 -3.677 -3.486 1.00 . A A . 15 PHE N 1 1 9 10011 1 1 15 PHE O O 5.622 -1.562 -5.352 1.00 . A A . 15 PHE O 1 1 9 10012 1 1 16 ASP C C 3.713 -0.304 -7.601 1.00 . A A . 16 ASP C 1 1 9 10013 1 1 16 ASP CA C 4.182 -1.749 -7.738 1.00 . A A . 16 ASP CA 1 1 9 10014 1 1 16 ASP CB C 3.537 -2.430 -8.948 1.00 . A A . 16 ASP CB 1 1 9 10015 1 1 16 ASP CG C 4.497 -3.307 -9.733 1.00 . A A . 16 ASP CG 1 1 9 10016 1 1 16 ASP H H 3.032 -2.984 -6.434 1.00 . A A . 16 ASP H 1 1 9 10017 1 1 16 ASP HA H 5.260 -1.761 -7.901 1.00 . A A . 16 ASP HA 1 1 9 10018 1 1 16 ASP HB2 H 2.641 -2.988 -8.676 1.00 . A A . 16 ASP HB2 1 1 9 10019 1 1 16 ASP HB3 H 3.278 -1.633 -9.636 1.00 . A A . 16 ASP HB3 1 1 9 10020 1 1 16 ASP N N 3.870 -2.424 -6.488 1.00 . A A . 16 ASP N 1 1 9 10021 1 1 16 ASP O O 2.516 -0.015 -7.642 1.00 . A A . 16 ASP O 1 1 9 10022 1 1 16 ASP OD1 O 5.085 -4.219 -9.120 1.00 . A A . 16 ASP OD1 1 1 9 10023 1 1 16 ASP OD2 O 4.614 -3.038 -10.951 1.00 . A A . 16 ASP OD2 1 1 9 10024 1 1 17 HIS C C 3.813 2.569 -8.495 1.00 . A A . 17 HIS C 1 1 9 10025 1 1 17 HIS CA C 4.502 2.015 -7.248 1.00 . A A . 17 HIS CA 1 1 9 10026 1 1 17 HIS CB C 5.911 2.604 -7.082 1.00 . A A . 17 HIS CB 1 1 9 10027 1 1 17 HIS CD2 C 5.152 4.794 -5.967 1.00 . A A . 17 HIS CD2 1 1 9 10028 1 1 17 HIS CE1 C 6.960 5.215 -4.807 1.00 . A A . 17 HIS CE1 1 1 9 10029 1 1 17 HIS CG C 6.056 3.790 -6.185 1.00 . A A . 17 HIS CG 1 1 9 10030 1 1 17 HIS H H 5.622 0.261 -7.569 1.00 . A A . 17 HIS H 1 1 9 10031 1 1 17 HIS HA H 3.899 2.190 -6.357 1.00 . A A . 17 HIS HA 1 1 9 10032 1 1 17 HIS HB2 H 6.582 1.841 -6.683 1.00 . A A . 17 HIS HB2 1 1 9 10033 1 1 17 HIS HB3 H 6.283 2.908 -8.052 1.00 . A A . 17 HIS HB3 1 1 9 10034 1 1 17 HIS HD1 H 8.013 3.493 -5.376 1.00 . A A . 17 HIS HD1 1 1 9 10035 1 1 17 HIS HD2 H 4.165 4.872 -6.395 1.00 . A A . 17 HIS HD2 1 1 9 10036 1 1 17 HIS HE1 H 7.669 5.659 -4.136 1.00 . A A . 17 HIS HE1 1 1 9 10037 1 1 17 HIS N N 4.678 0.591 -7.433 1.00 . A A . 17 HIS N 1 1 9 10038 1 1 17 HIS ND1 N 7.186 4.068 -5.458 1.00 . A A . 17 HIS ND1 1 1 9 10039 1 1 17 HIS NE2 N 5.731 5.689 -5.064 1.00 . A A . 17 HIS NE2 1 1 9 10040 1 1 17 HIS O O 2.743 3.165 -8.431 1.00 . A A . 17 HIS O 1 1 9 10041 1 1 18 LYS C C 2.582 2.138 -11.199 1.00 . A A . 18 LYS C 1 1 9 10042 1 1 18 LYS CA C 3.976 2.716 -10.954 1.00 . A A . 18 LYS CA 1 1 9 10043 1 1 18 LYS CB C 5.052 2.423 -12.007 1.00 . A A . 18 LYS CB 1 1 9 10044 1 1 18 LYS CD C 4.869 0.067 -12.805 1.00 . A A . 18 LYS CD 1 1 9 10045 1 1 18 LYS CE C 3.882 -0.811 -13.586 1.00 . A A . 18 LYS CE 1 1 9 10046 1 1 18 LYS CG C 4.594 1.536 -13.150 1.00 . A A . 18 LYS CG 1 1 9 10047 1 1 18 LYS H H 5.298 1.780 -9.592 1.00 . A A . 18 LYS H 1 1 9 10048 1 1 18 LYS HA H 3.864 3.793 -10.998 1.00 . A A . 18 LYS HA 1 1 9 10049 1 1 18 LYS HB2 H 5.409 3.370 -12.419 1.00 . A A . 18 LYS HB2 1 1 9 10050 1 1 18 LYS HB3 H 5.906 1.933 -11.558 1.00 . A A . 18 LYS HB3 1 1 9 10051 1 1 18 LYS HD2 H 5.906 -0.152 -13.070 1.00 . A A . 18 LYS HD2 1 1 9 10052 1 1 18 LYS HD3 H 4.787 -0.098 -11.727 1.00 . A A . 18 LYS HD3 1 1 9 10053 1 1 18 LYS HE2 H 2.871 -0.602 -13.236 1.00 . A A . 18 LYS HE2 1 1 9 10054 1 1 18 LYS HE3 H 3.926 -0.566 -14.649 1.00 . A A . 18 LYS HE3 1 1 9 10055 1 1 18 LYS HG2 H 3.560 1.754 -13.415 1.00 . A A . 18 LYS HG2 1 1 9 10056 1 1 18 LYS HG3 H 5.189 1.802 -14.008 1.00 . A A . 18 LYS HG3 1 1 9 10057 1 1 18 LYS HZ1 H 3.424 -2.795 -13.840 1.00 . A A . 18 LYS HZ1 1 1 9 10058 1 1 18 LYS HZ2 H 5.047 -2.505 -13.769 1.00 . A A . 18 LYS HZ2 1 1 9 10059 1 1 18 LYS HZ3 H 4.160 -2.481 -12.405 1.00 . A A . 18 LYS HZ3 1 1 9 10060 1 1 18 LYS N N 4.445 2.320 -9.643 1.00 . A A . 18 LYS N 1 1 9 10061 1 1 18 LYS NZ N 4.146 -2.249 -13.398 1.00 . A A . 18 LYS NZ 1 1 9 10062 1 1 18 LYS O O 1.694 2.875 -11.595 1.00 . A A . 18 LYS O 1 1 9 10063 1 1 19 ALA C C 0.010 1.095 -10.235 1.00 . A A . 19 ALA C 1 1 9 10064 1 1 19 ALA CA C 1.013 0.286 -11.051 1.00 . A A . 19 ALA CA 1 1 9 10065 1 1 19 ALA CB C 0.951 -1.157 -10.581 1.00 . A A . 19 ALA CB 1 1 9 10066 1 1 19 ALA H H 3.141 0.276 -10.676 1.00 . A A . 19 ALA H 1 1 9 10067 1 1 19 ALA HA H 0.723 0.285 -12.098 1.00 . A A . 19 ALA HA 1 1 9 10068 1 1 19 ALA HB1 H 1.140 -1.174 -9.510 1.00 . A A . 19 ALA HB1 1 1 9 10069 1 1 19 ALA HB2 H -0.054 -1.536 -10.760 1.00 . A A . 19 ALA HB2 1 1 9 10070 1 1 19 ALA HB3 H 1.667 -1.765 -11.131 1.00 . A A . 19 ALA HB3 1 1 9 10071 1 1 19 ALA N N 2.356 0.850 -10.934 1.00 . A A . 19 ALA N 1 1 9 10072 1 1 19 ALA O O -0.999 1.553 -10.762 1.00 . A A . 19 ALA O 1 1 9 10073 1 1 20 HIS C C -0.721 3.492 -8.612 1.00 . A A . 20 HIS C 1 1 9 10074 1 1 20 HIS CA C -0.588 2.058 -8.084 1.00 . A A . 20 HIS CA 1 1 9 10075 1 1 20 HIS CB C -0.116 1.992 -6.623 1.00 . A A . 20 HIS CB 1 1 9 10076 1 1 20 HIS CD2 C -1.402 0.412 -5.041 1.00 . A A . 20 HIS CD2 1 1 9 10077 1 1 20 HIS CE1 C -0.449 -1.484 -5.550 1.00 . A A . 20 HIS CE1 1 1 9 10078 1 1 20 HIS CG C -0.422 0.664 -5.967 1.00 . A A . 20 HIS CG 1 1 9 10079 1 1 20 HIS H H 1.182 0.965 -8.571 1.00 . A A . 20 HIS H 1 1 9 10080 1 1 20 HIS HA H -1.574 1.600 -8.128 1.00 . A A . 20 HIS HA 1 1 9 10081 1 1 20 HIS HB2 H 0.954 2.194 -6.566 1.00 . A A . 20 HIS HB2 1 1 9 10082 1 1 20 HIS HB3 H -0.635 2.762 -6.058 1.00 . A A . 20 HIS HB3 1 1 9 10083 1 1 20 HIS HD1 H 0.952 -0.656 -6.910 1.00 . A A . 20 HIS HD1 1 1 9 10084 1 1 20 HIS HD2 H -2.059 1.142 -4.603 1.00 . A A . 20 HIS HD2 1 1 9 10085 1 1 20 HIS HE1 H -0.185 -2.528 -5.579 1.00 . A A . 20 HIS HE1 1 1 9 10086 1 1 20 HIS N N 0.293 1.284 -8.943 1.00 . A A . 20 HIS N 1 1 9 10087 1 1 20 HIS ND1 N 0.172 -0.534 -6.273 1.00 . A A . 20 HIS ND1 1 1 9 10088 1 1 20 HIS NE2 N -1.422 -0.962 -4.782 1.00 . A A . 20 HIS NE2 1 1 9 10089 1 1 20 HIS O O -1.713 4.165 -8.361 1.00 . A A . 20 HIS O 1 1 9 10090 1 1 21 ALA C C -0.826 5.210 -11.203 1.00 . A A . 21 ALA C 1 1 9 10091 1 1 21 ALA CA C 0.146 5.272 -10.014 1.00 . A A . 21 ALA CA 1 1 9 10092 1 1 21 ALA CB C 1.539 5.779 -10.400 1.00 . A A . 21 ALA CB 1 1 9 10093 1 1 21 ALA H H 1.052 3.366 -9.568 1.00 . A A . 21 ALA H 1 1 9 10094 1 1 21 ALA HA H -0.252 5.987 -9.291 1.00 . A A . 21 ALA HA 1 1 9 10095 1 1 21 ALA HB1 H 2.217 5.670 -9.551 1.00 . A A . 21 ALA HB1 1 1 9 10096 1 1 21 ALA HB2 H 1.950 5.224 -11.239 1.00 . A A . 21 ALA HB2 1 1 9 10097 1 1 21 ALA HB3 H 1.459 6.828 -10.681 1.00 . A A . 21 ALA HB3 1 1 9 10098 1 1 21 ALA N N 0.255 3.970 -9.376 1.00 . A A . 21 ALA N 1 1 9 10099 1 1 21 ALA O O -1.846 5.878 -11.225 1.00 . A A . 21 ALA O 1 1 9 10100 1 1 22 GLU C C -2.652 3.827 -13.341 1.00 . A A . 22 GLU C 1 1 9 10101 1 1 22 GLU CA C -1.221 4.353 -13.487 1.00 . A A . 22 GLU CA 1 1 9 10102 1 1 22 GLU CB C -0.367 3.569 -14.504 1.00 . A A . 22 GLU CB 1 1 9 10103 1 1 22 GLU CD C 0.948 1.357 -14.784 1.00 . A A . 22 GLU CD 1 1 9 10104 1 1 22 GLU CG C -0.266 2.068 -14.186 1.00 . A A . 22 GLU CG 1 1 9 10105 1 1 22 GLU H H 0.213 3.749 -12.023 1.00 . A A . 22 GLU H 1 1 9 10106 1 1 22 GLU HA H -1.286 5.380 -13.850 1.00 . A A . 22 GLU HA 1 1 9 10107 1 1 22 GLU HB2 H -0.781 3.688 -15.505 1.00 . A A . 22 GLU HB2 1 1 9 10108 1 1 22 GLU HB3 H 0.633 4.009 -14.497 1.00 . A A . 22 GLU HB3 1 1 9 10109 1 1 22 GLU HG2 H -0.192 1.950 -13.114 1.00 . A A . 22 GLU HG2 1 1 9 10110 1 1 22 GLU HG3 H -1.168 1.564 -14.532 1.00 . A A . 22 GLU HG3 1 1 9 10111 1 1 22 GLU N N -0.539 4.385 -12.199 1.00 . A A . 22 GLU N 1 1 9 10112 1 1 22 GLU O O -3.580 4.364 -13.940 1.00 . A A . 22 GLU O 1 1 9 10113 1 1 22 GLU OE1 O 1.847 2.050 -15.305 1.00 . A A . 22 GLU OE1 1 1 9 10114 1 1 22 GLU OE2 O 0.978 0.112 -14.666 1.00 . A A . 22 GLU OE2 1 1 9 10115 1 1 23 LYS C C -5.033 3.184 -11.523 1.00 . A A . 23 LYS C 1 1 9 10116 1 1 23 LYS CA C -4.132 2.187 -12.252 1.00 . A A . 23 LYS CA 1 1 9 10117 1 1 23 LYS CB C -3.931 0.939 -11.377 1.00 . A A . 23 LYS CB 1 1 9 10118 1 1 23 LYS CD C -3.826 -1.055 -12.928 1.00 . A A . 23 LYS CD 1 1 9 10119 1 1 23 LYS CE C -4.482 -2.154 -12.074 1.00 . A A . 23 LYS CE 1 1 9 10120 1 1 23 LYS CG C -3.026 -0.121 -12.024 1.00 . A A . 23 LYS CG 1 1 9 10121 1 1 23 LYS H H -2.031 2.345 -12.096 1.00 . A A . 23 LYS H 1 1 9 10122 1 1 23 LYS HA H -4.610 1.906 -13.192 1.00 . A A . 23 LYS HA 1 1 9 10123 1 1 23 LYS HB2 H -3.468 1.244 -10.441 1.00 . A A . 23 LYS HB2 1 1 9 10124 1 1 23 LYS HB3 H -4.905 0.513 -11.135 1.00 . A A . 23 LYS HB3 1 1 9 10125 1 1 23 LYS HD2 H -4.551 -0.442 -13.463 1.00 . A A . 23 LYS HD2 1 1 9 10126 1 1 23 LYS HD3 H -3.123 -1.487 -13.641 1.00 . A A . 23 LYS HD3 1 1 9 10127 1 1 23 LYS HE2 H -3.707 -2.689 -11.518 1.00 . A A . 23 LYS HE2 1 1 9 10128 1 1 23 LYS HE3 H -5.170 -1.718 -11.349 1.00 . A A . 23 LYS HE3 1 1 9 10129 1 1 23 LYS HG2 H -2.244 0.345 -12.623 1.00 . A A . 23 LYS HG2 1 1 9 10130 1 1 23 LYS HG3 H -2.532 -0.695 -11.240 1.00 . A A . 23 LYS HG3 1 1 9 10131 1 1 23 LYS HZ1 H -6.042 -2.767 -13.295 1.00 . A A . 23 LYS HZ1 1 1 9 10132 1 1 23 LYS HZ2 H -4.628 -3.610 -13.537 1.00 . A A . 23 LYS HZ2 1 1 9 10133 1 1 23 LYS HZ3 H -5.519 -3.876 -12.190 1.00 . A A . 23 LYS HZ3 1 1 9 10134 1 1 23 LYS N N -2.836 2.777 -12.535 1.00 . A A . 23 LYS N 1 1 9 10135 1 1 23 LYS NZ N -5.222 -3.159 -12.859 1.00 . A A . 23 LYS NZ 1 1 9 10136 1 1 23 LYS O O -6.219 3.286 -11.830 1.00 . A A . 23 LYS O 1 1 9 10137 1 1 24 LEU C C -5.197 6.086 -9.801 1.00 . A A . 24 LEU C 1 1 9 10138 1 1 24 LEU CA C -5.252 4.586 -9.507 1.00 . A A . 24 LEU CA 1 1 9 10139 1 1 24 LEU CB C -4.781 4.262 -8.075 1.00 . A A . 24 LEU CB 1 1 9 10140 1 1 24 LEU CD1 C -3.720 2.573 -6.499 1.00 . A A . 24 LEU CD1 1 1 9 10141 1 1 24 LEU CD2 C -5.472 1.800 -8.094 1.00 . A A . 24 LEU CD2 1 1 9 10142 1 1 24 LEU CG C -4.338 2.799 -7.879 1.00 . A A . 24 LEU CG 1 1 9 10143 1 1 24 LEU H H -3.490 3.715 -10.350 1.00 . A A . 24 LEU H 1 1 9 10144 1 1 24 LEU HA H -6.296 4.277 -9.563 1.00 . A A . 24 LEU HA 1 1 9 10145 1 1 24 LEU HB2 H -3.951 4.917 -7.818 1.00 . A A . 24 LEU HB2 1 1 9 10146 1 1 24 LEU HB3 H -5.593 4.486 -7.383 1.00 . A A . 24 LEU HB3 1 1 9 10147 1 1 24 LEU HD11 H -2.881 3.246 -6.337 1.00 . A A . 24 LEU HD11 1 1 9 10148 1 1 24 LEU HD12 H -4.440 2.741 -5.711 1.00 . A A . 24 LEU HD12 1 1 9 10149 1 1 24 LEU HD13 H -3.379 1.542 -6.440 1.00 . A A . 24 LEU HD13 1 1 9 10150 1 1 24 LEU HD21 H -6.281 1.989 -7.395 1.00 . A A . 24 LEU HD21 1 1 9 10151 1 1 24 LEU HD22 H -5.855 1.870 -9.109 1.00 . A A . 24 LEU HD22 1 1 9 10152 1 1 24 LEU HD23 H -5.075 0.798 -7.934 1.00 . A A . 24 LEU HD23 1 1 9 10153 1 1 24 LEU HG H -3.561 2.554 -8.596 1.00 . A A . 24 LEU HG 1 1 9 10154 1 1 24 LEU N N -4.480 3.844 -10.500 1.00 . A A . 24 LEU N 1 1 9 10155 1 1 24 LEU O O -6.239 6.721 -9.930 1.00 . A A . 24 LEU O 1 1 9 10156 1 1 25 GLY C C -2.429 8.466 -9.676 1.00 . A A . 25 GLY C 1 1 9 10157 1 1 25 GLY CA C -3.758 8.031 -10.283 1.00 . A A . 25 GLY CA 1 1 9 10158 1 1 25 GLY H H -3.142 6.074 -9.931 1.00 . A A . 25 GLY H 1 1 9 10159 1 1 25 GLY HA2 H -3.694 8.107 -11.369 1.00 . A A . 25 GLY HA2 1 1 9 10160 1 1 25 GLY HA3 H -4.562 8.676 -9.926 1.00 . A A . 25 GLY HA3 1 1 9 10161 1 1 25 GLY N N -3.988 6.645 -9.927 1.00 . A A . 25 GLY N 1 1 9 10162 1 1 25 GLY O O -1.398 8.452 -10.345 1.00 . A A . 25 GLY O 1 1 9 10163 1 1 26 CYS C C -1.884 9.794 -6.246 1.00 . A A . 26 CYS C 1 1 9 10164 1 1 26 CYS CA C -1.334 9.309 -7.586 1.00 . A A . 26 CYS CA 1 1 9 10165 1 1 26 CYS CB C -0.576 10.447 -8.252 1.00 . A A . 26 CYS CB 1 1 9 10166 1 1 26 CYS H H -3.392 8.774 -7.956 1.00 . A A . 26 CYS H 1 1 9 10167 1 1 26 CYS HA H -0.675 8.462 -7.410 1.00 . A A . 26 CYS HA 1 1 9 10168 1 1 26 CYS HB2 H -0.530 10.375 -9.334 1.00 . A A . 26 CYS HB2 1 1 9 10169 1 1 26 CYS HB3 H -1.053 11.401 -8.025 1.00 . A A . 26 CYS HB3 1 1 9 10170 1 1 26 CYS N N -2.467 8.835 -8.396 1.00 . A A . 26 CYS N 1 1 9 10171 1 1 26 CYS O O -1.437 9.385 -5.172 1.00 . A A . 26 CYS O 1 1 9 10172 1 1 26 CYS SG S 1.129 10.507 -7.645 1.00 . A A . 26 CYS SG 1 1 9 10173 1 1 27 ASP C C -4.158 10.021 -4.332 1.00 . A A . 27 ASP C 1 1 9 10174 1 1 27 ASP CA C -3.910 11.066 -5.411 1.00 . A A . 27 ASP CA 1 1 9 10175 1 1 27 ASP CB C -5.215 11.346 -6.181 1.00 . A A . 27 ASP CB 1 1 9 10176 1 1 27 ASP CG C -5.769 10.138 -6.950 1.00 . A A . 27 ASP CG 1 1 9 10177 1 1 27 ASP H H -3.300 10.604 -7.322 1.00 . A A . 27 ASP H 1 1 9 10178 1 1 27 ASP HA H -3.562 11.988 -4.945 1.00 . A A . 27 ASP HA 1 1 9 10179 1 1 27 ASP HB2 H -5.969 11.674 -5.462 1.00 . A A . 27 ASP HB2 1 1 9 10180 1 1 27 ASP HB3 H -5.050 12.156 -6.890 1.00 . A A . 27 ASP HB3 1 1 9 10181 1 1 27 ASP N N -2.927 10.616 -6.383 1.00 . A A . 27 ASP N 1 1 9 10182 1 1 27 ASP O O -4.201 10.337 -3.146 1.00 . A A . 27 ASP O 1 1 9 10183 1 1 27 ASP OD1 O -4.942 9.282 -7.362 1.00 . A A . 27 ASP OD1 1 1 9 10184 1 1 27 ASP OD2 O -7.004 10.089 -7.108 1.00 . A A . 27 ASP OD2 1 1 9 10185 1 1 28 ALA C C -3.593 7.611 -2.712 1.00 . A A . 28 ALA C 1 1 9 10186 1 1 28 ALA CA C -4.440 7.571 -3.985 1.00 . A A . 28 ALA CA 1 1 9 10187 1 1 28 ALA CB C -4.048 6.380 -4.862 1.00 . A A . 28 ALA CB 1 1 9 10188 1 1 28 ALA H H -4.320 8.690 -5.793 1.00 . A A . 28 ALA H 1 1 9 10189 1 1 28 ALA HA H -5.490 7.482 -3.716 1.00 . A A . 28 ALA HA 1 1 9 10190 1 1 28 ALA HB1 H -4.749 6.291 -5.691 1.00 . A A . 28 ALA HB1 1 1 9 10191 1 1 28 ALA HB2 H -3.046 6.535 -5.263 1.00 . A A . 28 ALA HB2 1 1 9 10192 1 1 28 ALA HB3 H -4.059 5.464 -4.272 1.00 . A A . 28 ALA HB3 1 1 9 10193 1 1 28 ALA N N -4.299 8.773 -4.779 1.00 . A A . 28 ALA N 1 1 9 10194 1 1 28 ALA O O -4.054 7.181 -1.655 1.00 . A A . 28 ALA O 1 1 9 10195 1 1 29 CYS C C -0.724 9.510 -1.580 1.00 . A A . 29 CYS C 1 1 9 10196 1 1 29 CYS CA C -1.389 8.135 -1.737 1.00 . A A . 29 CYS CA 1 1 9 10197 1 1 29 CYS CB C -0.356 7.064 -1.956 1.00 . A A . 29 CYS CB 1 1 9 10198 1 1 29 CYS H H -2.071 8.431 -3.745 1.00 . A A . 29 CYS H 1 1 9 10199 1 1 29 CYS HA H -1.891 7.920 -0.794 1.00 . A A . 29 CYS HA 1 1 9 10200 1 1 29 CYS HB2 H 0.275 7.363 -2.792 1.00 . A A . 29 CYS HB2 1 1 9 10201 1 1 29 CYS HB3 H 0.248 6.965 -1.060 1.00 . A A . 29 CYS HB3 1 1 9 10202 1 1 29 CYS N N -2.354 8.099 -2.829 1.00 . A A . 29 CYS N 1 1 9 10203 1 1 29 CYS O O -0.434 9.914 -0.455 1.00 . A A . 29 CYS O 1 1 9 10204 1 1 29 CYS SG S -1.126 5.447 -2.283 1.00 . A A . 29 CYS SG 1 1 9 10205 1 1 30 HIS C C -0.613 12.564 -3.298 1.00 . A A . 30 HIS C 1 1 9 10206 1 1 30 HIS CA C 0.270 11.497 -2.660 1.00 . A A . 30 HIS CA 1 1 9 10207 1 1 30 HIS CB C 1.566 11.398 -3.461 1.00 . A A . 30 HIS CB 1 1 9 10208 1 1 30 HIS CD2 C 2.786 9.226 -3.753 1.00 . A A . 30 HIS CD2 1 1 9 10209 1 1 30 HIS CE1 C 4.373 9.403 -2.274 1.00 . A A . 30 HIS CE1 1 1 9 10210 1 1 30 HIS CG C 2.520 10.328 -3.005 1.00 . A A . 30 HIS CG 1 1 9 10211 1 1 30 HIS H H -0.779 9.906 -3.581 1.00 . A A . 30 HIS H 1 1 9 10212 1 1 30 HIS HA H 0.561 11.800 -1.654 1.00 . A A . 30 HIS HA 1 1 9 10213 1 1 30 HIS HB2 H 1.298 11.195 -4.501 1.00 . A A . 30 HIS HB2 1 1 9 10214 1 1 30 HIS HB3 H 2.055 12.369 -3.453 1.00 . A A . 30 HIS HB3 1 1 9 10215 1 1 30 HIS HD1 H 3.669 11.175 -1.385 1.00 . A A . 30 HIS HD1 1 1 9 10216 1 1 30 HIS HD2 H 2.256 8.917 -4.629 1.00 . A A . 30 HIS HD2 1 1 9 10217 1 1 30 HIS HE1 H 5.308 9.227 -1.769 1.00 . A A . 30 HIS HE1 1 1 9 10218 1 1 30 HIS N N -0.441 10.223 -2.677 1.00 . A A . 30 HIS N 1 1 9 10219 1 1 30 HIS ND1 N 3.517 10.424 -2.054 1.00 . A A . 30 HIS ND1 1 1 9 10220 1 1 30 HIS NE2 N 3.970 8.659 -3.310 1.00 . A A . 30 HIS NE2 1 1 9 10221 1 1 30 HIS O O -0.912 12.474 -4.487 1.00 . A A . 30 HIS O 1 1 9 10222 1 1 31 GLU C C -0.995 15.652 -3.848 1.00 . A A . 31 GLU C 1 1 9 10223 1 1 31 GLU CA C -1.834 14.664 -3.047 1.00 . A A . 31 GLU CA 1 1 9 10224 1 1 31 GLU CB C -2.551 15.389 -1.898 1.00 . A A . 31 GLU CB 1 1 9 10225 1 1 31 GLU CD C -4.259 15.079 -0.097 1.00 . A A . 31 GLU CD 1 1 9 10226 1 1 31 GLU CG C -3.214 14.389 -0.963 1.00 . A A . 31 GLU CG 1 1 9 10227 1 1 31 GLU H H -0.684 13.598 -1.571 1.00 . A A . 31 GLU H 1 1 9 10228 1 1 31 GLU HA H -2.595 14.239 -3.706 1.00 . A A . 31 GLU HA 1 1 9 10229 1 1 31 GLU HB2 H -1.900 16.015 -1.289 1.00 . A A . 31 GLU HB2 1 1 9 10230 1 1 31 GLU HB3 H -3.324 16.027 -2.333 1.00 . A A . 31 GLU HB3 1 1 9 10231 1 1 31 GLU HG2 H -3.674 13.639 -1.596 1.00 . A A . 31 GLU HG2 1 1 9 10232 1 1 31 GLU HG3 H -2.481 13.907 -0.318 1.00 . A A . 31 GLU HG3 1 1 9 10233 1 1 31 GLU N N -0.986 13.590 -2.535 1.00 . A A . 31 GLU N 1 1 9 10234 1 1 31 GLU O O -1.159 15.825 -5.053 1.00 . A A . 31 GLU O 1 1 9 10235 1 1 31 GLU OE1 O -5.402 15.211 -0.581 1.00 . A A . 31 GLU OE1 1 1 9 10236 1 1 31 GLU OE2 O -3.875 15.502 1.015 1.00 . A A . 31 GLU OE2 1 1 9 10237 1 1 32 GLY C C 2.203 16.915 -3.571 1.00 . A A . 32 GLY C 1 1 9 10238 1 1 32 GLY CA C 0.753 17.380 -3.608 1.00 . A A . 32 GLY CA 1 1 9 10239 1 1 32 GLY H H -0.102 16.057 -2.139 1.00 . A A . 32 GLY H 1 1 9 10240 1 1 32 GLY HA2 H 0.499 17.652 -4.634 1.00 . A A . 32 GLY HA2 1 1 9 10241 1 1 32 GLY HA3 H 0.624 18.263 -2.982 1.00 . A A . 32 GLY HA3 1 1 9 10242 1 1 32 GLY N N -0.113 16.322 -3.113 1.00 . A A . 32 GLY N 1 1 9 10243 1 1 32 GLY O O 2.629 16.135 -4.418 1.00 . A A . 32 GLY O 1 1 9 10244 1 1 33 THR C C 4.348 15.444 -2.070 1.00 . A A . 33 THR C 1 1 9 10245 1 1 33 THR CA C 4.342 16.946 -2.394 1.00 . A A . 33 THR CA 1 1 9 10246 1 1 33 THR CB C 5.038 17.808 -1.323 1.00 . A A . 33 THR CB 1 1 9 10247 1 1 33 THR CG2 C 4.342 17.857 0.045 1.00 . A A . 33 THR CG2 1 1 9 10248 1 1 33 THR H H 2.552 17.988 -1.890 1.00 . A A . 33 THR H 1 1 9 10249 1 1 33 THR HA H 4.868 17.134 -3.329 1.00 . A A . 33 THR HA 1 1 9 10250 1 1 33 THR HB H 5.084 18.830 -1.705 1.00 . A A . 33 THR HB 1 1 9 10251 1 1 33 THR HG1 H 6.371 16.665 -0.485 1.00 . A A . 33 THR HG1 1 1 9 10252 1 1 33 THR HG21 H 3.330 18.250 -0.042 1.00 . A A . 33 THR HG21 1 1 9 10253 1 1 33 THR HG22 H 4.299 16.869 0.503 1.00 . A A . 33 THR HG22 1 1 9 10254 1 1 33 THR HG23 H 4.905 18.516 0.706 1.00 . A A . 33 THR HG23 1 1 9 10255 1 1 33 THR N N 2.965 17.382 -2.580 1.00 . A A . 33 THR N 1 1 9 10256 1 1 33 THR O O 3.720 15.046 -1.090 1.00 . A A . 33 THR O 1 1 9 10257 1 1 33 THR OG1 O 6.366 17.369 -1.140 1.00 . A A . 33 THR OG1 1 1 9 10258 1 1 34 PRO C C 5.857 12.777 -1.437 1.00 . A A . 34 PRO C 1 1 9 10259 1 1 34 PRO CA C 4.970 13.158 -2.625 1.00 . A A . 34 PRO CA 1 1 9 10260 1 1 34 PRO CB C 5.382 12.484 -3.928 1.00 . A A . 34 PRO CB 1 1 9 10261 1 1 34 PRO CD C 5.690 14.875 -4.117 1.00 . A A . 34 PRO CD 1 1 9 10262 1 1 34 PRO CG C 6.254 13.536 -4.600 1.00 . A A . 34 PRO CG 1 1 9 10263 1 1 34 PRO HA H 3.948 12.874 -2.421 1.00 . A A . 34 PRO HA 1 1 9 10264 1 1 34 PRO HB2 H 5.905 11.543 -3.760 1.00 . A A . 34 PRO HB2 1 1 9 10265 1 1 34 PRO HB3 H 4.496 12.309 -4.541 1.00 . A A . 34 PRO HB3 1 1 9 10266 1 1 34 PRO HD2 H 6.496 15.599 -3.983 1.00 . A A . 34 PRO HD2 1 1 9 10267 1 1 34 PRO HD3 H 4.974 15.245 -4.851 1.00 . A A . 34 PRO HD3 1 1 9 10268 1 1 34 PRO HG2 H 7.272 13.411 -4.240 1.00 . A A . 34 PRO HG2 1 1 9 10269 1 1 34 PRO HG3 H 6.207 13.437 -5.682 1.00 . A A . 34 PRO HG3 1 1 9 10270 1 1 34 PRO N N 5.007 14.586 -2.868 1.00 . A A . 34 PRO N 1 1 9 10271 1 1 34 PRO O O 5.401 12.033 -0.573 1.00 . A A . 34 PRO O 1 1 9 10272 1 1 35 ALA C C 8.195 12.053 0.514 1.00 . A A . 35 ALA C 1 1 9 10273 1 1 35 ALA CA C 8.119 13.298 -0.382 1.00 . A A . 35 ALA CA 1 1 9 10274 1 1 35 ALA CB C 7.970 14.581 0.444 1.00 . A A . 35 ALA CB 1 1 9 10275 1 1 35 ALA H H 7.318 13.868 -2.234 1.00 . A A . 35 ALA H 1 1 9 10276 1 1 35 ALA HA H 9.084 13.360 -0.885 1.00 . A A . 35 ALA HA 1 1 9 10277 1 1 35 ALA HB1 H 8.032 15.446 -0.214 1.00 . A A . 35 ALA HB1 1 1 9 10278 1 1 35 ALA HB2 H 7.010 14.580 0.962 1.00 . A A . 35 ALA HB2 1 1 9 10279 1 1 35 ALA HB3 H 8.773 14.653 1.178 1.00 . A A . 35 ALA HB3 1 1 9 10280 1 1 35 ALA N N 7.098 13.291 -1.437 1.00 . A A . 35 ALA N 1 1 9 10281 1 1 35 ALA O O 8.549 12.166 1.685 1.00 . A A . 35 ALA O 1 1 9 10282 1 1 36 LYS C C 6.635 9.660 1.730 1.00 . A A . 36 LYS C 1 1 9 10283 1 1 36 LYS CA C 7.656 9.611 0.589 1.00 . A A . 36 LYS CA 1 1 9 10284 1 1 36 LYS CB C 8.918 8.828 0.960 1.00 . A A . 36 LYS CB 1 1 9 10285 1 1 36 LYS CD C 11.022 8.534 2.233 1.00 . A A . 36 LYS CD 1 1 9 10286 1 1 36 LYS CE C 10.524 7.703 3.422 1.00 . A A . 36 LYS CE 1 1 9 10287 1 1 36 LYS CG C 9.962 9.556 1.807 1.00 . A A . 36 LYS CG 1 1 9 10288 1 1 36 LYS H H 7.731 10.909 -1.046 1.00 . A A . 36 LYS H 1 1 9 10289 1 1 36 LYS HA H 7.166 9.025 -0.184 1.00 . A A . 36 LYS HA 1 1 9 10290 1 1 36 LYS HB2 H 8.586 7.939 1.484 1.00 . A A . 36 LYS HB2 1 1 9 10291 1 1 36 LYS HB3 H 9.423 8.501 0.058 1.00 . A A . 36 LYS HB3 1 1 9 10292 1 1 36 LYS HD2 H 11.257 7.896 1.378 1.00 . A A . 36 LYS HD2 1 1 9 10293 1 1 36 LYS HD3 H 11.934 9.068 2.511 1.00 . A A . 36 LYS HD3 1 1 9 10294 1 1 36 LYS HE2 H 10.581 8.334 4.306 1.00 . A A . 36 LYS HE2 1 1 9 10295 1 1 36 LYS HE3 H 9.481 7.416 3.305 1.00 . A A . 36 LYS HE3 1 1 9 10296 1 1 36 LYS HG2 H 10.440 10.317 1.185 1.00 . A A . 36 LYS HG2 1 1 9 10297 1 1 36 LYS HG3 H 9.507 10.034 2.676 1.00 . A A . 36 LYS HG3 1 1 9 10298 1 1 36 LYS HZ1 H 12.272 6.570 3.501 1.00 . A A . 36 LYS HZ1 1 1 9 10299 1 1 36 LYS HZ2 H 11.029 5.969 4.424 1.00 . A A . 36 LYS HZ2 1 1 9 10300 1 1 36 LYS HZ3 H 10.961 5.818 2.816 1.00 . A A . 36 LYS HZ3 1 1 9 10301 1 1 36 LYS N N 7.933 10.879 -0.066 1.00 . A A . 36 LYS N 1 1 9 10302 1 1 36 LYS NZ N 11.276 6.440 3.567 1.00 . A A . 36 LYS NZ 1 1 9 10303 1 1 36 LYS O O 6.404 10.676 2.377 1.00 . A A . 36 LYS O 1 1 9 10304 1 1 37 ILE C C 5.457 7.330 4.053 1.00 . A A . 37 ILE C 1 1 9 10305 1 1 37 ILE CA C 4.989 8.330 2.995 1.00 . A A . 37 ILE CA 1 1 9 10306 1 1 37 ILE CB C 3.648 7.893 2.371 1.00 . A A . 37 ILE CB 1 1 9 10307 1 1 37 ILE CD1 C 2.306 7.730 0.205 1.00 . A A . 37 ILE CD1 1 1 9 10308 1 1 37 ILE CG1 C 3.616 8.154 0.859 1.00 . A A . 37 ILE CG1 1 1 9 10309 1 1 37 ILE CG2 C 2.486 8.591 3.094 1.00 . A A . 37 ILE CG2 1 1 9 10310 1 1 37 ILE H H 6.206 7.725 1.343 1.00 . A A . 37 ILE H 1 1 9 10311 1 1 37 ILE HA H 4.824 9.277 3.512 1.00 . A A . 37 ILE HA 1 1 9 10312 1 1 37 ILE HB H 3.526 6.824 2.514 1.00 . A A . 37 ILE HB 1 1 9 10313 1 1 37 ILE HD11 H 2.082 6.695 0.463 1.00 . A A . 37 ILE HD11 1 1 9 10314 1 1 37 ILE HD12 H 1.493 8.377 0.532 1.00 . A A . 37 ILE HD12 1 1 9 10315 1 1 37 ILE HD13 H 2.408 7.820 -0.876 1.00 . A A . 37 ILE HD13 1 1 9 10316 1 1 37 ILE HG12 H 3.784 9.211 0.663 1.00 . A A . 37 ILE HG12 1 1 9 10317 1 1 37 ILE HG13 H 4.408 7.569 0.392 1.00 . A A . 37 ILE HG13 1 1 9 10318 1 1 37 ILE HG21 H 1.534 8.161 2.788 1.00 . A A . 37 ILE HG21 1 1 9 10319 1 1 37 ILE HG22 H 2.586 8.457 4.171 1.00 . A A . 37 ILE HG22 1 1 9 10320 1 1 37 ILE HG23 H 2.491 9.658 2.865 1.00 . A A . 37 ILE HG23 1 1 9 10321 1 1 37 ILE N N 6.012 8.504 1.965 1.00 . A A . 37 ILE N 1 1 9 10322 1 1 37 ILE O O 4.830 7.198 5.098 1.00 . A A . 37 ILE O 1 1 9 10323 1 1 38 ALA C C 6.371 4.315 4.733 1.00 . A A . 38 ALA C 1 1 9 10324 1 1 38 ALA CA C 7.188 5.601 4.603 1.00 . A A . 38 ALA CA 1 1 9 10325 1 1 38 ALA CB C 7.577 6.184 5.964 1.00 . A A . 38 ALA CB 1 1 9 10326 1 1 38 ALA H H 6.970 6.761 2.870 1.00 . A A . 38 ALA H 1 1 9 10327 1 1 38 ALA HA H 8.116 5.331 4.100 1.00 . A A . 38 ALA HA 1 1 9 10328 1 1 38 ALA HB1 H 8.211 5.470 6.491 1.00 . A A . 38 ALA HB1 1 1 9 10329 1 1 38 ALA HB2 H 8.131 7.111 5.813 1.00 . A A . 38 ALA HB2 1 1 9 10330 1 1 38 ALA HB3 H 6.696 6.384 6.572 1.00 . A A . 38 ALA HB3 1 1 9 10331 1 1 38 ALA N N 6.541 6.601 3.762 1.00 . A A . 38 ALA N 1 1 9 10332 1 1 38 ALA O O 6.909 3.241 4.495 1.00 . A A . 38 ALA O 1 1 9 10333 1 1 39 ILE C C 4.721 2.297 6.327 1.00 . A A . 39 ILE C 1 1 9 10334 1 1 39 ILE CA C 4.158 3.358 5.376 1.00 . A A . 39 ILE CA 1 1 9 10335 1 1 39 ILE CB C 3.601 2.781 4.073 1.00 . A A . 39 ILE CB 1 1 9 10336 1 1 39 ILE CD1 C 1.404 4.171 3.941 1.00 . A A . 39 ILE CD1 1 1 9 10337 1 1 39 ILE CG1 C 2.775 3.849 3.343 1.00 . A A . 39 ILE CG1 1 1 9 10338 1 1 39 ILE CG2 C 2.773 1.514 4.312 1.00 . A A . 39 ILE CG2 1 1 9 10339 1 1 39 ILE H H 4.712 5.374 5.123 1.00 . A A . 39 ILE H 1 1 9 10340 1 1 39 ILE HA H 3.323 3.825 5.892 1.00 . A A . 39 ILE HA 1 1 9 10341 1 1 39 ILE HB H 4.443 2.519 3.436 1.00 . A A . 39 ILE HB 1 1 9 10342 1 1 39 ILE HD11 H 1.505 4.627 4.924 1.00 . A A . 39 ILE HD11 1 1 9 10343 1 1 39 ILE HD12 H 0.893 4.878 3.287 1.00 . A A . 39 ILE HD12 1 1 9 10344 1 1 39 ILE HD13 H 0.800 3.269 4.013 1.00 . A A . 39 ILE HD13 1 1 9 10345 1 1 39 ILE HG12 H 3.344 4.771 3.284 1.00 . A A . 39 ILE HG12 1 1 9 10346 1 1 39 ILE HG13 H 2.621 3.489 2.339 1.00 . A A . 39 ILE HG13 1 1 9 10347 1 1 39 ILE HG21 H 2.026 1.704 5.080 1.00 . A A . 39 ILE HG21 1 1 9 10348 1 1 39 ILE HG22 H 2.282 1.206 3.394 1.00 . A A . 39 ILE HG22 1 1 9 10349 1 1 39 ILE HG23 H 3.417 0.697 4.630 1.00 . A A . 39 ILE HG23 1 1 9 10350 1 1 39 ILE N N 5.092 4.437 5.098 1.00 . A A . 39 ILE N 1 1 9 10351 1 1 39 ILE O O 5.434 1.380 5.932 1.00 . A A . 39 ILE O 1 1 9 10352 1 1 40 ASP C C 3.163 0.718 8.892 1.00 . A A . 40 ASP C 1 1 9 10353 1 1 40 ASP CA C 4.493 1.384 8.606 1.00 . A A . 40 ASP CA 1 1 9 10354 1 1 40 ASP CB C 5.026 1.977 9.915 1.00 . A A . 40 ASP CB 1 1 9 10355 1 1 40 ASP CG C 4.008 2.813 10.689 1.00 . A A . 40 ASP CG 1 1 9 10356 1 1 40 ASP H H 3.571 3.077 7.761 1.00 . A A . 40 ASP H 1 1 9 10357 1 1 40 ASP HA H 5.205 0.634 8.260 1.00 . A A . 40 ASP HA 1 1 9 10358 1 1 40 ASP HB2 H 5.337 1.155 10.560 1.00 . A A . 40 ASP HB2 1 1 9 10359 1 1 40 ASP HB3 H 5.915 2.545 9.698 1.00 . A A . 40 ASP HB3 1 1 9 10360 1 1 40 ASP N N 4.299 2.401 7.585 1.00 . A A . 40 ASP N 1 1 9 10361 1 1 40 ASP O O 2.130 1.090 8.340 1.00 . A A . 40 ASP O 1 1 9 10362 1 1 40 ASP OD1 O 3.026 3.290 10.070 1.00 . A A . 40 ASP OD1 1 1 9 10363 1 1 40 ASP OD2 O 4.206 2.914 11.922 1.00 . A A . 40 ASP OD2 1 1 9 10364 1 1 41 LYS C C 0.932 -0.079 10.705 1.00 . A A . 41 LYS C 1 1 9 10365 1 1 41 LYS CA C 2.061 -0.997 10.268 1.00 . A A . 41 LYS CA 1 1 9 10366 1 1 41 LYS CB C 2.495 -2.000 11.345 1.00 . A A . 41 LYS CB 1 1 9 10367 1 1 41 LYS CD C 4.107 -2.795 13.120 1.00 . A A . 41 LYS CD 1 1 9 10368 1 1 41 LYS CE C 5.634 -2.683 13.319 1.00 . A A . 41 LYS CE 1 1 9 10369 1 1 41 LYS CG C 3.522 -1.554 12.407 1.00 . A A . 41 LYS CG 1 1 9 10370 1 1 41 LYS H H 4.135 -0.624 9.998 1.00 . A A . 41 LYS H 1 1 9 10371 1 1 41 LYS HA H 1.680 -1.581 9.429 1.00 . A A . 41 LYS HA 1 1 9 10372 1 1 41 LYS HB2 H 1.610 -2.393 11.830 1.00 . A A . 41 LYS HB2 1 1 9 10373 1 1 41 LYS HB3 H 2.953 -2.797 10.779 1.00 . A A . 41 LYS HB3 1 1 9 10374 1 1 41 LYS HD2 H 3.599 -2.933 14.077 1.00 . A A . 41 LYS HD2 1 1 9 10375 1 1 41 LYS HD3 H 3.896 -3.676 12.519 1.00 . A A . 41 LYS HD3 1 1 9 10376 1 1 41 LYS HE2 H 6.099 -2.220 12.444 1.00 . A A . 41 LYS HE2 1 1 9 10377 1 1 41 LYS HE3 H 5.818 -2.051 14.190 1.00 . A A . 41 LYS HE3 1 1 9 10378 1 1 41 LYS HG2 H 4.337 -1.019 11.925 1.00 . A A . 41 LYS HG2 1 1 9 10379 1 1 41 LYS HG3 H 3.051 -0.884 13.127 1.00 . A A . 41 LYS HG3 1 1 9 10380 1 1 41 LYS HZ1 H 6.437 -4.510 12.637 1.00 . A A . 41 LYS HZ1 1 1 9 10381 1 1 41 LYS HZ2 H 7.251 -3.858 13.842 1.00 . A A . 41 LYS HZ2 1 1 9 10382 1 1 41 LYS HZ3 H 5.815 -4.587 14.157 1.00 . A A . 41 LYS HZ3 1 1 9 10383 1 1 41 LYS N N 3.206 -0.247 9.801 1.00 . A A . 41 LYS N 1 1 9 10384 1 1 41 LYS NZ N 6.307 -3.990 13.511 1.00 . A A . 41 LYS NZ 1 1 9 10385 1 1 41 LYS O O -0.203 -0.265 10.269 1.00 . A A . 41 LYS O 1 1 9 10386 1 1 42 LYS C C -0.459 2.459 10.751 1.00 . A A . 42 LYS C 1 1 9 10387 1 1 42 LYS CA C 0.286 1.923 11.969 1.00 . A A . 42 LYS CA 1 1 9 10388 1 1 42 LYS CB C 0.924 3.114 12.700 1.00 . A A . 42 LYS CB 1 1 9 10389 1 1 42 LYS CD C 2.472 4.054 14.389 1.00 . A A . 42 LYS CD 1 1 9 10390 1 1 42 LYS CE C 3.734 3.807 15.221 1.00 . A A . 42 LYS CE 1 1 9 10391 1 1 42 LYS CG C 1.793 2.758 13.909 1.00 . A A . 42 LYS CG 1 1 9 10392 1 1 42 LYS H H 2.237 1.008 11.752 1.00 . A A . 42 LYS H 1 1 9 10393 1 1 42 LYS HA H -0.430 1.448 12.639 1.00 . A A . 42 LYS HA 1 1 9 10394 1 1 42 LYS HB2 H 1.530 3.670 11.988 1.00 . A A . 42 LYS HB2 1 1 9 10395 1 1 42 LYS HB3 H 0.125 3.776 13.035 1.00 . A A . 42 LYS HB3 1 1 9 10396 1 1 42 LYS HD2 H 2.769 4.651 13.522 1.00 . A A . 42 LYS HD2 1 1 9 10397 1 1 42 LYS HD3 H 1.754 4.645 14.964 1.00 . A A . 42 LYS HD3 1 1 9 10398 1 1 42 LYS HE2 H 4.149 4.782 15.488 1.00 . A A . 42 LYS HE2 1 1 9 10399 1 1 42 LYS HE3 H 3.483 3.275 16.141 1.00 . A A . 42 LYS HE3 1 1 9 10400 1 1 42 LYS HG2 H 1.177 2.329 14.701 1.00 . A A . 42 LYS HG2 1 1 9 10401 1 1 42 LYS HG3 H 2.525 2.022 13.588 1.00 . A A . 42 LYS HG3 1 1 9 10402 1 1 42 LYS HZ1 H 4.544 2.069 14.476 1.00 . A A . 42 LYS HZ1 1 1 9 10403 1 1 42 LYS HZ2 H 4.691 3.308 13.456 1.00 . A A . 42 LYS HZ2 1 1 9 10404 1 1 42 LYS HZ3 H 5.678 3.222 14.792 1.00 . A A . 42 LYS HZ3 1 1 9 10405 1 1 42 LYS N N 1.255 0.914 11.539 1.00 . A A . 42 LYS N 1 1 9 10406 1 1 42 LYS NZ N 4.745 3.057 14.447 1.00 . A A . 42 LYS NZ 1 1 9 10407 1 1 42 LYS O O -1.681 2.422 10.717 1.00 . A A . 42 LYS O 1 1 9 10408 1 1 43 SER C C -1.094 2.496 7.772 1.00 . A A . 43 SER C 1 1 9 10409 1 1 43 SER CA C -0.332 3.560 8.579 1.00 . A A . 43 SER CA 1 1 9 10410 1 1 43 SER CB C 0.768 4.245 7.756 1.00 . A A . 43 SER CB 1 1 9 10411 1 1 43 SER H H 1.293 2.953 9.841 1.00 . A A . 43 SER H 1 1 9 10412 1 1 43 SER HA H -1.037 4.327 8.905 1.00 . A A . 43 SER HA 1 1 9 10413 1 1 43 SER HB2 H 1.376 3.509 7.233 1.00 . A A . 43 SER HB2 1 1 9 10414 1 1 43 SER HB3 H 0.300 4.900 7.019 1.00 . A A . 43 SER HB3 1 1 9 10415 1 1 43 SER HG H 2.152 4.420 9.156 1.00 . A A . 43 SER HG 1 1 9 10416 1 1 43 SER N N 0.273 2.961 9.757 1.00 . A A . 43 SER N 1 1 9 10417 1 1 43 SER O O -2.323 2.526 7.656 1.00 . A A . 43 SER O 1 1 9 10418 1 1 43 SER OG O 1.625 5.010 8.586 1.00 . A A . 43 SER OG 1 1 9 10419 1 1 44 ALA C C -1.992 -0.230 6.821 1.00 . A A . 44 ALA C 1 1 9 10420 1 1 44 ALA CA C -0.695 0.431 6.384 1.00 . A A . 44 ALA CA 1 1 9 10421 1 1 44 ALA CB C 0.438 -0.596 6.407 1.00 . A A . 44 ALA CB 1 1 9 10422 1 1 44 ALA H H 0.658 1.595 7.469 1.00 . A A . 44 ALA H 1 1 9 10423 1 1 44 ALA HA H -0.795 0.773 5.357 1.00 . A A . 44 ALA HA 1 1 9 10424 1 1 44 ALA HB1 H 0.210 -1.381 5.690 1.00 . A A . 44 ALA HB1 1 1 9 10425 1 1 44 ALA HB2 H 1.381 -0.118 6.149 1.00 . A A . 44 ALA HB2 1 1 9 10426 1 1 44 ALA HB3 H 0.543 -1.033 7.399 1.00 . A A . 44 ALA HB3 1 1 9 10427 1 1 44 ALA N N -0.323 1.549 7.231 1.00 . A A . 44 ALA N 1 1 9 10428 1 1 44 ALA O O -2.940 -0.322 6.037 1.00 . A A . 44 ALA O 1 1 9 10429 1 1 45 HIS C C -4.296 -0.639 8.958 1.00 . A A . 45 HIS C 1 1 9 10430 1 1 45 HIS CA C -3.105 -1.516 8.574 1.00 . A A . 45 HIS CA 1 1 9 10431 1 1 45 HIS CB C -2.671 -2.359 9.778 1.00 . A A . 45 HIS CB 1 1 9 10432 1 1 45 HIS CD2 C -1.262 -4.060 8.364 1.00 . A A . 45 HIS CD2 1 1 9 10433 1 1 45 HIS CE1 C -1.003 -5.583 9.921 1.00 . A A . 45 HIS CE1 1 1 9 10434 1 1 45 HIS CG C -1.893 -3.628 9.511 1.00 . A A . 45 HIS CG 1 1 9 10435 1 1 45 HIS H H -1.211 -0.557 8.680 1.00 . A A . 45 HIS H 1 1 9 10436 1 1 45 HIS HA H -3.428 -2.194 7.794 1.00 . A A . 45 HIS HA 1 1 9 10437 1 1 45 HIS HB2 H -2.125 -1.741 10.488 1.00 . A A . 45 HIS HB2 1 1 9 10438 1 1 45 HIS HB3 H -3.581 -2.683 10.286 1.00 . A A . 45 HIS HB3 1 1 9 10439 1 1 45 HIS HD1 H -1.991 -4.524 11.443 1.00 . A A . 45 HIS HD1 1 1 9 10440 1 1 45 HIS HD2 H -1.169 -3.526 7.429 1.00 . A A . 45 HIS HD2 1 1 9 10441 1 1 45 HIS HE1 H -0.673 -6.457 10.454 1.00 . A A . 45 HIS HE1 1 1 9 10442 1 1 45 HIS N N -2.000 -0.731 8.060 1.00 . A A . 45 HIS N 1 1 9 10443 1 1 45 HIS ND1 N -1.708 -4.590 10.474 1.00 . A A . 45 HIS ND1 1 1 9 10444 1 1 45 HIS NE2 N -0.731 -5.333 8.630 1.00 . A A . 45 HIS NE2 1 1 9 10445 1 1 45 HIS O O -5.404 -1.161 9.066 1.00 . A A . 45 HIS O 1 1 9 10446 1 1 46 LYS C C -5.880 2.075 8.450 1.00 . A A . 46 LYS C 1 1 9 10447 1 1 46 LYS CA C -5.144 1.536 9.666 1.00 . A A . 46 LYS CA 1 1 9 10448 1 1 46 LYS CB C -4.562 2.626 10.571 1.00 . A A . 46 LYS CB 1 1 9 10449 1 1 46 LYS CD C -5.294 4.991 10.643 1.00 . A A . 46 LYS CD 1 1 9 10450 1 1 46 LYS CE C -6.203 6.088 11.209 1.00 . A A . 46 LYS CE 1 1 9 10451 1 1 46 LYS CG C -5.609 3.583 11.155 1.00 . A A . 46 LYS CG 1 1 9 10452 1 1 46 LYS H H -3.183 1.078 8.983 1.00 . A A . 46 LYS H 1 1 9 10453 1 1 46 LYS HA H -5.858 0.993 10.279 1.00 . A A . 46 LYS HA 1 1 9 10454 1 1 46 LYS HB2 H -4.060 2.132 11.404 1.00 . A A . 46 LYS HB2 1 1 9 10455 1 1 46 LYS HB3 H -3.825 3.187 9.997 1.00 . A A . 46 LYS HB3 1 1 9 10456 1 1 46 LYS HD2 H -4.261 5.232 10.904 1.00 . A A . 46 LYS HD2 1 1 9 10457 1 1 46 LYS HD3 H -5.369 4.963 9.557 1.00 . A A . 46 LYS HD3 1 1 9 10458 1 1 46 LYS HE2 H -6.073 6.151 12.292 1.00 . A A . 46 LYS HE2 1 1 9 10459 1 1 46 LYS HE3 H -5.897 7.040 10.770 1.00 . A A . 46 LYS HE3 1 1 9 10460 1 1 46 LYS HG2 H -6.611 3.270 10.855 1.00 . A A . 46 LYS HG2 1 1 9 10461 1 1 46 LYS HG3 H -5.537 3.563 12.245 1.00 . A A . 46 LYS HG3 1 1 9 10462 1 1 46 LYS HZ1 H -7.744 5.675 9.893 1.00 . A A . 46 LYS HZ1 1 1 9 10463 1 1 46 LYS HZ2 H -7.973 5.028 11.347 1.00 . A A . 46 LYS HZ2 1 1 9 10464 1 1 46 LYS HZ3 H -8.198 6.648 11.138 1.00 . A A . 46 LYS HZ3 1 1 9 10465 1 1 46 LYS N N -4.082 0.659 9.203 1.00 . A A . 46 LYS N 1 1 9 10466 1 1 46 LYS NZ N -7.625 5.856 10.891 1.00 . A A . 46 LYS NZ 1 1 9 10467 1 1 46 LYS O O -7.009 1.664 8.195 1.00 . A A . 46 LYS O 1 1 9 10468 1 1 47 ASP C C -4.738 4.015 5.577 1.00 . A A . 47 ASP C 1 1 9 10469 1 1 47 ASP CA C -5.836 3.615 6.548 1.00 . A A . 47 ASP CA 1 1 9 10470 1 1 47 ASP CB C -6.727 4.808 6.924 1.00 . A A . 47 ASP CB 1 1 9 10471 1 1 47 ASP CG C -8.074 4.396 7.502 1.00 . A A . 47 ASP CG 1 1 9 10472 1 1 47 ASP H H -4.243 3.125 7.847 1.00 . A A . 47 ASP H 1 1 9 10473 1 1 47 ASP HA H -6.448 2.882 6.037 1.00 . A A . 47 ASP HA 1 1 9 10474 1 1 47 ASP HB2 H -6.202 5.488 7.589 1.00 . A A . 47 ASP HB2 1 1 9 10475 1 1 47 ASP HB3 H -6.939 5.356 6.010 1.00 . A A . 47 ASP HB3 1 1 9 10476 1 1 47 ASP N N -5.236 2.972 7.700 1.00 . A A . 47 ASP N 1 1 9 10477 1 1 47 ASP O O -4.452 5.193 5.378 1.00 . A A . 47 ASP O 1 1 9 10478 1 1 47 ASP OD1 O -8.884 3.816 6.745 1.00 . A A . 47 ASP OD1 1 1 9 10479 1 1 47 ASP OD2 O -8.273 4.701 8.701 1.00 . A A . 47 ASP OD2 1 1 9 10480 1 1 48 ALA C C -3.734 1.987 2.819 1.00 . A A . 48 ALA C 1 1 9 10481 1 1 48 ALA CA C -3.425 3.188 3.705 1.00 . A A . 48 ALA CA 1 1 9 10482 1 1 48 ALA CB C -1.935 3.411 3.980 1.00 . A A . 48 ALA CB 1 1 9 10483 1 1 48 ALA H H -4.389 2.065 5.226 1.00 . A A . 48 ALA H 1 1 9 10484 1 1 48 ALA HA H -3.806 4.071 3.195 1.00 . A A . 48 ALA HA 1 1 9 10485 1 1 48 ALA HB1 H -1.797 4.393 4.433 1.00 . A A . 48 ALA HB1 1 1 9 10486 1 1 48 ALA HB2 H -1.544 2.666 4.668 1.00 . A A . 48 ALA HB2 1 1 9 10487 1 1 48 ALA HB3 H -1.384 3.375 3.040 1.00 . A A . 48 ALA HB3 1 1 9 10488 1 1 48 ALA N N -4.150 3.005 4.944 1.00 . A A . 48 ALA N 1 1 9 10489 1 1 48 ALA O O -4.691 2.013 2.047 1.00 . A A . 48 ALA O 1 1 9 10490 1 1 49 CYS C C -4.520 -0.927 2.592 1.00 . A A . 49 CYS C 1 1 9 10491 1 1 49 CYS CA C -3.185 -0.295 2.180 1.00 . A A . 49 CYS CA 1 1 9 10492 1 1 49 CYS CB C -2.031 -1.258 2.363 1.00 . A A . 49 CYS CB 1 1 9 10493 1 1 49 CYS H H -2.243 0.911 3.668 1.00 . A A . 49 CYS H 1 1 9 10494 1 1 49 CYS HA H -3.250 -0.025 1.128 1.00 . A A . 49 CYS HA 1 1 9 10495 1 1 49 CYS HB2 H -2.191 -1.805 3.281 1.00 . A A . 49 CYS HB2 1 1 9 10496 1 1 49 CYS HB3 H -2.022 -1.975 1.543 1.00 . A A . 49 CYS HB3 1 1 9 10497 1 1 49 CYS N N -2.974 0.906 2.972 1.00 . A A . 49 CYS N 1 1 9 10498 1 1 49 CYS O O -5.437 -1.125 1.788 1.00 . A A . 49 CYS O 1 1 9 10499 1 1 49 CYS SG S -0.383 -0.497 2.563 1.00 . A A . 49 CYS SG 1 1 9 10500 1 1 50 LYS C C -7.000 -1.335 4.672 1.00 . A A . 50 LYS C 1 1 9 10501 1 1 50 LYS CA C -5.681 -2.085 4.451 1.00 . A A . 50 LYS CA 1 1 9 10502 1 1 50 LYS CB C -5.101 -2.679 5.742 1.00 . A A . 50 LYS CB 1 1 9 10503 1 1 50 LYS CD C -4.505 -4.606 7.149 1.00 . A A . 50 LYS CD 1 1 9 10504 1 1 50 LYS CE C -4.573 -6.097 7.475 1.00 . A A . 50 LYS CE 1 1 9 10505 1 1 50 LYS CG C -5.481 -4.132 6.060 1.00 . A A . 50 LYS CG 1 1 9 10506 1 1 50 LYS H H -3.925 -0.898 4.527 1.00 . A A . 50 LYS H 1 1 9 10507 1 1 50 LYS HA H -5.872 -2.891 3.742 1.00 . A A . 50 LYS HA 1 1 9 10508 1 1 50 LYS HB2 H -4.017 -2.667 5.629 1.00 . A A . 50 LYS HB2 1 1 9 10509 1 1 50 LYS HB3 H -5.359 -2.034 6.581 1.00 . A A . 50 LYS HB3 1 1 9 10510 1 1 50 LYS HD2 H -3.491 -4.403 6.799 1.00 . A A . 50 LYS HD2 1 1 9 10511 1 1 50 LYS HD3 H -4.696 -4.032 8.059 1.00 . A A . 50 LYS HD3 1 1 9 10512 1 1 50 LYS HE2 H -5.504 -6.310 8.006 1.00 . A A . 50 LYS HE2 1 1 9 10513 1 1 50 LYS HE3 H -4.563 -6.673 6.550 1.00 . A A . 50 LYS HE3 1 1 9 10514 1 1 50 LYS HG2 H -6.515 -4.184 6.406 1.00 . A A . 50 LYS HG2 1 1 9 10515 1 1 50 LYS HG3 H -5.360 -4.747 5.168 1.00 . A A . 50 LYS HG3 1 1 9 10516 1 1 50 LYS HZ1 H -3.398 -5.963 9.166 1.00 . A A . 50 LYS HZ1 1 1 9 10517 1 1 50 LYS HZ2 H -3.464 -7.477 8.530 1.00 . A A . 50 LYS HZ2 1 1 9 10518 1 1 50 LYS HZ3 H -2.523 -6.337 7.837 1.00 . A A . 50 LYS HZ3 1 1 9 10519 1 1 50 LYS N N -4.655 -1.211 3.891 1.00 . A A . 50 LYS N 1 1 9 10520 1 1 50 LYS NZ N -3.416 -6.495 8.308 1.00 . A A . 50 LYS NZ 1 1 9 10521 1 1 50 LYS O O -7.738 -1.607 5.621 1.00 . A A . 50 LYS O 1 1 9 10522 1 1 51 THR C C -8.905 0.458 2.219 1.00 . A A . 51 THR C 1 1 9 10523 1 1 51 THR CA C -8.571 0.311 3.702 1.00 . A A . 51 THR CA 1 1 9 10524 1 1 51 THR CB C -8.480 1.624 4.512 1.00 . A A . 51 THR CB 1 1 9 10525 1 1 51 THR CG2 C -7.833 2.810 3.780 1.00 . A A . 51 THR CG2 1 1 9 10526 1 1 51 THR H H -6.692 -0.344 2.966 1.00 . A A . 51 THR H 1 1 9 10527 1 1 51 THR HA H -9.350 -0.300 4.155 1.00 . A A . 51 THR HA 1 1 9 10528 1 1 51 THR HB H -7.907 1.406 5.414 1.00 . A A . 51 THR HB 1 1 9 10529 1 1 51 THR HG1 H -9.591 2.729 5.641 1.00 . A A . 51 THR HG1 1 1 9 10530 1 1 51 THR HG21 H -6.808 2.573 3.499 1.00 . A A . 51 THR HG21 1 1 9 10531 1 1 51 THR HG22 H -8.413 3.090 2.902 1.00 . A A . 51 THR HG22 1 1 9 10532 1 1 51 THR HG23 H -7.817 3.682 4.431 1.00 . A A . 51 THR HG23 1 1 9 10533 1 1 51 THR N N -7.316 -0.418 3.762 1.00 . A A . 51 THR N 1 1 9 10534 1 1 51 THR O O -9.922 -0.043 1.750 1.00 . A A . 51 THR O 1 1 9 10535 1 1 51 THR OG1 O -9.747 2.028 4.976 1.00 . A A . 51 THR OG1 1 1 9 10536 1 1 52 CYS C C -8.296 -0.052 -0.715 1.00 . A A . 52 CYS C 1 1 9 10537 1 1 52 CYS CA C -8.094 1.266 0.030 1.00 . A A . 52 CYS CA 1 1 9 10538 1 1 52 CYS CB C -6.847 1.987 -0.394 1.00 . A A . 52 CYS CB 1 1 9 10539 1 1 52 CYS H H -7.119 1.354 1.894 1.00 . A A . 52 CYS H 1 1 9 10540 1 1 52 CYS HA H -8.962 1.908 -0.139 1.00 . A A . 52 CYS HA 1 1 9 10541 1 1 52 CYS HB2 H -6.552 2.661 0.410 1.00 . A A . 52 CYS HB2 1 1 9 10542 1 1 52 CYS HB3 H -6.040 1.275 -0.552 1.00 . A A . 52 CYS HB3 1 1 9 10543 1 1 52 CYS N N -7.971 1.028 1.457 1.00 . A A . 52 CYS N 1 1 9 10544 1 1 52 CYS O O -9.105 -0.147 -1.639 1.00 . A A . 52 CYS O 1 1 9 10545 1 1 52 CYS SG S -7.111 3.098 -1.795 1.00 . A A . 52 CYS SG 1 1 9 10546 1 1 53 HIS C C -9.271 -2.902 -0.658 1.00 . A A . 53 HIS C 1 1 9 10547 1 1 53 HIS CA C -7.827 -2.430 -0.845 1.00 . A A . 53 HIS CA 1 1 9 10548 1 1 53 HIS CB C -6.841 -3.448 -0.263 1.00 . A A . 53 HIS CB 1 1 9 10549 1 1 53 HIS CD2 C -4.990 -2.464 -1.755 1.00 . A A . 53 HIS CD2 1 1 9 10550 1 1 53 HIS CE1 C -3.570 -4.111 -1.709 1.00 . A A . 53 HIS CE1 1 1 9 10551 1 1 53 HIS CG C -5.489 -3.430 -0.924 1.00 . A A . 53 HIS CG 1 1 9 10552 1 1 53 HIS H H -6.890 -0.989 0.437 1.00 . A A . 53 HIS H 1 1 9 10553 1 1 53 HIS HA H -7.663 -2.374 -1.919 1.00 . A A . 53 HIS HA 1 1 9 10554 1 1 53 HIS HB2 H -6.728 -3.295 0.810 1.00 . A A . 53 HIS HB2 1 1 9 10555 1 1 53 HIS HB3 H -7.264 -4.439 -0.432 1.00 . A A . 53 HIS HB3 1 1 9 10556 1 1 53 HIS HD1 H -4.648 -5.342 -0.413 1.00 . A A . 53 HIS HD1 1 1 9 10557 1 1 53 HIS HD2 H -5.448 -1.537 -2.032 1.00 . A A . 53 HIS HD2 1 1 9 10558 1 1 53 HIS HE1 H -2.714 -4.733 -1.897 1.00 . A A . 53 HIS HE1 1 1 9 10559 1 1 53 HIS N N -7.599 -1.108 -0.283 1.00 . A A . 53 HIS N 1 1 9 10560 1 1 53 HIS ND1 N -4.583 -4.462 -0.899 1.00 . A A . 53 HIS ND1 1 1 9 10561 1 1 53 HIS NE2 N -3.771 -2.904 -2.260 1.00 . A A . 53 HIS NE2 1 1 9 10562 1 1 53 HIS O O -9.804 -3.577 -1.534 1.00 . A A . 53 HIS O 1 1 9 10563 1 1 54 LYS C C -12.248 -2.680 -0.345 1.00 . A A . 54 LYS C 1 1 9 10564 1 1 54 LYS CA C -11.258 -3.084 0.750 1.00 . A A . 54 LYS CA 1 1 9 10565 1 1 54 LYS CB C -11.741 -2.645 2.136 1.00 . A A . 54 LYS CB 1 1 9 10566 1 1 54 LYS CD C -11.287 -2.649 4.599 1.00 . A A . 54 LYS CD 1 1 9 10567 1 1 54 LYS CE C -10.456 -3.240 5.754 1.00 . A A . 54 LYS CE 1 1 9 10568 1 1 54 LYS CG C -10.826 -3.190 3.241 1.00 . A A . 54 LYS CG 1 1 9 10569 1 1 54 LYS H H -9.543 -1.849 1.067 1.00 . A A . 54 LYS H 1 1 9 10570 1 1 54 LYS HA H -11.210 -4.174 0.762 1.00 . A A . 54 LYS HA 1 1 9 10571 1 1 54 LYS HB2 H -11.800 -1.560 2.182 1.00 . A A . 54 LYS HB2 1 1 9 10572 1 1 54 LYS HB3 H -12.746 -3.044 2.290 1.00 . A A . 54 LYS HB3 1 1 9 10573 1 1 54 LYS HD2 H -11.214 -1.561 4.566 1.00 . A A . 54 LYS HD2 1 1 9 10574 1 1 54 LYS HD3 H -12.339 -2.913 4.736 1.00 . A A . 54 LYS HD3 1 1 9 10575 1 1 54 LYS HE2 H -11.048 -4.012 6.251 1.00 . A A . 54 LYS HE2 1 1 9 10576 1 1 54 LYS HE3 H -9.551 -3.708 5.363 1.00 . A A . 54 LYS HE3 1 1 9 10577 1 1 54 LYS HG2 H -10.873 -4.281 3.233 1.00 . A A . 54 LYS HG2 1 1 9 10578 1 1 54 LYS HG3 H -9.797 -2.875 3.059 1.00 . A A . 54 LYS HG3 1 1 9 10579 1 1 54 LYS HZ1 H -9.667 -2.656 7.563 1.00 . A A . 54 LYS HZ1 1 1 9 10580 1 1 54 LYS HZ2 H -9.293 -1.658 6.334 1.00 . A A . 54 LYS HZ2 1 1 9 10581 1 1 54 LYS HZ3 H -10.814 -1.613 6.999 1.00 . A A . 54 LYS HZ3 1 1 9 10582 1 1 54 LYS N N -9.919 -2.572 0.465 1.00 . A A . 54 LYS N 1 1 9 10583 1 1 54 LYS NZ N -10.045 -2.215 6.738 1.00 . A A . 54 LYS NZ 1 1 9 10584 1 1 54 LYS O O -13.215 -3.393 -0.595 1.00 . A A . 54 LYS O 1 1 9 10585 1 1 55 SER C C -12.470 -1.930 -3.461 1.00 . A A . 55 SER C 1 1 9 10586 1 1 55 SER CA C -12.777 -1.136 -2.180 1.00 . A A . 55 SER CA 1 1 9 10587 1 1 55 SER CB C -12.512 0.358 -2.397 1.00 . A A . 55 SER CB 1 1 9 10588 1 1 55 SER H H -11.182 -1.001 -0.798 1.00 . A A . 55 SER H 1 1 9 10589 1 1 55 SER HA H -13.836 -1.264 -1.949 1.00 . A A . 55 SER HA 1 1 9 10590 1 1 55 SER HB2 H -11.502 0.501 -2.786 1.00 . A A . 55 SER HB2 1 1 9 10591 1 1 55 SER HB3 H -13.224 0.756 -3.123 1.00 . A A . 55 SER HB3 1 1 9 10592 1 1 55 SER HG H -13.457 0.819 -0.751 1.00 . A A . 55 SER HG 1 1 9 10593 1 1 55 SER N N -11.986 -1.569 -1.040 1.00 . A A . 55 SER N 1 1 9 10594 1 1 55 SER O O -12.732 -1.420 -4.547 1.00 . A A . 55 SER O 1 1 9 10595 1 1 55 SER OG O -12.625 1.055 -1.170 1.00 . A A . 55 SER OG 1 1 9 10596 1 1 56 ASN C C -11.075 -5.340 -4.130 1.00 . A A . 56 ASN C 1 1 9 10597 1 1 56 ASN CA C -11.490 -3.923 -4.543 1.00 . A A . 56 ASN CA 1 1 9 10598 1 1 56 ASN CB C -10.385 -3.225 -5.366 1.00 . A A . 56 ASN CB 1 1 9 10599 1 1 56 ASN CG C -9.318 -2.578 -4.488 1.00 . A A . 56 ASN CG 1 1 9 10600 1 1 56 ASN H H -11.568 -3.466 -2.471 1.00 . A A . 56 ASN H 1 1 9 10601 1 1 56 ASN HA H -12.363 -4.027 -5.189 1.00 . A A . 56 ASN HA 1 1 9 10602 1 1 56 ASN HB2 H -9.914 -3.955 -6.026 1.00 . A A . 56 ASN HB2 1 1 9 10603 1 1 56 ASN HB3 H -10.836 -2.457 -5.996 1.00 . A A . 56 ASN HB3 1 1 9 10604 1 1 56 ASN HD21 H -10.339 -0.838 -4.492 1.00 . A A . 56 ASN HD21 1 1 9 10605 1 1 56 ASN HD22 H -8.993 -0.893 -3.371 1.00 . A A . 56 ASN HD22 1 1 9 10606 1 1 56 ASN N N -11.877 -3.129 -3.376 1.00 . A A . 56 ASN N 1 1 9 10607 1 1 56 ASN ND2 N -9.521 -1.310 -4.136 1.00 . A A . 56 ASN ND2 1 1 9 10608 1 1 56 ASN O O -11.768 -6.302 -4.448 1.00 . A A . 56 ASN O 1 1 9 10609 1 1 56 ASN OD1 O -8.348 -3.224 -4.105 1.00 . A A . 56 ASN OD1 1 1 9 10610 1 1 57 ASN C C -9.783 -7.124 -1.663 1.00 . A A . 57 ASN C 1 1 9 10611 1 1 57 ASN CA C -9.340 -6.757 -3.080 1.00 . A A . 57 ASN CA 1 1 9 10612 1 1 57 ASN CB C -7.816 -6.623 -3.179 1.00 . A A . 57 ASN CB 1 1 9 10613 1 1 57 ASN CG C -7.088 -7.965 -3.126 1.00 . A A . 57 ASN CG 1 1 9 10614 1 1 57 ASN H H -9.475 -4.640 -3.106 1.00 . A A . 57 ASN H 1 1 9 10615 1 1 57 ASN HA H -9.660 -7.526 -3.785 1.00 . A A . 57 ASN HA 1 1 9 10616 1 1 57 ASN HB2 H -7.583 -6.140 -4.130 1.00 . A A . 57 ASN HB2 1 1 9 10617 1 1 57 ASN HB3 H -7.445 -5.987 -2.375 1.00 . A A . 57 ASN HB3 1 1 9 10618 1 1 57 ASN HD21 H -5.851 -7.361 -4.616 1.00 . A A . 57 ASN HD21 1 1 9 10619 1 1 57 ASN HD22 H -5.492 -8.957 -4.062 1.00 . A A . 57 ASN HD22 1 1 9 10620 1 1 57 ASN N N -9.938 -5.479 -3.445 1.00 . A A . 57 ASN N 1 1 9 10621 1 1 57 ASN ND2 N -6.084 -8.113 -3.988 1.00 . A A . 57 ASN ND2 1 1 9 10622 1 1 57 ASN O O -9.604 -6.330 -0.741 1.00 . A A . 57 ASN O 1 1 9 10623 1 1 57 ASN OD1 O -7.424 -8.833 -2.325 1.00 . A A . 57 ASN OD1 1 1 9 10624 1 1 58 GLY C C -10.044 -9.816 0.456 1.00 . A A . 58 GLY C 1 1 9 10625 1 1 58 GLY CA C -10.930 -8.762 -0.217 1.00 . A A . 58 GLY CA 1 1 9 10626 1 1 58 GLY H H -10.458 -8.930 -2.278 1.00 . A A . 58 GLY H 1 1 9 10627 1 1 58 GLY HA2 H -11.129 -7.933 0.462 1.00 . A A . 58 GLY HA2 1 1 9 10628 1 1 58 GLY HA3 H -11.891 -9.228 -0.437 1.00 . A A . 58 GLY HA3 1 1 9 10629 1 1 58 GLY N N -10.373 -8.310 -1.485 1.00 . A A . 58 GLY N 1 1 9 10630 1 1 58 GLY O O -10.348 -11.002 0.351 1.00 . A A . 58 GLY O 1 1 9 10631 1 1 59 PRO C C -9.069 -10.848 3.154 1.00 . A A . 59 PRO C 1 1 9 10632 1 1 59 PRO CA C -8.207 -10.361 1.982 1.00 . A A . 59 PRO CA 1 1 9 10633 1 1 59 PRO CB C -6.980 -9.577 2.453 1.00 . A A . 59 PRO CB 1 1 9 10634 1 1 59 PRO CD C -8.473 -8.075 1.350 1.00 . A A . 59 PRO CD 1 1 9 10635 1 1 59 PRO CG C -7.503 -8.144 2.529 1.00 . A A . 59 PRO CG 1 1 9 10636 1 1 59 PRO HA H -7.893 -11.218 1.384 1.00 . A A . 59 PRO HA 1 1 9 10637 1 1 59 PRO HB2 H -6.584 -9.932 3.404 1.00 . A A . 59 PRO HB2 1 1 9 10638 1 1 59 PRO HB3 H -6.209 -9.636 1.682 1.00 . A A . 59 PRO HB3 1 1 9 10639 1 1 59 PRO HD2 H -9.265 -7.359 1.570 1.00 . A A . 59 PRO HD2 1 1 9 10640 1 1 59 PRO HD3 H -7.925 -7.783 0.453 1.00 . A A . 59 PRO HD3 1 1 9 10641 1 1 59 PRO HG2 H -8.055 -8.006 3.460 1.00 . A A . 59 PRO HG2 1 1 9 10642 1 1 59 PRO HG3 H -6.707 -7.403 2.447 1.00 . A A . 59 PRO HG3 1 1 9 10643 1 1 59 PRO N N -8.971 -9.428 1.170 1.00 . A A . 59 PRO N 1 1 9 10644 1 1 59 PRO O O -10.134 -10.295 3.427 1.00 . A A . 59 PRO O 1 1 9 10645 1 1 60 THR C C -8.506 -13.308 5.844 1.00 . A A . 60 THR C 1 1 9 10646 1 1 60 THR CA C -9.427 -12.554 4.881 1.00 . A A . 60 THR CA 1 1 9 10647 1 1 60 THR CB C -10.520 -13.413 4.210 1.00 . A A . 60 THR CB 1 1 9 10648 1 1 60 THR CG2 C -11.070 -14.541 5.084 1.00 . A A . 60 THR CG2 1 1 9 10649 1 1 60 THR H H -7.737 -12.305 3.603 1.00 . A A . 60 THR H 1 1 9 10650 1 1 60 THR HA H -9.924 -11.790 5.484 1.00 . A A . 60 THR HA 1 1 9 10651 1 1 60 THR HB H -10.126 -13.857 3.295 1.00 . A A . 60 THR HB 1 1 9 10652 1 1 60 THR HG1 H -11.272 -11.734 3.547 1.00 . A A . 60 THR HG1 1 1 9 10653 1 1 60 THR HG21 H -11.352 -14.159 6.066 1.00 . A A . 60 THR HG21 1 1 9 10654 1 1 60 THR HG22 H -11.949 -14.969 4.600 1.00 . A A . 60 THR HG22 1 1 9 10655 1 1 60 THR HG23 H -10.325 -15.326 5.188 1.00 . A A . 60 THR HG23 1 1 9 10656 1 1 60 THR N N -8.631 -11.903 3.845 1.00 . A A . 60 THR N 1 1 9 10657 1 1 60 THR O O -8.579 -13.098 7.053 1.00 . A A . 60 THR O 1 1 9 10658 1 1 60 THR OG1 O -11.610 -12.581 3.868 1.00 . A A . 60 THR OG1 1 1 9 10659 1 1 61 LYS C C -5.191 -14.080 5.540 1.00 . A A . 61 LYS C 1 1 9 10660 1 1 61 LYS CA C -6.481 -14.679 6.093 1.00 . A A . 61 LYS CA 1 1 9 10661 1 1 61 LYS CB C -6.500 -16.214 6.071 1.00 . A A . 61 LYS CB 1 1 9 10662 1 1 61 LYS CD C -7.991 -16.444 8.149 1.00 . A A . 61 LYS CD 1 1 9 10663 1 1 61 LYS CE C -9.251 -17.124 8.705 1.00 . A A . 61 LYS CE 1 1 9 10664 1 1 61 LYS CG C -7.788 -16.803 6.666 1.00 . A A . 61 LYS CG 1 1 9 10665 1 1 61 LYS H H -7.582 -14.290 4.325 1.00 . A A . 61 LYS H 1 1 9 10666 1 1 61 LYS HA H -6.517 -14.360 7.135 1.00 . A A . 61 LYS HA 1 1 9 10667 1 1 61 LYS HB2 H -6.404 -16.556 5.039 1.00 . A A . 61 LYS HB2 1 1 9 10668 1 1 61 LYS HB3 H -5.644 -16.588 6.636 1.00 . A A . 61 LYS HB3 1 1 9 10669 1 1 61 LYS HD2 H -7.110 -16.762 8.710 1.00 . A A . 61 LYS HD2 1 1 9 10670 1 1 61 LYS HD3 H -8.108 -15.364 8.249 1.00 . A A . 61 LYS HD3 1 1 9 10671 1 1 61 LYS HE2 H -10.113 -16.826 8.105 1.00 . A A . 61 LYS HE2 1 1 9 10672 1 1 61 LYS HE3 H -9.139 -18.208 8.637 1.00 . A A . 61 LYS HE3 1 1 9 10673 1 1 61 LYS HG2 H -8.632 -16.446 6.079 1.00 . A A . 61 LYS HG2 1 1 9 10674 1 1 61 LYS HG3 H -7.736 -17.887 6.562 1.00 . A A . 61 LYS HG3 1 1 9 10675 1 1 61 LYS HZ1 H -10.346 -17.209 10.442 1.00 . A A . 61 LYS HZ1 1 1 9 10676 1 1 61 LYS HZ2 H -8.733 -17.035 10.700 1.00 . A A . 61 LYS HZ2 1 1 9 10677 1 1 61 LYS HZ3 H -9.632 -15.751 10.193 1.00 . A A . 61 LYS HZ3 1 1 9 10678 1 1 61 LYS N N -7.595 -14.135 5.322 1.00 . A A . 61 LYS N 1 1 9 10679 1 1 61 LYS NZ N -9.506 -16.752 10.114 1.00 . A A . 61 LYS NZ 1 1 9 10680 1 1 61 LYS O O -4.364 -14.772 4.954 1.00 . A A . 61 LYS O 1 1 9 10681 1 1 62 CYS C C -3.652 -12.148 3.834 1.00 . A A . 62 CYS C 1 1 9 10682 1 1 62 CYS CA C -3.894 -11.985 5.336 1.00 . A A . 62 CYS CA 1 1 9 10683 1 1 62 CYS CB C -2.707 -12.329 6.211 1.00 . A A . 62 CYS CB 1 1 9 10684 1 1 62 CYS H H -5.776 -12.289 6.246 1.00 . A A . 62 CYS H 1 1 9 10685 1 1 62 CYS HA H -4.161 -10.943 5.483 1.00 . A A . 62 CYS HA 1 1 9 10686 1 1 62 CYS HB2 H -2.334 -13.321 5.953 1.00 . A A . 62 CYS HB2 1 1 9 10687 1 1 62 CYS HB3 H -1.906 -11.603 6.062 1.00 . A A . 62 CYS HB3 1 1 9 10688 1 1 62 CYS N N -5.051 -12.768 5.739 1.00 . A A . 62 CYS N 1 1 9 10689 1 1 62 CYS O O -4.593 -12.024 3.051 1.00 . A A . 62 CYS O 1 1 9 10690 1 1 62 CYS SG S -3.169 -12.377 7.965 1.00 . A A . 62 CYS SG 1 1 9 10691 1 1 63 GLY C C -2.006 -11.727 1.061 1.00 . A A . 63 GLY C 1 1 9 10692 1 1 63 GLY CA C -2.074 -12.861 2.080 1.00 . A A . 63 GLY CA 1 1 9 10693 1 1 63 GLY H H -1.673 -12.364 4.109 1.00 . A A . 63 GLY H 1 1 9 10694 1 1 63 GLY HA2 H -1.105 -13.359 2.118 1.00 . A A . 63 GLY HA2 1 1 9 10695 1 1 63 GLY HA3 H -2.819 -13.588 1.751 1.00 . A A . 63 GLY HA3 1 1 9 10696 1 1 63 GLY N N -2.406 -12.390 3.420 1.00 . A A . 63 GLY N 1 1 9 10697 1 1 63 GLY O O -1.054 -11.638 0.294 1.00 . A A . 63 GLY O 1 1 9 10698 1 1 64 GLY C C -2.010 -8.916 -0.246 1.00 . A A . 64 GLY C 1 1 9 10699 1 1 64 GLY CA C -3.228 -9.776 0.110 1.00 . A A . 64 GLY CA 1 1 9 10700 1 1 64 GLY H H -3.755 -11.034 1.735 1.00 . A A . 64 GLY H 1 1 9 10701 1 1 64 GLY HA2 H -3.640 -10.208 -0.803 1.00 . A A . 64 GLY HA2 1 1 9 10702 1 1 64 GLY HA3 H -3.971 -9.110 0.549 1.00 . A A . 64 GLY HA3 1 1 9 10703 1 1 64 GLY N N -3.005 -10.841 1.081 1.00 . A A . 64 GLY N 1 1 9 10704 1 1 64 GLY O O -2.012 -8.260 -1.281 1.00 . A A . 64 GLY O 1 1 9 10705 1 1 65 CYS C C 1.396 -8.528 0.943 1.00 . A A . 65 CYS C 1 1 9 10706 1 1 65 CYS CA C 0.074 -7.870 0.551 1.00 . A A . 65 CYS CA 1 1 9 10707 1 1 65 CYS CB C -0.232 -6.695 1.447 1.00 . A A . 65 CYS CB 1 1 9 10708 1 1 65 CYS H H -1.022 -9.491 1.406 1.00 . A A . 65 CYS H 1 1 9 10709 1 1 65 CYS HA H 0.171 -7.508 -0.473 1.00 . A A . 65 CYS HA 1 1 9 10710 1 1 65 CYS HB2 H -0.111 -7.018 2.479 1.00 . A A . 65 CYS HB2 1 1 9 10711 1 1 65 CYS HB3 H 0.466 -5.883 1.252 1.00 . A A . 65 CYS HB3 1 1 9 10712 1 1 65 CYS N N -1.012 -8.842 0.640 1.00 . A A . 65 CYS N 1 1 9 10713 1 1 65 CYS O O 2.377 -8.450 0.208 1.00 . A A . 65 CYS O 1 1 9 10714 1 1 65 CYS SG S -1.935 -6.094 1.197 1.00 . A A . 65 CYS SG 1 1 9 10715 1 1 66 HIS C C 2.857 -11.100 1.779 1.00 . A A . 66 HIS C 1 1 9 10716 1 1 66 HIS CA C 2.622 -9.839 2.598 1.00 . A A . 66 HIS CA 1 1 9 10717 1 1 66 HIS CB C 2.480 -10.250 4.065 1.00 . A A . 66 HIS CB 1 1 9 10718 1 1 66 HIS CD2 C 1.234 -8.608 5.577 1.00 . A A . 66 HIS CD2 1 1 9 10719 1 1 66 HIS CE1 C 2.934 -7.543 6.444 1.00 . A A . 66 HIS CE1 1 1 9 10720 1 1 66 HIS CG C 2.379 -9.119 5.037 1.00 . A A . 66 HIS CG 1 1 9 10721 1 1 66 HIS H H 0.598 -9.188 2.686 1.00 . A A . 66 HIS H 1 1 9 10722 1 1 66 HIS HA H 3.482 -9.174 2.505 1.00 . A A . 66 HIS HA 1 1 9 10723 1 1 66 HIS HB2 H 1.645 -10.942 4.177 1.00 . A A . 66 HIS HB2 1 1 9 10724 1 1 66 HIS HB3 H 3.390 -10.791 4.307 1.00 . A A . 66 HIS HB3 1 1 9 10725 1 1 66 HIS HD1 H 4.424 -8.614 5.386 1.00 . A A . 66 HIS HD1 1 1 9 10726 1 1 66 HIS HD2 H 0.225 -8.904 5.380 1.00 . A A . 66 HIS HD2 1 1 9 10727 1 1 66 HIS HE1 H 3.504 -6.839 7.028 1.00 . A A . 66 HIS HE1 1 1 9 10728 1 1 66 HIS N N 1.429 -9.161 2.120 1.00 . A A . 66 HIS N 1 1 9 10729 1 1 66 HIS ND1 N 3.442 -8.473 5.615 1.00 . A A . 66 HIS ND1 1 1 9 10730 1 1 66 HIS NE2 N 1.593 -7.596 6.460 1.00 . A A . 66 HIS NE2 1 1 9 10731 1 1 66 HIS O O 2.007 -11.992 1.780 1.00 . A A . 66 HIS O 1 1 9 10732 1 1 67 ILE C C 4.860 -13.452 1.547 1.00 . A A . 67 ILE C 1 1 9 10733 1 1 67 ILE CA C 4.414 -12.445 0.477 1.00 . A A . 67 ILE CA 1 1 9 10734 1 1 67 ILE CB C 5.470 -12.141 -0.605 1.00 . A A . 67 ILE CB 1 1 9 10735 1 1 67 ILE CD1 C 3.671 -11.121 -2.167 1.00 . A A . 67 ILE CD1 1 1 9 10736 1 1 67 ILE CG1 C 5.052 -10.967 -1.517 1.00 . A A . 67 ILE CG1 1 1 9 10737 1 1 67 ILE CG2 C 5.750 -13.392 -1.453 1.00 . A A . 67 ILE CG2 1 1 9 10738 1 1 67 ILE H H 4.711 -10.471 1.229 1.00 . A A . 67 ILE H 1 1 9 10739 1 1 67 ILE HA H 3.545 -12.867 -0.031 1.00 . A A . 67 ILE HA 1 1 9 10740 1 1 67 ILE HB H 6.402 -11.849 -0.118 1.00 . A A . 67 ILE HB 1 1 9 10741 1 1 67 ILE HD11 H 3.619 -12.037 -2.754 1.00 . A A . 67 ILE HD11 1 1 9 10742 1 1 67 ILE HD12 H 2.886 -11.128 -1.411 1.00 . A A . 67 ILE HD12 1 1 9 10743 1 1 67 ILE HD13 H 3.492 -10.276 -2.832 1.00 . A A . 67 ILE HD13 1 1 9 10744 1 1 67 ILE HG12 H 5.054 -10.040 -0.942 1.00 . A A . 67 ILE HG12 1 1 9 10745 1 1 67 ILE HG13 H 5.794 -10.858 -2.309 1.00 . A A . 67 ILE HG13 1 1 9 10746 1 1 67 ILE HG21 H 4.829 -13.773 -1.893 1.00 . A A . 67 ILE HG21 1 1 9 10747 1 1 67 ILE HG22 H 6.450 -13.148 -2.251 1.00 . A A . 67 ILE HG22 1 1 9 10748 1 1 67 ILE HG23 H 6.191 -14.175 -0.838 1.00 . A A . 67 ILE HG23 1 1 9 10749 1 1 67 ILE N N 4.027 -11.219 1.154 1.00 . A A . 67 ILE N 1 1 9 10750 1 1 67 ILE O O 6.054 -13.680 1.730 1.00 . A A . 67 ILE O 1 1 9 10751 1 1 68 LYS C C 3.757 -14.233 4.688 1.00 . A A . 68 LYS C 1 1 9 10752 1 1 68 LYS CA C 3.935 -14.969 3.355 1.00 . A A . 68 LYS CA 1 1 9 10753 1 1 68 LYS CB C 5.199 -15.850 3.316 1.00 . A A . 68 LYS CB 1 1 9 10754 1 1 68 LYS CD C 4.102 -18.123 3.689 1.00 . A A . 68 LYS CD 1 1 9 10755 1 1 68 LYS CE C 4.221 -19.442 4.464 1.00 . A A . 68 LYS CE 1 1 9 10756 1 1 68 LYS CG C 5.131 -17.104 4.200 1.00 . A A . 68 LYS CG 1 1 9 10757 1 1 68 LYS H H 2.947 -13.628 2.061 1.00 . A A . 68 LYS H 1 1 9 10758 1 1 68 LYS HA H 3.063 -15.606 3.227 1.00 . A A . 68 LYS HA 1 1 9 10759 1 1 68 LYS HB2 H 5.388 -16.171 2.291 1.00 . A A . 68 LYS HB2 1 1 9 10760 1 1 68 LYS HB3 H 6.048 -15.254 3.657 1.00 . A A . 68 LYS HB3 1 1 9 10761 1 1 68 LYS HD2 H 3.099 -17.714 3.823 1.00 . A A . 68 LYS HD2 1 1 9 10762 1 1 68 LYS HD3 H 4.280 -18.294 2.624 1.00 . A A . 68 LYS HD3 1 1 9 10763 1 1 68 LYS HE2 H 5.229 -19.844 4.339 1.00 . A A . 68 LYS HE2 1 1 9 10764 1 1 68 LYS HE3 H 4.054 -19.248 5.525 1.00 . A A . 68 LYS HE3 1 1 9 10765 1 1 68 LYS HG2 H 6.123 -17.559 4.188 1.00 . A A . 68 LYS HG2 1 1 9 10766 1 1 68 LYS HG3 H 4.902 -16.815 5.228 1.00 . A A . 68 LYS HG3 1 1 9 10767 1 1 68 LYS HZ1 H 2.301 -20.099 4.118 1.00 . A A . 68 LYS HZ1 1 1 9 10768 1 1 68 LYS HZ2 H 3.396 -20.654 3.019 1.00 . A A . 68 LYS HZ2 1 1 9 10769 1 1 68 LYS HZ3 H 3.346 -21.299 4.528 1.00 . A A . 68 LYS HZ3 1 1 9 10770 1 1 68 LYS N N 3.865 -14.023 2.240 1.00 . A A . 68 LYS N 1 1 9 10771 1 1 68 LYS NZ N 3.242 -20.447 3.995 1.00 . A A . 68 LYS NZ 1 1 9 10772 1 1 68 LYS O O 3.944 -12.996 4.730 1.00 . A A . 68 LYS O 1 1 9 10773 1 1 68 LYS OXT O 3.375 -14.876 5.694 1.00 . A A . 68 LYS OXT 1 1 9 10774 2 2 1 HEC C1A C 7.623 8.188 -3.298 1.00 . B A . 69 HEC C1A 1 1 9 10775 2 2 1 HEC C1B C 5.030 9.153 -6.545 1.00 . B A . 69 HEC C1B 1 1 9 10776 2 2 1 HEC C1C C 2.210 6.270 -5.172 1.00 . B A . 69 HEC C1C 1 1 9 10777 2 2 1 HEC C1D C 4.617 5.608 -1.704 1.00 . B A . 69 HEC C1D 1 1 9 10778 2 2 1 HEC C2A C 8.656 9.139 -3.637 1.00 . B A . 69 HEC C2A 1 1 9 10779 2 2 1 HEC C2B C 4.282 9.583 -7.704 1.00 . B A . 69 HEC C2B 1 1 9 10780 2 2 1 HEC C2C C 1.057 5.518 -4.744 1.00 . B A . 69 HEC C2C 1 1 9 10781 2 2 1 HEC C2D C 5.374 5.200 -0.544 1.00 . B A . 69 HEC C2D 1 1 9 10782 2 2 1 HEC C3A C 8.234 9.804 -4.757 1.00 . B A . 69 HEC C3A 1 1 9 10783 2 2 1 HEC C3B C 3.162 8.789 -7.780 1.00 . B A . 69 HEC C3B 1 1 9 10784 2 2 1 HEC C3C C 1.319 5.062 -3.471 1.00 . B A . 69 HEC C3C 1 1 9 10785 2 2 1 HEC C3D C 6.637 5.716 -0.669 1.00 . B A . 69 HEC C3D 1 1 9 10786 2 2 1 HEC C4A C 6.927 9.289 -5.084 1.00 . B A . 69 HEC C4A 1 1 9 10787 2 2 1 HEC C4B C 3.253 7.831 -6.696 1.00 . B A . 69 HEC C4B 1 1 9 10788 2 2 1 HEC C4C C 2.664 5.504 -3.132 1.00 . B A . 69 HEC C4C 1 1 9 10789 2 2 1 HEC C4D C 6.627 6.557 -1.840 1.00 . B A . 69 HEC C4D 1 1 9 10790 2 2 1 HEC CAA C 9.913 9.440 -2.855 1.00 . B A . 69 HEC CAA 1 1 9 10791 2 2 1 HEC CAB C 1.901 9.131 -8.555 1.00 . B A . 69 HEC CAB 1 1 9 10792 2 2 1 HEC CAC C 0.321 4.381 -2.543 1.00 . B A . 69 HEC CAC 1 1 9 10793 2 2 1 HEC CAD C 7.784 5.515 0.296 1.00 . B A . 69 HEC CAD 1 1 9 10794 2 2 1 HEC CBA C 11.013 8.383 -3.003 1.00 . B A . 69 HEC CBA 1 1 9 10795 2 2 1 HEC CBB C 2.097 9.501 -10.033 1.00 . B A . 69 HEC CBB 1 1 9 10796 2 2 1 HEC CBC C -0.177 3.010 -3.017 1.00 . B A . 69 HEC CBC 1 1 9 10797 2 2 1 HEC CBD C 8.481 4.151 0.241 1.00 . B A . 69 HEC CBD 1 1 9 10798 2 2 1 HEC CGA C 12.197 8.706 -2.086 1.00 . B A . 69 HEC CGA 1 1 9 10799 2 2 1 HEC CGD C 9.703 4.131 1.170 1.00 . B A . 69 HEC CGD 1 1 9 10800 2 2 1 HEC CHA C 7.684 7.350 -2.215 1.00 . B A . 69 HEC CHA 1 1 9 10801 2 2 1 HEC CHB C 6.198 9.753 -6.138 1.00 . B A . 69 HEC CHB 1 1 9 10802 2 2 1 HEC CHC C 2.244 6.948 -6.369 1.00 . B A . 69 HEC CHC 1 1 9 10803 2 2 1 HEC CHD C 3.315 5.215 -1.937 1.00 . B A . 69 HEC CHD 1 1 9 10804 2 2 1 HEC CMA C 9.033 10.814 -5.549 1.00 . B A . 69 HEC CMA 1 1 9 10805 2 2 1 HEC CMB C 4.606 10.739 -8.628 1.00 . B A . 69 HEC CMB 1 1 9 10806 2 2 1 HEC CMC C -0.253 5.461 -5.501 1.00 . B A . 69 HEC CMC 1 1 9 10807 2 2 1 HEC CMD C 4.864 4.395 0.622 1.00 . B A . 69 HEC CMD 1 1 9 10808 2 2 1 HEC FE FE 4.901 7.242 -4.230 1.00 . B A . 69 HEC FE 1 1 9 10809 2 2 1 HEC HAA1 H 10.332 10.399 -3.153 1.00 . B A . 69 HEC HAA1 1 1 9 10810 2 2 1 HEC HAA2 H 9.661 9.531 -1.803 1.00 . B A . 69 HEC HAA2 1 1 9 10811 2 2 1 HEC HAB H 1.236 8.273 -8.561 1.00 . B A . 69 HEC HAB 1 1 9 10812 2 2 1 HEC HAC H 0.774 4.240 -1.566 1.00 . B A . 69 HEC HAC 1 1 9 10813 2 2 1 HEC HAD1 H 8.574 6.234 0.123 1.00 . B A . 69 HEC HAD1 1 1 9 10814 2 2 1 HEC HAD2 H 7.423 5.667 1.302 1.00 . B A . 69 HEC HAD2 1 1 9 10815 2 2 1 HEC HBA1 H 10.618 7.401 -2.743 1.00 . B A . 69 HEC HBA1 1 1 9 10816 2 2 1 HEC HBA2 H 11.334 8.358 -4.046 1.00 . B A . 69 HEC HBA2 1 1 9 10817 2 2 1 HEC HBB1 H 1.152 9.382 -10.565 1.00 . B A . 69 HEC HBB1 1 1 9 10818 2 2 1 HEC HBB2 H 2.412 10.537 -10.143 1.00 . B A . 69 HEC HBB2 1 1 9 10819 2 2 1 HEC HBB3 H 2.832 8.840 -10.490 1.00 . B A . 69 HEC HBB3 1 1 9 10820 2 2 1 HEC HBC1 H -1.015 3.108 -3.707 1.00 . B A . 69 HEC HBC1 1 1 9 10821 2 2 1 HEC HBC2 H 0.629 2.448 -3.490 1.00 . B A . 69 HEC HBC2 1 1 9 10822 2 2 1 HEC HBC3 H -0.532 2.447 -2.156 1.00 . B A . 69 HEC HBC3 1 1 9 10823 2 2 1 HEC HBD1 H 7.789 3.369 0.547 1.00 . B A . 69 HEC HBD1 1 1 9 10824 2 2 1 HEC HBD2 H 8.799 3.962 -0.786 1.00 . B A . 69 HEC HBD2 1 1 9 10825 2 2 1 HEC HHA H 8.577 7.347 -1.623 1.00 . B A . 69 HEC HHA 1 1 9 10826 2 2 1 HEC HHB H 6.564 10.615 -6.652 1.00 . B A . 69 HEC HHB 1 1 9 10827 2 2 1 HEC HHC H 1.386 6.871 -7.007 1.00 . B A . 69 HEC HHC 1 1 9 10828 2 2 1 HEC HHD H 2.820 4.638 -1.170 1.00 . B A . 69 HEC HHD 1 1 9 10829 2 2 1 HEC HMA1 H 8.847 10.690 -6.614 1.00 . B A . 69 HEC HMA1 1 1 9 10830 2 2 1 HEC HMA2 H 8.761 11.822 -5.242 1.00 . B A . 69 HEC HMA2 1 1 9 10831 2 2 1 HEC HMA3 H 10.099 10.660 -5.381 1.00 . B A . 69 HEC HMA3 1 1 9 10832 2 2 1 HEC HMB1 H 5.530 11.247 -8.372 1.00 . B A . 69 HEC HMB1 1 1 9 10833 2 2 1 HEC HMB2 H 4.697 10.367 -9.647 1.00 . B A . 69 HEC HMB2 1 1 9 10834 2 2 1 HEC HMB3 H 3.796 11.466 -8.568 1.00 . B A . 69 HEC HMB3 1 1 9 10835 2 2 1 HEC HMC1 H -0.995 4.843 -5.008 1.00 . B A . 69 HEC HMC1 1 1 9 10836 2 2 1 HEC HMC2 H -0.655 6.471 -5.580 1.00 . B A . 69 HEC HMC2 1 1 9 10837 2 2 1 HEC HMC3 H -0.081 5.068 -6.500 1.00 . B A . 69 HEC HMC3 1 1 9 10838 2 2 1 HEC HMD1 H 4.377 5.072 1.316 1.00 . B A . 69 HEC HMD1 1 1 9 10839 2 2 1 HEC HMD2 H 4.149 3.656 0.278 1.00 . B A . 69 HEC HMD2 1 1 9 10840 2 2 1 HEC HMD3 H 5.676 3.880 1.132 1.00 . B A . 69 HEC HMD3 1 1 9 10841 2 2 1 HEC NA N 6.615 8.311 -4.201 1.00 . B A . 69 HEC NA 1 1 9 10842 2 2 1 HEC NB N 4.383 8.100 -5.979 1.00 . B A . 69 HEC NB 1 1 9 10843 2 2 1 HEC NC N 3.142 6.240 -4.187 1.00 . B A . 69 HEC NC 1 1 9 10844 2 2 1 HEC ND N 5.419 6.422 -2.449 1.00 . B A . 69 HEC ND 1 1 9 10845 2 2 1 HEC O1A O 13.300 8.936 -2.629 1.00 . B A . 69 HEC O1A 1 1 9 10846 2 2 1 HEC O1D O 9.772 5.020 2.054 1.00 . B A . 69 HEC O1D 1 1 9 10847 2 2 1 HEC O2A O 11.963 8.751 -0.858 1.00 . B A . 69 HEC O2A 1 1 9 10848 2 2 1 HEC O2D O 10.576 3.263 0.980 1.00 . B A . 69 HEC O2D 1 1 9 10849 3 2 1 HEC C1A C -2.028 -4.547 -4.926 1.00 . C A . 70 HEC C1A 1 1 9 10850 3 2 1 HEC C1B C -0.392 -2.436 -1.602 1.00 . C A . 70 HEC C1B 1 1 9 10851 3 2 1 HEC C1C C -3.279 0.682 -2.162 1.00 . C A . 70 HEC C1C 1 1 9 10852 3 2 1 HEC C1D C -5.024 -1.504 -5.333 1.00 . C A . 70 HEC C1D 1 1 9 10853 3 2 1 HEC C2A C -1.214 -5.733 -4.805 1.00 . C A . 70 HEC C2A 1 1 9 10854 3 2 1 HEC C2B C 0.216 -1.854 -0.431 1.00 . C A . 70 HEC C2B 1 1 9 10855 3 2 1 HEC C2C C -4.156 1.825 -2.237 1.00 . C A . 70 HEC C2C 1 1 9 10856 3 2 1 HEC C2D C -5.692 -2.097 -6.464 1.00 . C A . 70 HEC C2D 1 1 9 10857 3 2 1 HEC C3A C -0.321 -5.514 -3.781 1.00 . C A . 70 HEC C3A 1 1 9 10858 3 2 1 HEC C3B C -0.407 -0.649 -0.196 1.00 . C A . 70 HEC C3B 1 1 9 10859 3 2 1 HEC C3C C -5.180 1.483 -3.090 1.00 . C A . 70 HEC C3C 1 1 9 10860 3 2 1 HEC C3D C -4.932 -3.164 -6.868 1.00 . C A . 70 HEC C3D 1 1 9 10861 3 2 1 HEC C4A C -0.622 -4.214 -3.220 1.00 . C A . 70 HEC C4A 1 1 9 10862 3 2 1 HEC C4B C -1.413 -0.497 -1.221 1.00 . C A . 70 HEC C4B 1 1 9 10863 3 2 1 HEC C4C C -4.759 0.259 -3.740 1.00 . C A . 70 HEC C4C 1 1 9 10864 3 2 1 HEC C4D C -3.904 -3.352 -5.867 1.00 . C A . 70 HEC C4D 1 1 9 10865 3 2 1 HEC CAA C -1.520 -7.069 -5.448 1.00 . C A . 70 HEC CAA 1 1 9 10866 3 2 1 HEC CAB C -0.152 0.310 0.957 1.00 . C A . 70 HEC CAB 1 1 9 10867 3 2 1 HEC CAC C -6.541 2.163 -3.244 1.00 . C A . 70 HEC CAC 1 1 9 10868 3 2 1 HEC CAD C -4.986 -3.788 -8.247 1.00 . C A . 70 HEC CAD 1 1 9 10869 3 2 1 HEC CBA C -2.759 -7.709 -4.799 1.00 . C A . 70 HEC CBA 1 1 9 10870 3 2 1 HEC CBB C 1.195 1.025 0.861 1.00 . C A . 70 HEC CBB 1 1 9 10871 3 2 1 HEC CBC C -6.594 3.176 -4.384 1.00 . C A . 70 HEC CBC 1 1 9 10872 3 2 1 HEC CBD C -6.032 -4.890 -8.465 1.00 . C A . 70 HEC CBD 1 1 9 10873 3 2 1 HEC CGA C -3.130 -9.095 -5.339 1.00 . C A . 70 HEC CGA 1 1 9 10874 3 2 1 HEC CGD C -6.352 -5.059 -9.958 1.00 . C A . 70 HEC CGD 1 1 9 10875 3 2 1 HEC CHA C -3.023 -4.405 -5.869 1.00 . C A . 70 HEC CHA 1 1 9 10876 3 2 1 HEC CHB C -0.004 -3.659 -2.115 1.00 . C A . 70 HEC CHB 1 1 9 10877 3 2 1 HEC CHC C -2.246 0.595 -1.281 1.00 . C A . 70 HEC CHC 1 1 9 10878 3 2 1 HEC CHD C -5.455 -0.339 -4.751 1.00 . C A . 70 HEC CHD 1 1 9 10879 3 2 1 HEC CMA C 0.715 -6.508 -3.310 1.00 . C A . 70 HEC CMA 1 1 9 10880 3 2 1 HEC CMB C 1.255 -2.526 0.429 1.00 . C A . 70 HEC CMB 1 1 9 10881 3 2 1 HEC CMC C -3.947 3.140 -1.520 1.00 . C A . 70 HEC CMC 1 1 9 10882 3 2 1 HEC CMD C -6.958 -1.605 -7.132 1.00 . C A . 70 HEC CMD 1 1 9 10883 3 2 1 HEC FE FE -2.581 -1.958 -3.509 1.00 . C A . 70 HEC FE 1 1 9 10884 3 2 1 HEC HAA1 H -1.701 -6.953 -6.517 1.00 . C A . 70 HEC HAA1 1 1 9 10885 3 2 1 HEC HAA2 H -0.681 -7.753 -5.333 1.00 . C A . 70 HEC HAA2 1 1 9 10886 3 2 1 HEC HAB H -0.884 1.107 0.974 1.00 . C A . 70 HEC HAB 1 1 9 10887 3 2 1 HEC HAC H -7.290 1.391 -3.426 1.00 . C A . 70 HEC HAC 1 1 9 10888 3 2 1 HEC HAD1 H -5.217 -2.978 -8.938 1.00 . C A . 70 HEC HAD1 1 1 9 10889 3 2 1 HEC HAD2 H -4.009 -4.176 -8.532 1.00 . C A . 70 HEC HAD2 1 1 9 10890 3 2 1 HEC HBA1 H -2.570 -7.799 -3.732 1.00 . C A . 70 HEC HBA1 1 1 9 10891 3 2 1 HEC HBA2 H -3.612 -7.045 -4.939 1.00 . C A . 70 HEC HBA2 1 1 9 10892 3 2 1 HEC HBB1 H 1.339 1.412 -0.149 1.00 . C A . 70 HEC HBB1 1 1 9 10893 3 2 1 HEC HBB2 H 1.201 1.865 1.552 1.00 . C A . 70 HEC HBB2 1 1 9 10894 3 2 1 HEC HBB3 H 2.011 0.351 1.104 1.00 . C A . 70 HEC HBB3 1 1 9 10895 3 2 1 HEC HBC1 H -5.753 3.865 -4.290 1.00 . C A . 70 HEC HBC1 1 1 9 10896 3 2 1 HEC HBC2 H -6.556 2.662 -5.338 1.00 . C A . 70 HEC HBC2 1 1 9 10897 3 2 1 HEC HBC3 H -7.525 3.745 -4.347 1.00 . C A . 70 HEC HBC3 1 1 9 10898 3 2 1 HEC HBD1 H -5.653 -5.828 -8.054 1.00 . C A . 70 HEC HBD1 1 1 9 10899 3 2 1 HEC HBD2 H -6.948 -4.629 -7.935 1.00 . C A . 70 HEC HBD2 1 1 9 10900 3 2 1 HEC HHA H -3.170 -5.189 -6.593 1.00 . C A . 70 HEC HHA 1 1 9 10901 3 2 1 HEC HHB H 0.791 -4.186 -1.615 1.00 . C A . 70 HEC HHB 1 1 9 10902 3 2 1 HEC HHC H -2.135 1.386 -0.568 1.00 . C A . 70 HEC HHC 1 1 9 10903 3 2 1 HEC HHD H -6.332 0.150 -5.133 1.00 . C A . 70 HEC HHD 1 1 9 10904 3 2 1 HEC HMA1 H 1.479 -6.618 -4.078 1.00 . C A . 70 HEC HMA1 1 1 9 10905 3 2 1 HEC HMA2 H 1.191 -6.196 -2.385 1.00 . C A . 70 HEC HMA2 1 1 9 10906 3 2 1 HEC HMA3 H 0.231 -7.471 -3.141 1.00 . C A . 70 HEC HMA3 1 1 9 10907 3 2 1 HEC HMB1 H 2.092 -2.843 -0.188 1.00 . C A . 70 HEC HMB1 1 1 9 10908 3 2 1 HEC HMB2 H 1.615 -1.850 1.197 1.00 . C A . 70 HEC HMB2 1 1 9 10909 3 2 1 HEC HMB3 H 0.789 -3.391 0.902 1.00 . C A . 70 HEC HMB3 1 1 9 10910 3 2 1 HEC HMC1 H -4.495 3.939 -2.018 1.00 . C A . 70 HEC HMC1 1 1 9 10911 3 2 1 HEC HMC2 H -4.274 3.064 -0.484 1.00 . C A . 70 HEC HMC2 1 1 9 10912 3 2 1 HEC HMC3 H -2.892 3.402 -1.540 1.00 . C A . 70 HEC HMC3 1 1 9 10913 3 2 1 HEC HMD1 H -7.665 -1.262 -6.379 1.00 . C A . 70 HEC HMD1 1 1 9 10914 3 2 1 HEC HMD2 H -6.725 -0.790 -7.814 1.00 . C A . 70 HEC HMD2 1 1 9 10915 3 2 1 HEC HMD3 H -7.422 -2.414 -7.693 1.00 . C A . 70 HEC HMD3 1 1 9 10916 3 2 1 HEC NA N -1.660 -3.686 -3.930 1.00 . C A . 70 HEC NA 1 1 9 10917 3 2 1 HEC NB N -1.372 -1.598 -2.028 1.00 . C A . 70 HEC NB 1 1 9 10918 3 2 1 HEC NC N -3.636 -0.202 -3.112 1.00 . C A . 70 HEC NC 1 1 9 10919 3 2 1 HEC ND N -3.952 -2.293 -5.009 1.00 . C A . 70 HEC ND 1 1 9 10920 3 2 1 HEC O1A O -4.112 -9.663 -4.802 1.00 . C A . 70 HEC O1A 1 1 9 10921 3 2 1 HEC O1D O -5.490 -4.685 -10.791 1.00 . C A . 70 HEC O1D 1 1 9 10922 3 2 1 HEC O2A O -2.443 -9.553 -6.279 1.00 . C A . 70 HEC O2A 1 1 9 10923 3 2 1 HEC O2D O -7.479 -5.487 -10.278 1.00 . C A . 70 HEC O2D 1 1 9 10924 4 2 1 HEC C1A C 2.631 -5.720 9.354 1.00 . D A . 71 HEC C1A 1 1 9 10925 4 2 1 HEC C1B C -0.179 -8.929 9.234 1.00 . D A . 71 HEC C1B 1 1 9 10926 4 2 1 HEC C1C C -1.864 -7.334 5.653 1.00 . D A . 71 HEC C1C 1 1 9 10927 4 2 1 HEC C1D C 1.170 -4.310 5.600 1.00 . D A . 71 HEC C1D 1 1 9 10928 4 2 1 HEC C2A C 3.357 -6.187 10.509 1.00 . D A . 71 HEC C2A 1 1 9 10929 4 2 1 HEC C2B C -1.071 -10.051 9.360 1.00 . D A . 71 HEC C2B 1 1 9 10930 4 2 1 HEC C2C C -2.488 -6.971 4.407 1.00 . D A . 71 HEC C2C 1 1 9 10931 4 2 1 HEC C2D C 2.174 -3.279 5.428 1.00 . D A . 71 HEC C2D 1 1 9 10932 4 2 1 HEC C3A C 2.760 -7.352 10.920 1.00 . D A . 71 HEC C3A 1 1 9 10933 4 2 1 HEC C3B C -2.019 -9.919 8.373 1.00 . D A . 71 HEC C3B 1 1 9 10934 4 2 1 HEC C3C C -1.850 -5.840 3.947 1.00 . D A . 71 HEC C3C 1 1 9 10935 4 2 1 HEC C3D C 2.910 -3.230 6.585 1.00 . D A . 71 HEC C3D 1 1 9 10936 4 2 1 HEC C4A C 1.686 -7.624 9.999 1.00 . D A . 71 HEC C4A 1 1 9 10937 4 2 1 HEC C4B C -1.590 -8.825 7.528 1.00 . D A . 71 HEC C4B 1 1 9 10938 4 2 1 HEC C4C C -0.771 -5.566 4.881 1.00 . D A . 71 HEC C4C 1 1 9 10939 4 2 1 HEC C4D C 2.431 -4.298 7.431 1.00 . D A . 71 HEC C4D 1 1 9 10940 4 2 1 HEC CAA C 4.715 -5.711 10.959 1.00 . D A . 71 HEC CAA 1 1 9 10941 4 2 1 HEC CAB C -3.370 -10.614 8.323 1.00 . D A . 71 HEC CAB 1 1 9 10942 4 2 1 HEC CAC C -2.162 -5.071 2.668 1.00 . D A . 71 HEC CAC 1 1 9 10943 4 2 1 HEC CAD C 3.923 -2.170 6.964 1.00 . D A . 71 HEC CAD 1 1 9 10944 4 2 1 HEC CBA C 5.814 -6.411 10.158 1.00 . D A . 71 HEC CBA 1 1 9 10945 4 2 1 HEC CBB C -4.181 -10.472 9.615 1.00 . D A . 71 HEC CBB 1 1 9 10946 4 2 1 HEC CBC C -3.557 -4.443 2.633 1.00 . D A . 71 HEC CBC 1 1 9 10947 4 2 1 HEC CBD C 5.338 -2.656 7.326 1.00 . D A . 71 HEC CBD 1 1 9 10948 4 2 1 HEC CGA C 7.159 -6.454 10.876 1.00 . D A . 71 HEC CGA 1 1 9 10949 4 2 1 HEC CGD C 5.885 -2.039 8.631 1.00 . D A . 71 HEC CGD 1 1 9 10950 4 2 1 HEC CHA C 2.990 -4.612 8.639 1.00 . D A . 71 HEC CHA 1 1 9 10951 4 2 1 HEC CHB C 0.856 -8.709 10.108 1.00 . D A . 71 HEC CHB 1 1 9 10952 4 2 1 HEC CHC C -2.239 -8.444 6.374 1.00 . D A . 71 HEC CHC 1 1 9 10953 4 2 1 HEC CHD C 0.186 -4.592 4.676 1.00 . D A . 71 HEC CHD 1 1 9 10954 4 2 1 HEC CMA C 3.185 -8.214 12.091 1.00 . D A . 71 HEC CMA 1 1 9 10955 4 2 1 HEC CMB C -0.952 -11.151 10.390 1.00 . D A . 71 HEC CMB 1 1 9 10956 4 2 1 HEC CMC C -3.572 -7.780 3.726 1.00 . D A . 71 HEC CMC 1 1 9 10957 4 2 1 HEC CMD C 2.415 -2.408 4.217 1.00 . D A . 71 HEC CMD 1 1 9 10958 4 2 1 HEC FE FE 0.408 -6.517 7.546 1.00 . D A . 71 HEC FE 1 1 9 10959 4 2 1 HEC HAA1 H 4.843 -4.640 10.807 1.00 . D A . 71 HEC HAA1 1 1 9 10960 4 2 1 HEC HAA2 H 4.827 -5.938 12.015 1.00 . D A . 71 HEC HAA2 1 1 9 10961 4 2 1 HEC HAB H -3.993 -10.171 7.553 1.00 . D A . 71 HEC HAB 1 1 9 10962 4 2 1 HEC HAC H -1.478 -4.238 2.547 1.00 . D A . 71 HEC HAC 1 1 9 10963 4 2 1 HEC HAD1 H 4.016 -1.411 6.188 1.00 . D A . 71 HEC HAD1 1 1 9 10964 4 2 1 HEC HAD2 H 3.496 -1.693 7.832 1.00 . D A . 71 HEC HAD2 1 1 9 10965 4 2 1 HEC HBA1 H 5.511 -7.441 9.990 1.00 . D A . 71 HEC HBA1 1 1 9 10966 4 2 1 HEC HBA2 H 5.909 -5.912 9.194 1.00 . D A . 71 HEC HBA2 1 1 9 10967 4 2 1 HEC HBB1 H -5.158 -10.935 9.476 1.00 . D A . 71 HEC HBB1 1 1 9 10968 4 2 1 HEC HBB2 H -3.682 -10.962 10.450 1.00 . D A . 71 HEC HBB2 1 1 9 10969 4 2 1 HEC HBB3 H -4.326 -9.420 9.854 1.00 . D A . 71 HEC HBB3 1 1 9 10970 4 2 1 HEC HBC1 H -3.661 -3.785 3.491 1.00 . D A . 71 HEC HBC1 1 1 9 10971 4 2 1 HEC HBC2 H -3.661 -3.852 1.721 1.00 . D A . 71 HEC HBC2 1 1 9 10972 4 2 1 HEC HBC3 H -4.340 -5.196 2.656 1.00 . D A . 71 HEC HBC3 1 1 9 10973 4 2 1 HEC HBD1 H 5.334 -3.740 7.429 1.00 . D A . 71 HEC HBD1 1 1 9 10974 4 2 1 HEC HBD2 H 5.995 -2.399 6.494 1.00 . D A . 71 HEC HBD2 1 1 9 10975 4 2 1 HEC HHA H 3.806 -4.005 8.988 1.00 . D A . 71 HEC HHA 1 1 9 10976 4 2 1 HEC HHB H 1.001 -9.394 10.924 1.00 . D A . 71 HEC HHB 1 1 9 10977 4 2 1 HEC HHC H -2.983 -9.093 5.944 1.00 . D A . 71 HEC HHC 1 1 9 10978 4 2 1 HEC HHD H 0.186 -4.053 3.745 1.00 . D A . 71 HEC HHD 1 1 9 10979 4 2 1 HEC HMA1 H 4.237 -8.053 12.322 1.00 . D A . 71 HEC HMA1 1 1 9 10980 4 2 1 HEC HMA2 H 2.582 -7.964 12.962 1.00 . D A . 71 HEC HMA2 1 1 9 10981 4 2 1 HEC HMA3 H 3.064 -9.269 11.853 1.00 . D A . 71 HEC HMA3 1 1 9 10982 4 2 1 HEC HMB1 H -1.208 -10.761 11.375 1.00 . D A . 71 HEC HMB1 1 1 9 10983 4 2 1 HEC HMB2 H -1.608 -11.985 10.154 1.00 . D A . 71 HEC HMB2 1 1 9 10984 4 2 1 HEC HMB3 H 0.070 -11.527 10.405 1.00 . D A . 71 HEC HMB3 1 1 9 10985 4 2 1 HEC HMC1 H -3.216 -8.800 3.580 1.00 . D A . 71 HEC HMC1 1 1 9 10986 4 2 1 HEC HMC2 H -4.466 -7.800 4.349 1.00 . D A . 71 HEC HMC2 1 1 9 10987 4 2 1 HEC HMC3 H -3.821 -7.369 2.753 1.00 . D A . 71 HEC HMC3 1 1 9 10988 4 2 1 HEC HMD1 H 3.399 -2.642 3.818 1.00 . D A . 71 HEC HMD1 1 1 9 10989 4 2 1 HEC HMD2 H 1.669 -2.554 3.444 1.00 . D A . 71 HEC HMD2 1 1 9 10990 4 2 1 HEC HMD3 H 2.398 -1.361 4.502 1.00 . D A . 71 HEC HMD3 1 1 9 10991 4 2 1 HEC NA N 1.653 -6.633 9.074 1.00 . D A . 71 HEC NA 1 1 9 10992 4 2 1 HEC NB N -0.561 -8.188 8.151 1.00 . D A . 71 HEC NB 1 1 9 10993 4 2 1 HEC NC N -0.892 -6.442 5.945 1.00 . D A . 71 HEC NC 1 1 9 10994 4 2 1 HEC ND N 1.392 -4.915 6.807 1.00 . D A . 71 HEC ND 1 1 9 10995 4 2 1 HEC O1A O 7.292 -5.701 11.874 1.00 . D A . 71 HEC O1A 1 1 9 10996 4 2 1 HEC O1D O 7.031 -1.549 8.626 1.00 . D A . 71 HEC O1D 1 1 9 10997 4 2 1 HEC O2A O 8.000 -7.275 10.433 1.00 . D A . 71 HEC O2A 1 1 9 10998 4 2 1 HEC O2D O 5.138 -2.049 9.640 1.00 . D A . 71 HEC O2D 1 1 10 10999 1 1 1 ALA C C 8.335 3.780 -10.751 1.00 . A A . 1 ALA C 1 1 10 11000 1 1 1 ALA CA C 9.056 4.872 -9.953 1.00 . A A . 1 ALA CA 1 1 10 11001 1 1 1 ALA CB C 9.199 6.168 -10.756 1.00 . A A . 1 ALA CB 1 1 10 11002 1 1 1 ALA H1 H 10.893 3.999 -10.325 1.00 . A A . 1 ALA H1 1 1 10 11003 1 1 1 ALA H2 H 10.931 5.047 -9.020 1.00 . A A . 1 ALA H2 1 1 10 11004 1 1 1 ALA H3 H 10.288 3.506 -8.971 1.00 . A A . 1 ALA H3 1 1 10 11005 1 1 1 ALA HA H 8.462 5.096 -9.064 1.00 . A A . 1 ALA HA 1 1 10 11006 1 1 1 ALA HB1 H 8.212 6.521 -11.060 1.00 . A A . 1 ALA HB1 1 1 10 11007 1 1 1 ALA HB2 H 9.672 6.936 -10.143 1.00 . A A . 1 ALA HB2 1 1 10 11008 1 1 1 ALA HB3 H 9.806 5.997 -11.646 1.00 . A A . 1 ALA HB3 1 1 10 11009 1 1 1 ALA N N 10.379 4.369 -9.517 1.00 . A A . 1 ALA N 1 1 10 11010 1 1 1 ALA O O 8.152 3.887 -11.961 1.00 . A A . 1 ALA O 1 1 10 11011 1 1 2 ASP C C 7.536 0.399 -9.489 1.00 . A A . 2 ASP C 1 1 10 11012 1 1 2 ASP CA C 8.033 1.334 -10.587 1.00 . A A . 2 ASP CA 1 1 10 11013 1 1 2 ASP CB C 9.437 0.961 -11.094 1.00 . A A . 2 ASP CB 1 1 10 11014 1 1 2 ASP CG C 10.544 1.668 -10.326 1.00 . A A . 2 ASP CG 1 1 10 11015 1 1 2 ASP H H 8.161 2.715 -9.057 1.00 . A A . 2 ASP H 1 1 10 11016 1 1 2 ASP HA H 7.354 1.245 -11.429 1.00 . A A . 2 ASP HA 1 1 10 11017 1 1 2 ASP HB2 H 9.578 -0.119 -11.066 1.00 . A A . 2 ASP HB2 1 1 10 11018 1 1 2 ASP HB3 H 9.483 1.285 -12.135 1.00 . A A . 2 ASP HB3 1 1 10 11019 1 1 2 ASP N N 8.018 2.688 -10.055 1.00 . A A . 2 ASP N 1 1 10 11020 1 1 2 ASP O O 6.368 0.015 -9.521 1.00 . A A . 2 ASP O 1 1 10 11021 1 1 2 ASP OD1 O 10.410 1.754 -9.084 1.00 . A A . 2 ASP OD1 1 1 10 11022 1 1 2 ASP OD2 O 11.304 2.436 -10.955 1.00 . A A . 2 ASP OD2 1 1 10 11023 1 1 3 VAL C C 8.914 -0.554 -6.191 1.00 . A A . 3 VAL C 1 1 10 11024 1 1 3 VAL CA C 8.069 -0.864 -7.426 1.00 . A A . 3 VAL CA 1 1 10 11025 1 1 3 VAL CB C 8.248 -2.307 -7.942 1.00 . A A . 3 VAL CB 1 1 10 11026 1 1 3 VAL CG1 C 9.675 -2.585 -8.432 1.00 . A A . 3 VAL CG1 1 1 10 11027 1 1 3 VAL CG2 C 7.861 -3.353 -6.889 1.00 . A A . 3 VAL CG2 1 1 10 11028 1 1 3 VAL H H 9.299 0.523 -8.496 1.00 . A A . 3 VAL H 1 1 10 11029 1 1 3 VAL HA H 7.034 -0.745 -7.123 1.00 . A A . 3 VAL HA 1 1 10 11030 1 1 3 VAL HB H 7.573 -2.444 -8.789 1.00 . A A . 3 VAL HB 1 1 10 11031 1 1 3 VAL HG11 H 9.729 -3.599 -8.830 1.00 . A A . 3 VAL HG11 1 1 10 11032 1 1 3 VAL HG12 H 9.950 -1.890 -9.225 1.00 . A A . 3 VAL HG12 1 1 10 11033 1 1 3 VAL HG13 H 10.386 -2.491 -7.612 1.00 . A A . 3 VAL HG13 1 1 10 11034 1 1 3 VAL HG21 H 6.854 -3.163 -6.521 1.00 . A A . 3 VAL HG21 1 1 10 11035 1 1 3 VAL HG22 H 7.879 -4.347 -7.338 1.00 . A A . 3 VAL HG22 1 1 10 11036 1 1 3 VAL HG23 H 8.559 -3.339 -6.052 1.00 . A A . 3 VAL HG23 1 1 10 11037 1 1 3 VAL N N 8.371 0.087 -8.494 1.00 . A A . 3 VAL N 1 1 10 11038 1 1 3 VAL O O 10.043 -0.086 -6.322 1.00 . A A . 3 VAL O 1 1 10 11039 1 1 4 VAL C C 8.845 -2.012 -2.994 1.00 . A A . 4 VAL C 1 1 10 11040 1 1 4 VAL CA C 9.081 -0.700 -3.733 1.00 . A A . 4 VAL CA 1 1 10 11041 1 1 4 VAL CB C 8.574 0.515 -2.934 1.00 . A A . 4 VAL CB 1 1 10 11042 1 1 4 VAL CG1 C 9.181 0.600 -1.524 1.00 . A A . 4 VAL CG1 1 1 10 11043 1 1 4 VAL CG2 C 8.909 1.816 -3.667 1.00 . A A . 4 VAL CG2 1 1 10 11044 1 1 4 VAL H H 7.431 -1.193 -4.921 1.00 . A A . 4 VAL H 1 1 10 11045 1 1 4 VAL HA H 10.152 -0.581 -3.874 1.00 . A A . 4 VAL HA 1 1 10 11046 1 1 4 VAL HB H 7.491 0.440 -2.862 1.00 . A A . 4 VAL HB 1 1 10 11047 1 1 4 VAL HG11 H 8.820 -0.211 -0.892 1.00 . A A . 4 VAL HG11 1 1 10 11048 1 1 4 VAL HG12 H 10.269 0.548 -1.578 1.00 . A A . 4 VAL HG12 1 1 10 11049 1 1 4 VAL HG13 H 8.901 1.540 -1.051 1.00 . A A . 4 VAL HG13 1 1 10 11050 1 1 4 VAL HG21 H 9.989 1.908 -3.771 1.00 . A A . 4 VAL HG21 1 1 10 11051 1 1 4 VAL HG22 H 8.446 1.821 -4.651 1.00 . A A . 4 VAL HG22 1 1 10 11052 1 1 4 VAL HG23 H 8.526 2.660 -3.094 1.00 . A A . 4 VAL HG23 1 1 10 11053 1 1 4 VAL N N 8.368 -0.796 -4.995 1.00 . A A . 4 VAL N 1 1 10 11054 1 1 4 VAL O O 7.923 -2.766 -3.320 1.00 . A A . 4 VAL O 1 1 10 11055 1 1 5 THR C C 9.634 -2.464 0.432 1.00 . A A . 5 THR C 1 1 10 11056 1 1 5 THR CA C 9.241 -3.118 -0.884 1.00 . A A . 5 THR CA 1 1 10 11057 1 1 5 THR CB C 9.830 -4.527 -1.043 1.00 . A A . 5 THR CB 1 1 10 11058 1 1 5 THR CG2 C 11.361 -4.558 -1.012 1.00 . A A . 5 THR CG2 1 1 10 11059 1 1 5 THR H H 10.421 -1.646 -1.756 1.00 . A A . 5 THR H 1 1 10 11060 1 1 5 THR HA H 8.150 -3.116 -0.896 1.00 . A A . 5 THR HA 1 1 10 11061 1 1 5 THR HB H 9.501 -4.930 -2.000 1.00 . A A . 5 THR HB 1 1 10 11062 1 1 5 THR HG1 H 8.478 -4.997 0.235 1.00 . A A . 5 THR HG1 1 1 10 11063 1 1 5 THR HG21 H 11.771 -3.933 -1.806 1.00 . A A . 5 THR HG21 1 1 10 11064 1 1 5 THR HG22 H 11.733 -4.204 -0.049 1.00 . A A . 5 THR HG22 1 1 10 11065 1 1 5 THR HG23 H 11.703 -5.583 -1.159 1.00 . A A . 5 THR HG23 1 1 10 11066 1 1 5 THR N N 9.660 -2.275 -1.974 1.00 . A A . 5 THR N 1 1 10 11067 1 1 5 THR O O 10.647 -1.768 0.492 1.00 . A A . 5 THR O 1 1 10 11068 1 1 5 THR OG1 O 9.343 -5.343 -0.005 1.00 . A A . 5 THR OG1 1 1 10 11069 1 1 6 TYR C C 10.173 -3.119 3.446 1.00 . A A . 6 TYR C 1 1 10 11070 1 1 6 TYR CA C 9.130 -2.211 2.804 1.00 . A A . 6 TYR CA 1 1 10 11071 1 1 6 TYR CB C 7.882 -2.127 3.680 1.00 . A A . 6 TYR CB 1 1 10 11072 1 1 6 TYR CD1 C 7.220 0.282 3.230 1.00 . A A . 6 TYR CD1 1 1 10 11073 1 1 6 TYR CD2 C 5.637 -1.494 2.740 1.00 . A A . 6 TYR CD2 1 1 10 11074 1 1 6 TYR CE1 C 6.332 1.221 2.681 1.00 . A A . 6 TYR CE1 1 1 10 11075 1 1 6 TYR CE2 C 4.725 -0.553 2.247 1.00 . A A . 6 TYR CE2 1 1 10 11076 1 1 6 TYR CG C 6.879 -1.083 3.239 1.00 . A A . 6 TYR CG 1 1 10 11077 1 1 6 TYR CZ C 5.072 0.804 2.220 1.00 . A A . 6 TYR CZ 1 1 10 11078 1 1 6 TYR H H 7.977 -3.228 1.300 1.00 . A A . 6 TYR H 1 1 10 11079 1 1 6 TYR HA H 9.533 -1.207 2.734 1.00 . A A . 6 TYR HA 1 1 10 11080 1 1 6 TYR HB2 H 7.416 -3.110 3.689 1.00 . A A . 6 TYR HB2 1 1 10 11081 1 1 6 TYR HB3 H 8.184 -1.890 4.701 1.00 . A A . 6 TYR HB3 1 1 10 11082 1 1 6 TYR HD1 H 8.198 0.600 3.563 1.00 . A A . 6 TYR HD1 1 1 10 11083 1 1 6 TYR HD2 H 5.410 -2.538 2.665 1.00 . A A . 6 TYR HD2 1 1 10 11084 1 1 6 TYR HE1 H 6.675 2.225 2.484 1.00 . A A . 6 TYR HE1 1 1 10 11085 1 1 6 TYR HE2 H 3.829 -0.899 1.759 1.00 . A A . 6 TYR HE2 1 1 10 11086 1 1 6 TYR HH H 3.867 1.215 0.780 1.00 . A A . 6 TYR HH 1 1 10 11087 1 1 6 TYR N N 8.809 -2.669 1.460 1.00 . A A . 6 TYR N 1 1 10 11088 1 1 6 TYR O O 11.129 -2.621 4.035 1.00 . A A . 6 TYR O 1 1 10 11089 1 1 6 TYR OH O 4.295 1.665 1.512 1.00 . A A . 6 TYR OH 1 1 10 11090 1 1 7 GLU C C 10.136 -5.510 5.505 1.00 . A A . 7 GLU C 1 1 10 11091 1 1 7 GLU CA C 10.662 -5.486 4.065 1.00 . A A . 7 GLU CA 1 1 10 11092 1 1 7 GLU CB C 12.178 -5.298 3.982 1.00 . A A . 7 GLU CB 1 1 10 11093 1 1 7 GLU CD C 13.050 -7.120 5.567 1.00 . A A . 7 GLU CD 1 1 10 11094 1 1 7 GLU CG C 13.080 -6.527 4.166 1.00 . A A . 7 GLU CG 1 1 10 11095 1 1 7 GLU H H 9.154 -4.716 2.793 1.00 . A A . 7 GLU H 1 1 10 11096 1 1 7 GLU HA H 10.423 -6.421 3.570 1.00 . A A . 7 GLU HA 1 1 10 11097 1 1 7 GLU HB2 H 12.390 -4.904 2.991 1.00 . A A . 7 GLU HB2 1 1 10 11098 1 1 7 GLU HB3 H 12.438 -4.576 4.743 1.00 . A A . 7 GLU HB3 1 1 10 11099 1 1 7 GLU HG2 H 12.821 -7.285 3.431 1.00 . A A . 7 GLU HG2 1 1 10 11100 1 1 7 GLU HG3 H 14.106 -6.217 3.973 1.00 . A A . 7 GLU HG3 1 1 10 11101 1 1 7 GLU N N 9.963 -4.438 3.323 1.00 . A A . 7 GLU N 1 1 10 11102 1 1 7 GLU O O 9.786 -4.472 6.062 1.00 . A A . 7 GLU O 1 1 10 11103 1 1 7 GLU OE1 O 13.632 -6.494 6.476 1.00 . A A . 7 GLU OE1 1 1 10 11104 1 1 7 GLU OE2 O 12.436 -8.199 5.704 1.00 . A A . 7 GLU OE2 1 1 10 11105 1 1 8 ASN C C 9.547 -8.459 7.689 1.00 . A A . 8 ASN C 1 1 10 11106 1 1 8 ASN CA C 9.458 -6.965 7.396 1.00 . A A . 8 ASN CA 1 1 10 11107 1 1 8 ASN CB C 7.996 -6.515 7.468 1.00 . A A . 8 ASN CB 1 1 10 11108 1 1 8 ASN CG C 7.114 -7.375 6.571 1.00 . A A . 8 ASN CG 1 1 10 11109 1 1 8 ASN H H 10.518 -7.480 5.631 1.00 . A A . 8 ASN H 1 1 10 11110 1 1 8 ASN HA H 10.037 -6.417 8.140 1.00 . A A . 8 ASN HA 1 1 10 11111 1 1 8 ASN HB2 H 7.650 -6.634 8.489 1.00 . A A . 8 ASN HB2 1 1 10 11112 1 1 8 ASN HB3 H 7.915 -5.463 7.217 1.00 . A A . 8 ASN HB3 1 1 10 11113 1 1 8 ASN HD21 H 6.743 -5.884 5.280 1.00 . A A . 8 ASN HD21 1 1 10 11114 1 1 8 ASN HD22 H 6.304 -7.510 4.724 1.00 . A A . 8 ASN HD22 1 1 10 11115 1 1 8 ASN N N 10.038 -6.706 6.082 1.00 . A A . 8 ASN N 1 1 10 11116 1 1 8 ASN ND2 N 6.798 -6.911 5.370 1.00 . A A . 8 ASN ND2 1 1 10 11117 1 1 8 ASN O O 9.803 -9.255 6.785 1.00 . A A . 8 ASN O 1 1 10 11118 1 1 8 ASN OD1 O 6.755 -8.493 6.940 1.00 . A A . 8 ASN OD1 1 1 10 11119 1 1 9 LYS C C 8.360 -11.128 9.212 1.00 . A A . 9 LYS C 1 1 10 11120 1 1 9 LYS CA C 9.570 -10.208 9.404 1.00 . A A . 9 LYS CA 1 1 10 11121 1 1 9 LYS CB C 10.044 -10.134 10.867 1.00 . A A . 9 LYS CB 1 1 10 11122 1 1 9 LYS CD C 11.790 -12.032 10.610 1.00 . A A . 9 LYS CD 1 1 10 11123 1 1 9 LYS CE C 12.934 -11.025 10.396 1.00 . A A . 9 LYS CE 1 1 10 11124 1 1 9 LYS CG C 10.638 -11.435 11.436 1.00 . A A . 9 LYS CG 1 1 10 11125 1 1 9 LYS H H 8.823 -8.225 9.600 1.00 . A A . 9 LYS H 1 1 10 11126 1 1 9 LYS HA H 10.384 -10.604 8.798 1.00 . A A . 9 LYS HA 1 1 10 11127 1 1 9 LYS HB2 H 10.793 -9.347 10.954 1.00 . A A . 9 LYS HB2 1 1 10 11128 1 1 9 LYS HB3 H 9.205 -9.838 11.494 1.00 . A A . 9 LYS HB3 1 1 10 11129 1 1 9 LYS HD2 H 12.164 -12.902 11.155 1.00 . A A . 9 LYS HD2 1 1 10 11130 1 1 9 LYS HD3 H 11.400 -12.385 9.654 1.00 . A A . 9 LYS HD3 1 1 10 11131 1 1 9 LYS HE2 H 12.568 -10.151 9.852 1.00 . A A . 9 LYS HE2 1 1 10 11132 1 1 9 LYS HE3 H 13.309 -10.697 11.367 1.00 . A A . 9 LYS HE3 1 1 10 11133 1 1 9 LYS HG2 H 10.999 -11.224 12.445 1.00 . A A . 9 LYS HG2 1 1 10 11134 1 1 9 LYS HG3 H 9.851 -12.185 11.524 1.00 . A A . 9 LYS HG3 1 1 10 11135 1 1 9 LYS HZ1 H 14.430 -12.408 10.075 1.00 . A A . 9 LYS HZ1 1 1 10 11136 1 1 9 LYS HZ2 H 13.724 -11.857 8.689 1.00 . A A . 9 LYS HZ2 1 1 10 11137 1 1 9 LYS HZ3 H 14.776 -10.903 9.507 1.00 . A A . 9 LYS HZ3 1 1 10 11138 1 1 9 LYS N N 9.294 -8.856 8.943 1.00 . A A . 9 LYS N 1 1 10 11139 1 1 9 LYS NZ N 14.048 -11.597 9.611 1.00 . A A . 9 LYS NZ 1 1 10 11140 1 1 9 LYS O O 8.465 -12.333 9.438 1.00 . A A . 9 LYS O 1 1 10 11141 1 1 10 LYS C C 6.289 -12.052 7.109 1.00 . A A . 10 LYS C 1 1 10 11142 1 1 10 LYS CA C 6.052 -11.422 8.479 1.00 . A A . 10 LYS CA 1 1 10 11143 1 1 10 LYS CB C 4.756 -10.599 8.465 1.00 . A A . 10 LYS CB 1 1 10 11144 1 1 10 LYS CD C 4.271 -10.282 10.983 1.00 . A A . 10 LYS CD 1 1 10 11145 1 1 10 LYS CE C 5.444 -10.904 11.763 1.00 . A A . 10 LYS CE 1 1 10 11146 1 1 10 LYS CG C 4.568 -9.618 9.628 1.00 . A A . 10 LYS CG 1 1 10 11147 1 1 10 LYS H H 7.169 -9.608 8.571 1.00 . A A . 10 LYS H 1 1 10 11148 1 1 10 LYS HA H 5.942 -12.236 9.190 1.00 . A A . 10 LYS HA 1 1 10 11149 1 1 10 LYS HB2 H 4.741 -10.001 7.556 1.00 . A A . 10 LYS HB2 1 1 10 11150 1 1 10 LYS HB3 H 3.903 -11.277 8.419 1.00 . A A . 10 LYS HB3 1 1 10 11151 1 1 10 LYS HD2 H 3.830 -9.519 11.617 1.00 . A A . 10 LYS HD2 1 1 10 11152 1 1 10 LYS HD3 H 3.509 -11.047 10.828 1.00 . A A . 10 LYS HD3 1 1 10 11153 1 1 10 LYS HE2 H 5.040 -11.265 12.709 1.00 . A A . 10 LYS HE2 1 1 10 11154 1 1 10 LYS HE3 H 5.863 -11.754 11.237 1.00 . A A . 10 LYS HE3 1 1 10 11155 1 1 10 LYS HG2 H 5.403 -8.929 9.677 1.00 . A A . 10 LYS HG2 1 1 10 11156 1 1 10 LYS HG3 H 3.704 -9.000 9.371 1.00 . A A . 10 LYS HG3 1 1 10 11157 1 1 10 LYS HZ1 H 6.935 -9.504 11.246 1.00 . A A . 10 LYS HZ1 1 1 10 11158 1 1 10 LYS HZ2 H 6.179 -9.121 12.561 1.00 . A A . 10 LYS HZ2 1 1 10 11159 1 1 10 LYS HZ3 H 7.266 -10.352 12.623 1.00 . A A . 10 LYS HZ3 1 1 10 11160 1 1 10 LYS N N 7.199 -10.593 8.822 1.00 . A A . 10 LYS N 1 1 10 11161 1 1 10 LYS NZ N 6.527 -9.949 12.072 1.00 . A A . 10 LYS NZ 1 1 10 11162 1 1 10 LYS O O 6.123 -13.261 6.948 1.00 . A A . 10 LYS O 1 1 10 11163 1 1 11 GLY C C 6.852 -10.068 4.091 1.00 . A A . 11 GLY C 1 1 10 11164 1 1 11 GLY CA C 6.744 -11.447 4.734 1.00 . A A . 11 GLY CA 1 1 10 11165 1 1 11 GLY H H 6.759 -10.228 6.431 1.00 . A A . 11 GLY H 1 1 10 11166 1 1 11 GLY HA2 H 7.617 -12.063 4.516 1.00 . A A . 11 GLY HA2 1 1 10 11167 1 1 11 GLY HA3 H 5.842 -11.947 4.379 1.00 . A A . 11 GLY HA3 1 1 10 11168 1 1 11 GLY N N 6.643 -11.197 6.155 1.00 . A A . 11 GLY N 1 1 10 11169 1 1 11 GLY O O 5.944 -9.250 4.267 1.00 . A A . 11 GLY O 1 1 10 11170 1 1 12 ASN C C 7.135 -8.053 1.960 1.00 . A A . 12 ASN C 1 1 10 11171 1 1 12 ASN CA C 8.324 -8.515 2.794 1.00 . A A . 12 ASN CA 1 1 10 11172 1 1 12 ASN CB C 9.522 -8.708 1.863 1.00 . A A . 12 ASN CB 1 1 10 11173 1 1 12 ASN CG C 10.831 -9.019 2.585 1.00 . A A . 12 ASN CG 1 1 10 11174 1 1 12 ASN H H 8.659 -10.537 3.356 1.00 . A A . 12 ASN H 1 1 10 11175 1 1 12 ASN HA H 8.631 -7.733 3.511 1.00 . A A . 12 ASN HA 1 1 10 11176 1 1 12 ASN HB2 H 9.278 -9.492 1.154 1.00 . A A . 12 ASN HB2 1 1 10 11177 1 1 12 ASN HB3 H 9.676 -7.786 1.300 1.00 . A A . 12 ASN HB3 1 1 10 11178 1 1 12 ASN HD21 H 9.933 -9.093 4.434 1.00 . A A . 12 ASN HD21 1 1 10 11179 1 1 12 ASN HD22 H 11.660 -9.062 4.458 1.00 . A A . 12 ASN HD22 1 1 10 11180 1 1 12 ASN N N 7.988 -9.787 3.442 1.00 . A A . 12 ASN N 1 1 10 11181 1 1 12 ASN ND2 N 10.793 -9.140 3.911 1.00 . A A . 12 ASN ND2 1 1 10 11182 1 1 12 ASN O O 6.710 -8.743 1.035 1.00 . A A . 12 ASN O 1 1 10 11183 1 1 12 ASN OD1 O 11.874 -9.124 1.949 1.00 . A A . 12 ASN OD1 1 1 10 11184 1 1 13 VAL C C 6.159 -5.605 0.325 1.00 . A A . 13 VAL C 1 1 10 11185 1 1 13 VAL CA C 5.525 -6.283 1.528 1.00 . A A . 13 VAL CA 1 1 10 11186 1 1 13 VAL CB C 4.734 -5.296 2.391 1.00 . A A . 13 VAL CB 1 1 10 11187 1 1 13 VAL CG1 C 3.806 -4.437 1.524 1.00 . A A . 13 VAL CG1 1 1 10 11188 1 1 13 VAL CG2 C 3.899 -6.040 3.433 1.00 . A A . 13 VAL CG2 1 1 10 11189 1 1 13 VAL H H 7.038 -6.349 3.027 1.00 . A A . 13 VAL H 1 1 10 11190 1 1 13 VAL HA H 4.831 -7.052 1.185 1.00 . A A . 13 VAL HA 1 1 10 11191 1 1 13 VAL HB H 5.438 -4.658 2.920 1.00 . A A . 13 VAL HB 1 1 10 11192 1 1 13 VAL HG11 H 3.101 -3.909 2.158 1.00 . A A . 13 VAL HG11 1 1 10 11193 1 1 13 VAL HG12 H 4.381 -3.700 0.962 1.00 . A A . 13 VAL HG12 1 1 10 11194 1 1 13 VAL HG13 H 3.253 -5.070 0.830 1.00 . A A . 13 VAL HG13 1 1 10 11195 1 1 13 VAL HG21 H 3.117 -6.624 2.951 1.00 . A A . 13 VAL HG21 1 1 10 11196 1 1 13 VAL HG22 H 4.541 -6.701 4.001 1.00 . A A . 13 VAL HG22 1 1 10 11197 1 1 13 VAL HG23 H 3.447 -5.324 4.118 1.00 . A A . 13 VAL HG23 1 1 10 11198 1 1 13 VAL N N 6.602 -6.882 2.291 1.00 . A A . 13 VAL N 1 1 10 11199 1 1 13 VAL O O 6.754 -4.531 0.464 1.00 . A A . 13 VAL O 1 1 10 11200 1 1 14 THR C C 5.072 -4.810 -2.515 1.00 . A A . 14 THR C 1 1 10 11201 1 1 14 THR CA C 6.318 -5.601 -2.117 1.00 . A A . 14 THR CA 1 1 10 11202 1 1 14 THR CB C 6.735 -6.649 -3.163 1.00 . A A . 14 THR CB 1 1 10 11203 1 1 14 THR CG2 C 5.620 -7.645 -3.508 1.00 . A A . 14 THR CG2 1 1 10 11204 1 1 14 THR H H 5.572 -7.129 -0.847 1.00 . A A . 14 THR H 1 1 10 11205 1 1 14 THR HA H 7.147 -4.908 -1.999 1.00 . A A . 14 THR HA 1 1 10 11206 1 1 14 THR HB H 7.582 -7.210 -2.766 1.00 . A A . 14 THR HB 1 1 10 11207 1 1 14 THR HG1 H 7.820 -5.344 -4.143 1.00 . A A . 14 THR HG1 1 1 10 11208 1 1 14 THR HG21 H 4.773 -7.130 -3.964 1.00 . A A . 14 THR HG21 1 1 10 11209 1 1 14 THR HG22 H 6.000 -8.378 -4.220 1.00 . A A . 14 THR HG22 1 1 10 11210 1 1 14 THR HG23 H 5.280 -8.173 -2.618 1.00 . A A . 14 THR HG23 1 1 10 11211 1 1 14 THR N N 6.056 -6.242 -0.840 1.00 . A A . 14 THR N 1 1 10 11212 1 1 14 THR O O 3.959 -5.172 -2.132 1.00 . A A . 14 THR O 1 1 10 11213 1 1 14 THR OG1 O 7.156 -6.008 -4.351 1.00 . A A . 14 THR OG1 1 1 10 11214 1 1 15 PHE C C 4.581 -2.174 -5.016 1.00 . A A . 15 PHE C 1 1 10 11215 1 1 15 PHE CA C 4.137 -2.941 -3.774 1.00 . A A . 15 PHE CA 1 1 10 11216 1 1 15 PHE CB C 3.526 -2.030 -2.700 1.00 . A A . 15 PHE CB 1 1 10 11217 1 1 15 PHE CD1 C 5.394 -1.390 -1.130 1.00 . A A . 15 PHE CD1 1 1 10 11218 1 1 15 PHE CD2 C 4.280 0.368 -2.400 1.00 . A A . 15 PHE CD2 1 1 10 11219 1 1 15 PHE CE1 C 6.181 -0.426 -0.490 1.00 . A A . 15 PHE CE1 1 1 10 11220 1 1 15 PHE CE2 C 5.043 1.336 -1.728 1.00 . A A . 15 PHE CE2 1 1 10 11221 1 1 15 PHE CG C 4.447 -0.996 -2.091 1.00 . A A . 15 PHE CG 1 1 10 11222 1 1 15 PHE CZ C 5.991 0.935 -0.773 1.00 . A A . 15 PHE CZ 1 1 10 11223 1 1 15 PHE H H 6.187 -3.397 -3.483 1.00 . A A . 15 PHE H 1 1 10 11224 1 1 15 PHE HA H 3.356 -3.642 -4.076 1.00 . A A . 15 PHE HA 1 1 10 11225 1 1 15 PHE HB2 H 2.664 -1.519 -3.123 1.00 . A A . 15 PHE HB2 1 1 10 11226 1 1 15 PHE HB3 H 3.166 -2.655 -1.889 1.00 . A A . 15 PHE HB3 1 1 10 11227 1 1 15 PHE HD1 H 5.510 -2.430 -0.863 1.00 . A A . 15 PHE HD1 1 1 10 11228 1 1 15 PHE HD2 H 3.569 0.677 -3.153 1.00 . A A . 15 PHE HD2 1 1 10 11229 1 1 15 PHE HE1 H 6.878 -0.720 0.279 1.00 . A A . 15 PHE HE1 1 1 10 11230 1 1 15 PHE HE2 H 4.908 2.386 -1.943 1.00 . A A . 15 PHE HE2 1 1 10 11231 1 1 15 PHE HZ H 6.550 1.665 -0.216 1.00 . A A . 15 PHE HZ 1 1 10 11232 1 1 15 PHE N N 5.248 -3.708 -3.247 1.00 . A A . 15 PHE N 1 1 10 11233 1 1 15 PHE O O 5.516 -1.370 -4.975 1.00 . A A . 15 PHE O 1 1 10 11234 1 1 16 ASP C C 3.717 -0.296 -7.222 1.00 . A A . 16 ASP C 1 1 10 11235 1 1 16 ASP CA C 4.088 -1.765 -7.392 1.00 . A A . 16 ASP CA 1 1 10 11236 1 1 16 ASP CB C 3.193 -2.410 -8.445 1.00 . A A . 16 ASP CB 1 1 10 11237 1 1 16 ASP CG C 3.533 -3.870 -8.670 1.00 . A A . 16 ASP CG 1 1 10 11238 1 1 16 ASP H H 3.310 -3.274 -6.166 1.00 . A A . 16 ASP H 1 1 10 11239 1 1 16 ASP HA H 5.122 -1.870 -7.720 1.00 . A A . 16 ASP HA 1 1 10 11240 1 1 16 ASP HB2 H 2.157 -2.362 -8.111 1.00 . A A . 16 ASP HB2 1 1 10 11241 1 1 16 ASP HB3 H 3.318 -1.871 -9.383 1.00 . A A . 16 ASP HB3 1 1 10 11242 1 1 16 ASP N N 3.912 -2.454 -6.131 1.00 . A A . 16 ASP N 1 1 10 11243 1 1 16 ASP O O 2.579 0.031 -6.899 1.00 . A A . 16 ASP O 1 1 10 11244 1 1 16 ASP OD1 O 3.330 -4.632 -7.699 1.00 . A A . 16 ASP OD1 1 1 10 11245 1 1 16 ASP OD2 O 3.990 -4.181 -9.791 1.00 . A A . 16 ASP OD2 1 1 10 11246 1 1 17 HIS C C 3.720 2.412 -8.693 1.00 . A A . 17 HIS C 1 1 10 11247 1 1 17 HIS CA C 4.479 2.025 -7.429 1.00 . A A . 17 HIS CA 1 1 10 11248 1 1 17 HIS CB C 5.866 2.687 -7.394 1.00 . A A . 17 HIS CB 1 1 10 11249 1 1 17 HIS CD2 C 5.042 4.865 -6.307 1.00 . A A . 17 HIS CD2 1 1 10 11250 1 1 17 HIS CE1 C 6.792 5.306 -5.066 1.00 . A A . 17 HIS CE1 1 1 10 11251 1 1 17 HIS CG C 5.981 3.887 -6.507 1.00 . A A . 17 HIS CG 1 1 10 11252 1 1 17 HIS H H 5.514 0.243 -7.905 1.00 . A A . 17 HIS H 1 1 10 11253 1 1 17 HIS HA H 3.905 2.286 -6.538 1.00 . A A . 17 HIS HA 1 1 10 11254 1 1 17 HIS HB2 H 6.607 1.967 -7.044 1.00 . A A . 17 HIS HB2 1 1 10 11255 1 1 17 HIS HB3 H 6.156 3.015 -8.388 1.00 . A A . 17 HIS HB3 1 1 10 11256 1 1 17 HIS HD1 H 7.917 3.633 -5.640 1.00 . A A . 17 HIS HD1 1 1 10 11257 1 1 17 HIS HD2 H 4.068 4.923 -6.761 1.00 . A A . 17 HIS HD2 1 1 10 11258 1 1 17 HIS HE1 H 7.459 5.755 -4.357 1.00 . A A . 17 HIS HE1 1 1 10 11259 1 1 17 HIS N N 4.670 0.591 -7.473 1.00 . A A . 17 HIS N 1 1 10 11260 1 1 17 HIS ND1 N 7.075 4.181 -5.733 1.00 . A A . 17 HIS ND1 1 1 10 11261 1 1 17 HIS NE2 N 5.563 5.757 -5.367 1.00 . A A . 17 HIS NE2 1 1 10 11262 1 1 17 HIS O O 2.629 2.980 -8.648 1.00 . A A . 17 HIS O 1 1 10 11263 1 1 18 LYS C C 2.435 1.879 -11.323 1.00 . A A . 18 LYS C 1 1 10 11264 1 1 18 LYS CA C 3.847 2.413 -11.150 1.00 . A A . 18 LYS CA 1 1 10 11265 1 1 18 LYS CB C 4.833 1.900 -12.203 1.00 . A A . 18 LYS CB 1 1 10 11266 1 1 18 LYS CD C 5.493 1.959 -14.588 1.00 . A A . 18 LYS CD 1 1 10 11267 1 1 18 LYS CE C 5.084 1.778 -16.059 1.00 . A A . 18 LYS CE 1 1 10 11268 1 1 18 LYS CG C 4.297 2.036 -13.632 1.00 . A A . 18 LYS CG 1 1 10 11269 1 1 18 LYS H H 5.169 1.513 -9.766 1.00 . A A . 18 LYS H 1 1 10 11270 1 1 18 LYS HA H 3.814 3.502 -11.225 1.00 . A A . 18 LYS HA 1 1 10 11271 1 1 18 LYS HB2 H 5.740 2.502 -12.115 1.00 . A A . 18 LYS HB2 1 1 10 11272 1 1 18 LYS HB3 H 5.089 0.856 -12.015 1.00 . A A . 18 LYS HB3 1 1 10 11273 1 1 18 LYS HD2 H 6.100 2.860 -14.462 1.00 . A A . 18 LYS HD2 1 1 10 11274 1 1 18 LYS HD3 H 6.108 1.106 -14.291 1.00 . A A . 18 LYS HD3 1 1 10 11275 1 1 18 LYS HE2 H 5.965 1.919 -16.686 1.00 . A A . 18 LYS HE2 1 1 10 11276 1 1 18 LYS HE3 H 4.717 0.760 -16.203 1.00 . A A . 18 LYS HE3 1 1 10 11277 1 1 18 LYS HG2 H 3.591 1.226 -13.836 1.00 . A A . 18 LYS HG2 1 1 10 11278 1 1 18 LYS HG3 H 3.785 2.994 -13.732 1.00 . A A . 18 LYS HG3 1 1 10 11279 1 1 18 LYS HZ1 H 3.853 2.627 -17.474 1.00 . A A . 18 LYS HZ1 1 1 10 11280 1 1 18 LYS HZ2 H 3.140 2.443 -16.041 1.00 . A A . 18 LYS HZ2 1 1 10 11281 1 1 18 LYS HZ3 H 4.237 3.666 -16.250 1.00 . A A . 18 LYS HZ3 1 1 10 11282 1 1 18 LYS N N 4.327 2.069 -9.833 1.00 . A A . 18 LYS N 1 1 10 11283 1 1 18 LYS NZ N 4.020 2.710 -16.484 1.00 . A A . 18 LYS NZ 1 1 10 11284 1 1 18 LYS O O 1.529 2.664 -11.548 1.00 . A A . 18 LYS O 1 1 10 11285 1 1 19 ALA C C -0.174 0.760 -10.594 1.00 . A A . 19 ALA C 1 1 10 11286 1 1 19 ALA CA C 0.912 -0.041 -11.318 1.00 . A A . 19 ALA CA 1 1 10 11287 1 1 19 ALA CB C 0.935 -1.441 -10.732 1.00 . A A . 19 ALA CB 1 1 10 11288 1 1 19 ALA H H 3.038 -0.020 -11.032 1.00 . A A . 19 ALA H 1 1 10 11289 1 1 19 ALA HA H 0.668 -0.114 -12.378 1.00 . A A . 19 ALA HA 1 1 10 11290 1 1 19 ALA HB1 H 1.082 -1.322 -9.663 1.00 . A A . 19 ALA HB1 1 1 10 11291 1 1 19 ALA HB2 H -0.025 -1.925 -10.905 1.00 . A A . 19 ALA HB2 1 1 10 11292 1 1 19 ALA HB3 H 1.738 -2.031 -11.172 1.00 . A A . 19 ALA HB3 1 1 10 11293 1 1 19 ALA N N 2.234 0.569 -11.193 1.00 . A A . 19 ALA N 1 1 10 11294 1 1 19 ALA O O -1.125 1.220 -11.220 1.00 . A A . 19 ALA O 1 1 10 11295 1 1 20 HIS C C -1.130 3.085 -9.124 1.00 . A A . 20 HIS C 1 1 10 11296 1 1 20 HIS CA C -0.998 1.690 -8.500 1.00 . A A . 20 HIS CA 1 1 10 11297 1 1 20 HIS CB C -0.554 1.765 -7.025 1.00 . A A . 20 HIS CB 1 1 10 11298 1 1 20 HIS CD2 C -1.820 0.298 -5.301 1.00 . A A . 20 HIS CD2 1 1 10 11299 1 1 20 HIS CE1 C -0.453 -1.395 -5.176 1.00 . A A . 20 HIS CE1 1 1 10 11300 1 1 20 HIS CG C -0.799 0.518 -6.194 1.00 . A A . 20 HIS CG 1 1 10 11301 1 1 20 HIS H H 0.822 0.632 -8.823 1.00 . A A . 20 HIS H 1 1 10 11302 1 1 20 HIS HA H -1.968 1.190 -8.574 1.00 . A A . 20 HIS HA 1 1 10 11303 1 1 20 HIS HB2 H 0.508 2.013 -6.981 1.00 . A A . 20 HIS HB2 1 1 10 11304 1 1 20 HIS HB3 H -1.087 2.579 -6.550 1.00 . A A . 20 HIS HB3 1 1 10 11305 1 1 20 HIS HD1 H 0.952 -0.645 -6.554 1.00 . A A . 20 HIS HD1 1 1 10 11306 1 1 20 HIS HD2 H -2.631 0.969 -5.086 1.00 . A A . 20 HIS HD2 1 1 10 11307 1 1 20 HIS HE1 H 0.009 -2.328 -4.900 1.00 . A A . 20 HIS HE1 1 1 10 11308 1 1 20 HIS N N -0.028 0.936 -9.277 1.00 . A A . 20 HIS N 1 1 10 11309 1 1 20 HIS ND1 N 0.060 -0.548 -6.082 1.00 . A A . 20 HIS ND1 1 1 10 11310 1 1 20 HIS NE2 N -1.608 -0.934 -4.668 1.00 . A A . 20 HIS NE2 1 1 10 11311 1 1 20 HIS O O -2.230 3.604 -9.290 1.00 . A A . 20 HIS O 1 1 10 11312 1 1 21 ALA C C -0.876 5.078 -11.387 1.00 . A A . 21 ALA C 1 1 10 11313 1 1 21 ALA CA C -0.016 5.017 -10.113 1.00 . A A . 21 ALA CA 1 1 10 11314 1 1 21 ALA CB C 1.413 5.523 -10.340 1.00 . A A . 21 ALA CB 1 1 10 11315 1 1 21 ALA H H 0.857 3.140 -9.486 1.00 . A A . 21 ALA H 1 1 10 11316 1 1 21 ALA HA H -0.471 5.692 -9.385 1.00 . A A . 21 ALA HA 1 1 10 11317 1 1 21 ALA HB1 H 1.904 4.983 -11.146 1.00 . A A . 21 ALA HB1 1 1 10 11318 1 1 21 ALA HB2 H 1.376 6.579 -10.605 1.00 . A A . 21 ALA HB2 1 1 10 11319 1 1 21 ALA HB3 H 1.999 5.397 -9.429 1.00 . A A . 21 ALA HB3 1 1 10 11320 1 1 21 ALA N N -0.008 3.685 -9.518 1.00 . A A . 21 ALA N 1 1 10 11321 1 1 21 ALA O O -1.802 5.868 -11.462 1.00 . A A . 21 ALA O 1 1 10 11322 1 1 22 GLU C C -2.806 3.868 -13.416 1.00 . A A . 22 GLU C 1 1 10 11323 1 1 22 GLU CA C -1.353 4.256 -13.655 1.00 . A A . 22 GLU CA 1 1 10 11324 1 1 22 GLU CB C -0.743 3.346 -14.746 1.00 . A A . 22 GLU CB 1 1 10 11325 1 1 22 GLU CD C 0.728 1.327 -15.256 1.00 . A A . 22 GLU CD 1 1 10 11326 1 1 22 GLU CG C 0.230 2.300 -14.206 1.00 . A A . 22 GLU CG 1 1 10 11327 1 1 22 GLU H H 0.046 3.516 -12.180 1.00 . A A . 22 GLU H 1 1 10 11328 1 1 22 GLU HA H -1.353 5.278 -14.040 1.00 . A A . 22 GLU HA 1 1 10 11329 1 1 22 GLU HB2 H -1.547 2.824 -15.273 1.00 . A A . 22 GLU HB2 1 1 10 11330 1 1 22 GLU HB3 H -0.209 3.964 -15.469 1.00 . A A . 22 GLU HB3 1 1 10 11331 1 1 22 GLU HG2 H 1.088 2.830 -13.819 1.00 . A A . 22 GLU HG2 1 1 10 11332 1 1 22 GLU HG3 H -0.249 1.734 -13.416 1.00 . A A . 22 GLU HG3 1 1 10 11333 1 1 22 GLU N N -0.614 4.243 -12.388 1.00 . A A . 22 GLU N 1 1 10 11334 1 1 22 GLU O O -3.715 4.523 -13.921 1.00 . A A . 22 GLU O 1 1 10 11335 1 1 22 GLU OE1 O 1.688 1.710 -15.960 1.00 . A A . 22 GLU OE1 1 1 10 11336 1 1 22 GLU OE2 O 0.182 0.201 -15.296 1.00 . A A . 22 GLU OE2 1 1 10 11337 1 1 23 LYS C C -5.224 3.277 -11.737 1.00 . A A . 23 LYS C 1 1 10 11338 1 1 23 LYS CA C -4.363 2.259 -12.486 1.00 . A A . 23 LYS CA 1 1 10 11339 1 1 23 LYS CB C -4.358 0.905 -11.763 1.00 . A A . 23 LYS CB 1 1 10 11340 1 1 23 LYS CD C -2.665 -0.492 -13.087 1.00 . A A . 23 LYS CD 1 1 10 11341 1 1 23 LYS CE C -2.504 -1.630 -14.099 1.00 . A A . 23 LYS CE 1 1 10 11342 1 1 23 LYS CG C -4.132 -0.275 -12.719 1.00 . A A . 23 LYS CG 1 1 10 11343 1 1 23 LYS H H -2.215 2.281 -12.298 1.00 . A A . 23 LYS H 1 1 10 11344 1 1 23 LYS HA H -4.822 2.112 -13.463 1.00 . A A . 23 LYS HA 1 1 10 11345 1 1 23 LYS HB2 H -3.642 0.895 -10.941 1.00 . A A . 23 LYS HB2 1 1 10 11346 1 1 23 LYS HB3 H -5.351 0.764 -11.334 1.00 . A A . 23 LYS HB3 1 1 10 11347 1 1 23 LYS HD2 H -2.238 0.421 -13.501 1.00 . A A . 23 LYS HD2 1 1 10 11348 1 1 23 LYS HD3 H -2.154 -0.762 -12.165 1.00 . A A . 23 LYS HD3 1 1 10 11349 1 1 23 LYS HE2 H -2.989 -2.530 -13.717 1.00 . A A . 23 LYS HE2 1 1 10 11350 1 1 23 LYS HE3 H -2.977 -1.347 -15.040 1.00 . A A . 23 LYS HE3 1 1 10 11351 1 1 23 LYS HG2 H -4.476 -1.172 -12.203 1.00 . A A . 23 LYS HG2 1 1 10 11352 1 1 23 LYS HG3 H -4.722 -0.135 -13.625 1.00 . A A . 23 LYS HG3 1 1 10 11353 1 1 23 LYS HZ1 H -0.978 -2.659 -15.017 1.00 . A A . 23 LYS HZ1 1 1 10 11354 1 1 23 LYS HZ2 H -0.610 -1.091 -14.700 1.00 . A A . 23 LYS HZ2 1 1 10 11355 1 1 23 LYS HZ3 H -0.638 -2.198 -13.474 1.00 . A A . 23 LYS HZ3 1 1 10 11356 1 1 23 LYS N N -3.018 2.768 -12.694 1.00 . A A . 23 LYS N 1 1 10 11357 1 1 23 LYS NZ N -1.079 -1.922 -14.339 1.00 . A A . 23 LYS NZ 1 1 10 11358 1 1 23 LYS O O -6.402 3.430 -12.052 1.00 . A A . 23 LYS O 1 1 10 11359 1 1 24 LEU C C -5.263 6.239 -10.159 1.00 . A A . 24 LEU C 1 1 10 11360 1 1 24 LEU CA C -5.412 4.761 -9.795 1.00 . A A . 24 LEU CA 1 1 10 11361 1 1 24 LEU CB C -4.977 4.463 -8.355 1.00 . A A . 24 LEU CB 1 1 10 11362 1 1 24 LEU CD1 C -4.130 2.704 -6.764 1.00 . A A . 24 LEU CD1 1 1 10 11363 1 1 24 LEU CD2 C -6.304 2.339 -7.947 1.00 . A A . 24 LEU CD2 1 1 10 11364 1 1 24 LEU CG C -4.910 2.953 -8.051 1.00 . A A . 24 LEU CG 1 1 10 11365 1 1 24 LEU H H -3.680 3.754 -10.497 1.00 . A A . 24 LEU H 1 1 10 11366 1 1 24 LEU HA H -6.473 4.517 -9.861 1.00 . A A . 24 LEU HA 1 1 10 11367 1 1 24 LEU HB2 H -4.001 4.913 -8.180 1.00 . A A . 24 LEU HB2 1 1 10 11368 1 1 24 LEU HB3 H -5.694 4.926 -7.678 1.00 . A A . 24 LEU HB3 1 1 10 11369 1 1 24 LEU HD11 H -4.067 1.630 -6.602 1.00 . A A . 24 LEU HD11 1 1 10 11370 1 1 24 LEU HD12 H -3.132 3.119 -6.867 1.00 . A A . 24 LEU HD12 1 1 10 11371 1 1 24 LEU HD13 H -4.598 3.180 -5.912 1.00 . A A . 24 LEU HD13 1 1 10 11372 1 1 24 LEU HD21 H -6.885 2.854 -7.185 1.00 . A A . 24 LEU HD21 1 1 10 11373 1 1 24 LEU HD22 H -6.814 2.406 -8.907 1.00 . A A . 24 LEU HD22 1 1 10 11374 1 1 24 LEU HD23 H -6.197 1.292 -7.678 1.00 . A A . 24 LEU HD23 1 1 10 11375 1 1 24 LEU HG H -4.375 2.408 -8.827 1.00 . A A . 24 LEU HG 1 1 10 11376 1 1 24 LEU N N -4.655 3.932 -10.721 1.00 . A A . 24 LEU N 1 1 10 11377 1 1 24 LEU O O -6.267 6.926 -10.323 1.00 . A A . 24 LEU O 1 1 10 11378 1 1 25 GLY C C -2.428 8.520 -10.072 1.00 . A A . 25 GLY C 1 1 10 11379 1 1 25 GLY CA C -3.731 8.081 -10.729 1.00 . A A . 25 GLY CA 1 1 10 11380 1 1 25 GLY H H -3.208 6.114 -10.276 1.00 . A A . 25 GLY H 1 1 10 11381 1 1 25 GLY HA2 H -3.608 8.093 -11.813 1.00 . A A . 25 GLY HA2 1 1 10 11382 1 1 25 GLY HA3 H -4.531 8.770 -10.454 1.00 . A A . 25 GLY HA3 1 1 10 11383 1 1 25 GLY N N -4.025 6.723 -10.309 1.00 . A A . 25 GLY N 1 1 10 11384 1 1 25 GLY O O -1.366 8.484 -10.691 1.00 . A A . 25 GLY O 1 1 10 11385 1 1 26 CYS C C -2.008 9.882 -6.640 1.00 . A A . 26 CYS C 1 1 10 11386 1 1 26 CYS CA C -1.416 9.412 -7.968 1.00 . A A . 26 CYS CA 1 1 10 11387 1 1 26 CYS CB C -0.656 10.557 -8.623 1.00 . A A . 26 CYS CB 1 1 10 11388 1 1 26 CYS H H -3.466 8.882 -8.404 1.00 . A A . 26 CYS H 1 1 10 11389 1 1 26 CYS HA H -0.752 8.573 -7.773 1.00 . A A . 26 CYS HA 1 1 10 11390 1 1 26 CYS HB2 H -0.624 10.494 -9.705 1.00 . A A . 26 CYS HB2 1 1 10 11391 1 1 26 CYS HB3 H -1.131 11.508 -8.380 1.00 . A A . 26 CYS HB3 1 1 10 11392 1 1 26 CYS N N -2.522 8.924 -8.806 1.00 . A A . 26 CYS N 1 1 10 11393 1 1 26 CYS O O -1.591 9.463 -5.558 1.00 . A A . 26 CYS O 1 1 10 11394 1 1 26 CYS SG S 1.057 10.616 -8.036 1.00 . A A . 26 CYS SG 1 1 10 11395 1 1 27 ASP C C -4.323 10.025 -4.799 1.00 . A A . 27 ASP C 1 1 10 11396 1 1 27 ASP CA C -4.071 11.106 -5.844 1.00 . A A . 27 ASP CA 1 1 10 11397 1 1 27 ASP CB C -5.358 11.400 -6.640 1.00 . A A . 27 ASP CB 1 1 10 11398 1 1 27 ASP CG C -5.883 10.216 -7.461 1.00 . A A . 27 ASP CG 1 1 10 11399 1 1 27 ASP H H -3.395 10.704 -7.750 1.00 . A A . 27 ASP H 1 1 10 11400 1 1 27 ASP HA H -3.744 12.018 -5.341 1.00 . A A . 27 ASP HA 1 1 10 11401 1 1 27 ASP HB2 H -6.137 11.701 -5.938 1.00 . A A . 27 ASP HB2 1 1 10 11402 1 1 27 ASP HB3 H -5.177 12.231 -7.322 1.00 . A A . 27 ASP HB3 1 1 10 11403 1 1 27 ASP N N -3.055 10.696 -6.799 1.00 . A A . 27 ASP N 1 1 10 11404 1 1 27 ASP O O -4.355 10.302 -3.603 1.00 . A A . 27 ASP O 1 1 10 11405 1 1 27 ASP OD1 O -5.041 9.374 -7.869 1.00 . A A . 27 ASP OD1 1 1 10 11406 1 1 27 ASP OD2 O -7.113 10.168 -7.653 1.00 . A A . 27 ASP OD2 1 1 10 11407 1 1 28 ALA C C -3.761 7.582 -3.235 1.00 . A A . 28 ALA C 1 1 10 11408 1 1 28 ALA CA C -4.556 7.555 -4.541 1.00 . A A . 28 ALA CA 1 1 10 11409 1 1 28 ALA CB C -4.051 6.433 -5.447 1.00 . A A . 28 ALA CB 1 1 10 11410 1 1 28 ALA H H -4.525 8.740 -6.304 1.00 . A A . 28 ALA H 1 1 10 11411 1 1 28 ALA HA H -5.608 7.389 -4.323 1.00 . A A . 28 ALA HA 1 1 10 11412 1 1 28 ALA HB1 H -4.070 5.480 -4.922 1.00 . A A . 28 ALA HB1 1 1 10 11413 1 1 28 ALA HB2 H -4.687 6.383 -6.327 1.00 . A A . 28 ALA HB2 1 1 10 11414 1 1 28 ALA HB3 H -3.030 6.643 -5.761 1.00 . A A . 28 ALA HB3 1 1 10 11415 1 1 28 ALA N N -4.470 8.792 -5.288 1.00 . A A . 28 ALA N 1 1 10 11416 1 1 28 ALA O O -4.273 7.166 -2.197 1.00 . A A . 28 ALA O 1 1 10 11417 1 1 29 CYS C C -0.874 9.360 -1.964 1.00 . A A . 29 CYS C 1 1 10 11418 1 1 29 CYS CA C -1.564 8.008 -2.193 1.00 . A A . 29 CYS CA 1 1 10 11419 1 1 29 CYS CB C -0.541 6.933 -2.433 1.00 . A A . 29 CYS CB 1 1 10 11420 1 1 29 CYS H H -2.177 8.348 -4.216 1.00 . A A . 29 CYS H 1 1 10 11421 1 1 29 CYS HA H -2.090 7.764 -1.268 1.00 . A A . 29 CYS HA 1 1 10 11422 1 1 29 CYS HB2 H 0.079 7.255 -3.268 1.00 . A A . 29 CYS HB2 1 1 10 11423 1 1 29 CYS HB3 H 0.089 6.823 -1.548 1.00 . A A . 29 CYS HB3 1 1 10 11424 1 1 29 CYS N N -2.504 8.030 -3.310 1.00 . A A . 29 CYS N 1 1 10 11425 1 1 29 CYS O O -0.388 9.601 -0.861 1.00 . A A . 29 CYS O 1 1 10 11426 1 1 29 CYS SG S -1.329 5.329 -2.817 1.00 . A A . 29 CYS SG 1 1 10 11427 1 1 30 HIS C C -0.886 12.594 -3.564 1.00 . A A . 30 HIS C 1 1 10 11428 1 1 30 HIS CA C -0.063 11.491 -2.906 1.00 . A A . 30 HIS CA 1 1 10 11429 1 1 30 HIS CB C 1.252 11.396 -3.687 1.00 . A A . 30 HIS CB 1 1 10 11430 1 1 30 HIS CD2 C 2.500 9.241 -4.085 1.00 . A A . 30 HIS CD2 1 1 10 11431 1 1 30 HIS CE1 C 4.046 9.383 -2.556 1.00 . A A . 30 HIS CE1 1 1 10 11432 1 1 30 HIS CG C 2.183 10.292 -3.281 1.00 . A A . 30 HIS CG 1 1 10 11433 1 1 30 HIS H H -1.210 10.018 -3.876 1.00 . A A . 30 HIS H 1 1 10 11434 1 1 30 HIS HA H 0.153 11.762 -1.871 1.00 . A A . 30 HIS HA 1 1 10 11435 1 1 30 HIS HB2 H 1.008 11.254 -4.742 1.00 . A A . 30 HIS HB2 1 1 10 11436 1 1 30 HIS HB3 H 1.774 12.348 -3.604 1.00 . A A . 30 HIS HB3 1 1 10 11437 1 1 30 HIS HD1 H 3.231 11.115 -1.638 1.00 . A A . 30 HIS HD1 1 1 10 11438 1 1 30 HIS HD2 H 2.002 8.960 -4.991 1.00 . A A . 30 HIS HD2 1 1 10 11439 1 1 30 HIS HE1 H 4.966 9.196 -2.026 1.00 . A A . 30 HIS HE1 1 1 10 11440 1 1 30 HIS N N -0.780 10.227 -2.981 1.00 . A A . 30 HIS N 1 1 10 11441 1 1 30 HIS ND1 N 3.160 10.378 -2.320 1.00 . A A . 30 HIS ND1 1 1 10 11442 1 1 30 HIS NE2 N 3.684 8.675 -3.632 1.00 . A A . 30 HIS NE2 1 1 10 11443 1 1 30 HIS O O -1.158 12.511 -4.760 1.00 . A A . 30 HIS O 1 1 10 11444 1 1 31 GLU C C -0.720 16.008 -3.190 1.00 . A A . 31 GLU C 1 1 10 11445 1 1 31 GLU CA C -1.751 14.891 -3.359 1.00 . A A . 31 GLU CA 1 1 10 11446 1 1 31 GLU CB C -3.100 15.236 -2.724 1.00 . A A . 31 GLU CB 1 1 10 11447 1 1 31 GLU CD C -2.723 14.672 -0.283 1.00 . A A . 31 GLU CD 1 1 10 11448 1 1 31 GLU CG C -3.496 14.343 -1.553 1.00 . A A . 31 GLU CG 1 1 10 11449 1 1 31 GLU H H -1.003 13.663 -1.820 1.00 . A A . 31 GLU H 1 1 10 11450 1 1 31 GLU HA H -2.017 14.771 -4.399 1.00 . A A . 31 GLU HA 1 1 10 11451 1 1 31 GLU HB2 H -3.122 16.279 -2.404 1.00 . A A . 31 GLU HB2 1 1 10 11452 1 1 31 GLU HB3 H -3.870 15.114 -3.488 1.00 . A A . 31 GLU HB3 1 1 10 11453 1 1 31 GLU HG2 H -4.542 14.568 -1.427 1.00 . A A . 31 GLU HG2 1 1 10 11454 1 1 31 GLU HG3 H -3.422 13.281 -1.789 1.00 . A A . 31 GLU HG3 1 1 10 11455 1 1 31 GLU N N -1.191 13.659 -2.826 1.00 . A A . 31 GLU N 1 1 10 11456 1 1 31 GLU O O -0.200 16.552 -4.165 1.00 . A A . 31 GLU O 1 1 10 11457 1 1 31 GLU OE1 O -1.486 14.469 -0.316 1.00 . A A . 31 GLU OE1 1 1 10 11458 1 1 31 GLU OE2 O -3.359 15.173 0.666 1.00 . A A . 31 GLU OE2 1 1 10 11459 1 1 32 GLY C C 1.908 17.182 -1.711 1.00 . A A . 32 GLY C 1 1 10 11460 1 1 32 GLY CA C 0.418 17.482 -1.573 1.00 . A A . 32 GLY CA 1 1 10 11461 1 1 32 GLY H H -0.798 15.767 -1.189 1.00 . A A . 32 GLY H 1 1 10 11462 1 1 32 GLY HA2 H 0.167 18.338 -2.202 1.00 . A A . 32 GLY HA2 1 1 10 11463 1 1 32 GLY HA3 H 0.201 17.744 -0.537 1.00 . A A . 32 GLY HA3 1 1 10 11464 1 1 32 GLY N N -0.404 16.341 -1.938 1.00 . A A . 32 GLY N 1 1 10 11465 1 1 32 GLY O O 2.653 17.347 -0.750 1.00 . A A . 32 GLY O 1 1 10 11466 1 1 33 THR C C 4.285 15.260 -2.694 1.00 . A A . 33 THR C 1 1 10 11467 1 1 33 THR CA C 3.718 16.553 -3.306 1.00 . A A . 33 THR CA 1 1 10 11468 1 1 33 THR CB C 4.595 17.771 -2.961 1.00 . A A . 33 THR CB 1 1 10 11469 1 1 33 THR CG2 C 5.973 17.677 -3.623 1.00 . A A . 33 THR CG2 1 1 10 11470 1 1 33 THR H H 1.616 16.704 -3.635 1.00 . A A . 33 THR H 1 1 10 11471 1 1 33 THR HA H 3.689 16.488 -4.391 1.00 . A A . 33 THR HA 1 1 10 11472 1 1 33 THR HB H 4.744 17.834 -1.881 1.00 . A A . 33 THR HB 1 1 10 11473 1 1 33 THR HG1 H 4.383 19.708 -3.006 1.00 . A A . 33 THR HG1 1 1 10 11474 1 1 33 THR HG21 H 6.508 16.795 -3.268 1.00 . A A . 33 THR HG21 1 1 10 11475 1 1 33 THR HG22 H 5.865 17.621 -4.706 1.00 . A A . 33 THR HG22 1 1 10 11476 1 1 33 THR HG23 H 6.560 18.560 -3.371 1.00 . A A . 33 THR HG23 1 1 10 11477 1 1 33 THR N N 2.328 16.778 -2.915 1.00 . A A . 33 THR N 1 1 10 11478 1 1 33 THR O O 4.390 15.152 -1.474 1.00 . A A . 33 THR O 1 1 10 11479 1 1 33 THR OG1 O 3.963 18.950 -3.420 1.00 . A A . 33 THR OG1 1 1 10 11480 1 1 34 PRO C C 6.747 13.445 -2.458 1.00 . A A . 34 PRO C 1 1 10 11481 1 1 34 PRO CA C 5.354 13.088 -2.976 1.00 . A A . 34 PRO CA 1 1 10 11482 1 1 34 PRO CB C 5.453 12.109 -4.134 1.00 . A A . 34 PRO CB 1 1 10 11483 1 1 34 PRO CD C 4.633 14.223 -4.953 1.00 . A A . 34 PRO CD 1 1 10 11484 1 1 34 PRO CG C 5.454 13.001 -5.369 1.00 . A A . 34 PRO CG 1 1 10 11485 1 1 34 PRO HA H 4.765 12.615 -2.196 1.00 . A A . 34 PRO HA 1 1 10 11486 1 1 34 PRO HB2 H 6.348 11.500 -4.019 1.00 . A A . 34 PRO HB2 1 1 10 11487 1 1 34 PRO HB3 H 4.569 11.479 -4.185 1.00 . A A . 34 PRO HB3 1 1 10 11488 1 1 34 PRO HD2 H 5.070 15.112 -5.412 1.00 . A A . 34 PRO HD2 1 1 10 11489 1 1 34 PRO HD3 H 3.597 14.102 -5.271 1.00 . A A . 34 PRO HD3 1 1 10 11490 1 1 34 PRO HG2 H 6.478 13.302 -5.590 1.00 . A A . 34 PRO HG2 1 1 10 11491 1 1 34 PRO HG3 H 5.004 12.484 -6.214 1.00 . A A . 34 PRO HG3 1 1 10 11492 1 1 34 PRO N N 4.691 14.267 -3.501 1.00 . A A . 34 PRO N 1 1 10 11493 1 1 34 PRO O O 7.527 14.075 -3.169 1.00 . A A . 34 PRO O 1 1 10 11494 1 1 35 ALA C C 8.564 12.127 0.441 1.00 . A A . 35 ALA C 1 1 10 11495 1 1 35 ALA CA C 8.388 13.187 -0.645 1.00 . A A . 35 ALA CA 1 1 10 11496 1 1 35 ALA CB C 8.520 14.613 -0.095 1.00 . A A . 35 ALA CB 1 1 10 11497 1 1 35 ALA H H 6.378 12.531 -0.682 1.00 . A A . 35 ALA H 1 1 10 11498 1 1 35 ALA HA H 9.161 13.034 -1.400 1.00 . A A . 35 ALA HA 1 1 10 11499 1 1 35 ALA HB1 H 9.498 14.739 0.368 1.00 . A A . 35 ALA HB1 1 1 10 11500 1 1 35 ALA HB2 H 8.419 15.335 -0.905 1.00 . A A . 35 ALA HB2 1 1 10 11501 1 1 35 ALA HB3 H 7.744 14.801 0.648 1.00 . A A . 35 ALA HB3 1 1 10 11502 1 1 35 ALA N N 7.072 13.009 -1.239 1.00 . A A . 35 ALA N 1 1 10 11503 1 1 35 ALA O O 8.668 12.462 1.618 1.00 . A A . 35 ALA O 1 1 10 11504 1 1 36 LYS C C 7.154 9.583 1.621 1.00 . A A . 36 LYS C 1 1 10 11505 1 1 36 LYS CA C 8.500 9.677 0.891 1.00 . A A . 36 LYS CA 1 1 10 11506 1 1 36 LYS CB C 9.690 9.611 1.870 1.00 . A A . 36 LYS CB 1 1 10 11507 1 1 36 LYS CD C 11.191 7.714 1.181 1.00 . A A . 36 LYS CD 1 1 10 11508 1 1 36 LYS CE C 11.729 7.268 2.551 1.00 . A A . 36 LYS CE 1 1 10 11509 1 1 36 LYS CG C 10.994 9.235 1.152 1.00 . A A . 36 LYS CG 1 1 10 11510 1 1 36 LYS H H 8.446 10.700 -0.971 1.00 . A A . 36 LYS H 1 1 10 11511 1 1 36 LYS HA H 8.559 8.810 0.238 1.00 . A A . 36 LYS HA 1 1 10 11512 1 1 36 LYS HB2 H 9.834 10.556 2.387 1.00 . A A . 36 LYS HB2 1 1 10 11513 1 1 36 LYS HB3 H 9.473 8.868 2.636 1.00 . A A . 36 LYS HB3 1 1 10 11514 1 1 36 LYS HD2 H 10.244 7.234 0.941 1.00 . A A . 36 LYS HD2 1 1 10 11515 1 1 36 LYS HD3 H 11.911 7.429 0.410 1.00 . A A . 36 LYS HD3 1 1 10 11516 1 1 36 LYS HE2 H 12.814 7.310 2.506 1.00 . A A . 36 LYS HE2 1 1 10 11517 1 1 36 LYS HE3 H 11.393 7.947 3.336 1.00 . A A . 36 LYS HE3 1 1 10 11518 1 1 36 LYS HG2 H 10.960 9.585 0.119 1.00 . A A . 36 LYS HG2 1 1 10 11519 1 1 36 LYS HG3 H 11.845 9.719 1.633 1.00 . A A . 36 LYS HG3 1 1 10 11520 1 1 36 LYS HZ1 H 11.724 5.543 3.744 1.00 . A A . 36 LYS HZ1 1 1 10 11521 1 1 36 LYS HZ2 H 10.268 5.910 3.038 1.00 . A A . 36 LYS HZ2 1 1 10 11522 1 1 36 LYS HZ3 H 11.359 5.237 2.147 1.00 . A A . 36 LYS HZ3 1 1 10 11523 1 1 36 LYS N N 8.558 10.853 0.022 1.00 . A A . 36 LYS N 1 1 10 11524 1 1 36 LYS NZ N 11.283 5.911 2.917 1.00 . A A . 36 LYS NZ 1 1 10 11525 1 1 36 LYS O O 6.391 10.547 1.647 1.00 . A A . 36 LYS O 1 1 10 11526 1 1 37 ILE C C 6.149 7.380 4.309 1.00 . A A . 37 ILE C 1 1 10 11527 1 1 37 ILE CA C 5.734 8.243 3.126 1.00 . A A . 37 ILE CA 1 1 10 11528 1 1 37 ILE CB C 4.456 7.670 2.471 1.00 . A A . 37 ILE CB 1 1 10 11529 1 1 37 ILE CD1 C 2.841 7.893 0.484 1.00 . A A . 37 ILE CD1 1 1 10 11530 1 1 37 ILE CG1 C 4.213 8.248 1.072 1.00 . A A . 37 ILE CG1 1 1 10 11531 1 1 37 ILE CG2 C 3.254 7.939 3.391 1.00 . A A . 37 ILE CG2 1 1 10 11532 1 1 37 ILE H H 7.517 7.643 2.070 1.00 . A A . 37 ILE H 1 1 10 11533 1 1 37 ILE HA H 5.496 9.215 3.540 1.00 . A A . 37 ILE HA 1 1 10 11534 1 1 37 ILE HB H 4.564 6.590 2.364 1.00 . A A . 37 ILE HB 1 1 10 11535 1 1 37 ILE HD11 H 2.620 6.838 0.619 1.00 . A A . 37 ILE HD11 1 1 10 11536 1 1 37 ILE HD12 H 2.063 8.485 0.967 1.00 . A A . 37 ILE HD12 1 1 10 11537 1 1 37 ILE HD13 H 2.822 8.114 -0.580 1.00 . A A . 37 ILE HD13 1 1 10 11538 1 1 37 ILE HG12 H 4.289 9.333 1.100 1.00 . A A . 37 ILE HG12 1 1 10 11539 1 1 37 ILE HG13 H 5.001 7.847 0.436 1.00 . A A . 37 ILE HG13 1 1 10 11540 1 1 37 ILE HG21 H 3.056 9.010 3.440 1.00 . A A . 37 ILE HG21 1 1 10 11541 1 1 37 ILE HG22 H 2.366 7.427 3.022 1.00 . A A . 37 ILE HG22 1 1 10 11542 1 1 37 ILE HG23 H 3.451 7.570 4.398 1.00 . A A . 37 ILE HG23 1 1 10 11543 1 1 37 ILE N N 6.857 8.407 2.191 1.00 . A A . 37 ILE N 1 1 10 11544 1 1 37 ILE O O 5.923 7.741 5.461 1.00 . A A . 37 ILE O 1 1 10 11545 1 1 38 ALA C C 5.929 4.639 5.649 1.00 . A A . 38 ALA C 1 1 10 11546 1 1 38 ALA CA C 7.154 5.203 4.941 1.00 . A A . 38 ALA CA 1 1 10 11547 1 1 38 ALA CB C 8.211 5.735 5.915 1.00 . A A . 38 ALA CB 1 1 10 11548 1 1 38 ALA H H 6.893 6.054 3.011 1.00 . A A . 38 ALA H 1 1 10 11549 1 1 38 ALA HA H 7.615 4.393 4.374 1.00 . A A . 38 ALA HA 1 1 10 11550 1 1 38 ALA HB1 H 8.571 4.909 6.531 1.00 . A A . 38 ALA HB1 1 1 10 11551 1 1 38 ALA HB2 H 9.043 6.155 5.352 1.00 . A A . 38 ALA HB2 1 1 10 11552 1 1 38 ALA HB3 H 7.792 6.497 6.571 1.00 . A A . 38 ALA HB3 1 1 10 11553 1 1 38 ALA N N 6.735 6.228 3.995 1.00 . A A . 38 ALA N 1 1 10 11554 1 1 38 ALA O O 5.725 4.848 6.843 1.00 . A A . 38 ALA O 1 1 10 11555 1 1 39 ILE C C 4.298 2.195 6.354 1.00 . A A . 39 ILE C 1 1 10 11556 1 1 39 ILE CA C 3.883 3.341 5.432 1.00 . A A . 39 ILE CA 1 1 10 11557 1 1 39 ILE CB C 2.914 2.921 4.319 1.00 . A A . 39 ILE CB 1 1 10 11558 1 1 39 ILE CD1 C 1.475 4.188 2.559 1.00 . A A . 39 ILE CD1 1 1 10 11559 1 1 39 ILE CG1 C 2.817 4.051 3.281 1.00 . A A . 39 ILE CG1 1 1 10 11560 1 1 39 ILE CG2 C 1.552 2.568 4.914 1.00 . A A . 39 ILE CG2 1 1 10 11561 1 1 39 ILE H H 5.326 3.753 3.924 1.00 . A A . 39 ILE H 1 1 10 11562 1 1 39 ILE HA H 3.376 4.114 6.012 1.00 . A A . 39 ILE HA 1 1 10 11563 1 1 39 ILE HB H 3.293 2.022 3.838 1.00 . A A . 39 ILE HB 1 1 10 11564 1 1 39 ILE HD11 H 0.713 4.519 3.263 1.00 . A A . 39 ILE HD11 1 1 10 11565 1 1 39 ILE HD12 H 1.559 4.941 1.777 1.00 . A A . 39 ILE HD12 1 1 10 11566 1 1 39 ILE HD13 H 1.178 3.247 2.108 1.00 . A A . 39 ILE HD13 1 1 10 11567 1 1 39 ILE HG12 H 3.025 5.014 3.739 1.00 . A A . 39 ILE HG12 1 1 10 11568 1 1 39 ILE HG13 H 3.603 3.862 2.563 1.00 . A A . 39 ILE HG13 1 1 10 11569 1 1 39 ILE HG21 H 0.955 2.048 4.166 1.00 . A A . 39 ILE HG21 1 1 10 11570 1 1 39 ILE HG22 H 1.695 1.907 5.760 1.00 . A A . 39 ILE HG22 1 1 10 11571 1 1 39 ILE HG23 H 1.036 3.468 5.244 1.00 . A A . 39 ILE HG23 1 1 10 11572 1 1 39 ILE N N 5.092 3.930 4.889 1.00 . A A . 39 ILE N 1 1 10 11573 1 1 39 ILE O O 4.787 1.162 5.906 1.00 . A A . 39 ILE O 1 1 10 11574 1 1 40 ASP C C 3.317 0.660 9.044 1.00 . A A . 40 ASP C 1 1 10 11575 1 1 40 ASP CA C 4.506 1.555 8.740 1.00 . A A . 40 ASP CA 1 1 10 11576 1 1 40 ASP CB C 4.871 2.406 9.967 1.00 . A A . 40 ASP CB 1 1 10 11577 1 1 40 ASP CG C 4.897 1.598 11.251 1.00 . A A . 40 ASP CG 1 1 10 11578 1 1 40 ASP H H 3.560 3.232 7.877 1.00 . A A . 40 ASP H 1 1 10 11579 1 1 40 ASP HA H 5.361 0.937 8.457 1.00 . A A . 40 ASP HA 1 1 10 11580 1 1 40 ASP HB2 H 5.848 2.859 9.812 1.00 . A A . 40 ASP HB2 1 1 10 11581 1 1 40 ASP HB3 H 4.119 3.180 10.088 1.00 . A A . 40 ASP HB3 1 1 10 11582 1 1 40 ASP N N 4.124 2.434 7.650 1.00 . A A . 40 ASP N 1 1 10 11583 1 1 40 ASP O O 2.213 0.920 8.569 1.00 . A A . 40 ASP O 1 1 10 11584 1 1 40 ASP OD1 O 5.643 0.601 11.286 1.00 . A A . 40 ASP OD1 1 1 10 11585 1 1 40 ASP OD2 O 4.046 1.889 12.121 1.00 . A A . 40 ASP OD2 1 1 10 11586 1 1 41 LYS C C 1.315 -0.309 10.873 1.00 . A A . 41 LYS C 1 1 10 11587 1 1 41 LYS CA C 2.499 -1.174 10.462 1.00 . A A . 41 LYS CA 1 1 10 11588 1 1 41 LYS CB C 3.070 -1.958 11.651 1.00 . A A . 41 LYS CB 1 1 10 11589 1 1 41 LYS CD C 1.232 -2.453 13.362 1.00 . A A . 41 LYS CD 1 1 10 11590 1 1 41 LYS CE C -0.064 -3.255 13.547 1.00 . A A . 41 LYS CE 1 1 10 11591 1 1 41 LYS CG C 2.081 -2.997 12.201 1.00 . A A . 41 LYS CG 1 1 10 11592 1 1 41 LYS H H 4.471 -0.357 10.301 1.00 . A A . 41 LYS H 1 1 10 11593 1 1 41 LYS HA H 2.169 -1.875 9.695 1.00 . A A . 41 LYS HA 1 1 10 11594 1 1 41 LYS HB2 H 3.944 -2.484 11.281 1.00 . A A . 41 LYS HB2 1 1 10 11595 1 1 41 LYS HB3 H 3.399 -1.285 12.443 1.00 . A A . 41 LYS HB3 1 1 10 11596 1 1 41 LYS HD2 H 1.829 -2.462 14.276 1.00 . A A . 41 LYS HD2 1 1 10 11597 1 1 41 LYS HD3 H 0.942 -1.420 13.178 1.00 . A A . 41 LYS HD3 1 1 10 11598 1 1 41 LYS HE2 H -0.587 -2.878 14.429 1.00 . A A . 41 LYS HE2 1 1 10 11599 1 1 41 LYS HE3 H -0.705 -3.095 12.679 1.00 . A A . 41 LYS HE3 1 1 10 11600 1 1 41 LYS HG2 H 1.450 -3.342 11.378 1.00 . A A . 41 LYS HG2 1 1 10 11601 1 1 41 LYS HG3 H 2.669 -3.836 12.571 1.00 . A A . 41 LYS HG3 1 1 10 11602 1 1 41 LYS HZ1 H -0.695 -5.182 13.843 1.00 . A A . 41 LYS HZ1 1 1 10 11603 1 1 41 LYS HZ2 H 0.617 -5.065 12.862 1.00 . A A . 41 LYS HZ2 1 1 10 11604 1 1 41 LYS HZ3 H 0.783 -4.871 14.494 1.00 . A A . 41 LYS HZ3 1 1 10 11605 1 1 41 LYS N N 3.540 -0.355 9.877 1.00 . A A . 41 LYS N 1 1 10 11606 1 1 41 LYS NZ N 0.182 -4.703 13.699 1.00 . A A . 41 LYS NZ 1 1 10 11607 1 1 41 LYS O O 0.189 -0.625 10.501 1.00 . A A . 41 LYS O 1 1 10 11608 1 1 42 LYS C C -0.328 2.117 10.893 1.00 . A A . 42 LYS C 1 1 10 11609 1 1 42 LYS CA C 0.511 1.660 12.088 1.00 . A A . 42 LYS CA 1 1 10 11610 1 1 42 LYS CB C 1.099 2.845 12.872 1.00 . A A . 42 LYS CB 1 1 10 11611 1 1 42 LYS CD C 2.161 3.573 15.088 1.00 . A A . 42 LYS CD 1 1 10 11612 1 1 42 LYS CE C 3.685 3.765 15.025 1.00 . A A . 42 LYS CE 1 1 10 11613 1 1 42 LYS CG C 1.647 2.396 14.237 1.00 . A A . 42 LYS CG 1 1 10 11614 1 1 42 LYS H H 2.534 1.015 11.848 1.00 . A A . 42 LYS H 1 1 10 11615 1 1 42 LYS HA H -0.151 1.101 12.752 1.00 . A A . 42 LYS HA 1 1 10 11616 1 1 42 LYS HB2 H 1.876 3.330 12.282 1.00 . A A . 42 LYS HB2 1 1 10 11617 1 1 42 LYS HB3 H 0.298 3.566 13.044 1.00 . A A . 42 LYS HB3 1 1 10 11618 1 1 42 LYS HD2 H 1.644 4.494 14.808 1.00 . A A . 42 LYS HD2 1 1 10 11619 1 1 42 LYS HD3 H 1.911 3.365 16.131 1.00 . A A . 42 LYS HD3 1 1 10 11620 1 1 42 LYS HE2 H 3.962 4.614 15.654 1.00 . A A . 42 LYS HE2 1 1 10 11621 1 1 42 LYS HE3 H 4.172 2.872 15.421 1.00 . A A . 42 LYS HE3 1 1 10 11622 1 1 42 LYS HG2 H 0.819 1.932 14.779 1.00 . A A . 42 LYS HG2 1 1 10 11623 1 1 42 LYS HG3 H 2.424 1.639 14.114 1.00 . A A . 42 LYS HG3 1 1 10 11624 1 1 42 LYS HZ1 H 5.179 4.088 13.641 1.00 . A A . 42 LYS HZ1 1 1 10 11625 1 1 42 LYS HZ2 H 3.947 3.187 13.083 1.00 . A A . 42 LYS HZ2 1 1 10 11626 1 1 42 LYS HZ3 H 3.751 4.811 13.235 1.00 . A A . 42 LYS HZ3 1 1 10 11627 1 1 42 LYS N N 1.565 0.764 11.638 1.00 . A A . 42 LYS N 1 1 10 11628 1 1 42 LYS NZ N 4.174 3.999 13.654 1.00 . A A . 42 LYS NZ 1 1 10 11629 1 1 42 LYS O O -1.480 1.718 10.767 1.00 . A A . 42 LYS O 1 1 10 11630 1 1 43 SER C C -1.104 2.444 8.002 1.00 . A A . 43 SER C 1 1 10 11631 1 1 43 SER CA C -0.433 3.520 8.870 1.00 . A A . 43 SER CA 1 1 10 11632 1 1 43 SER CB C 0.609 4.328 8.087 1.00 . A A . 43 SER CB 1 1 10 11633 1 1 43 SER H H 1.195 3.257 10.161 1.00 . A A . 43 SER H 1 1 10 11634 1 1 43 SER HA H -1.195 4.208 9.238 1.00 . A A . 43 SER HA 1 1 10 11635 1 1 43 SER HB2 H 1.230 3.653 7.501 1.00 . A A . 43 SER HB2 1 1 10 11636 1 1 43 SER HB3 H 0.105 5.027 7.417 1.00 . A A . 43 SER HB3 1 1 10 11637 1 1 43 SER HG H 2.026 5.611 8.511 1.00 . A A . 43 SER HG 1 1 10 11638 1 1 43 SER N N 0.246 2.942 10.017 1.00 . A A . 43 SER N 1 1 10 11639 1 1 43 SER O O -2.302 2.502 7.734 1.00 . A A . 43 SER O 1 1 10 11640 1 1 43 SER OG O 1.455 5.009 8.999 1.00 . A A . 43 SER OG 1 1 10 11641 1 1 44 ALA C C -1.945 -0.368 7.253 1.00 . A A . 44 ALA C 1 1 10 11642 1 1 44 ALA CA C -0.691 0.329 6.744 1.00 . A A . 44 ALA CA 1 1 10 11643 1 1 44 ALA CB C 0.481 -0.648 6.718 1.00 . A A . 44 ALA CB 1 1 10 11644 1 1 44 ALA H H 0.653 1.485 7.873 1.00 . A A . 44 ALA H 1 1 10 11645 1 1 44 ALA HA H -0.881 0.667 5.729 1.00 . A A . 44 ALA HA 1 1 10 11646 1 1 44 ALA HB1 H 0.245 -1.445 6.016 1.00 . A A . 44 ALA HB1 1 1 10 11647 1 1 44 ALA HB2 H 1.397 -0.134 6.419 1.00 . A A . 44 ALA HB2 1 1 10 11648 1 1 44 ALA HB3 H 0.635 -1.068 7.711 1.00 . A A . 44 ALA HB3 1 1 10 11649 1 1 44 ALA N N -0.312 1.461 7.574 1.00 . A A . 44 ALA N 1 1 10 11650 1 1 44 ALA O O -2.883 -0.595 6.484 1.00 . A A . 44 ALA O 1 1 10 11651 1 1 45 HIS C C -4.016 -0.288 9.837 1.00 . A A . 45 HIS C 1 1 10 11652 1 1 45 HIS CA C -3.077 -1.330 9.213 1.00 . A A . 45 HIS CA 1 1 10 11653 1 1 45 HIS CB C -2.545 -2.360 10.221 1.00 . A A . 45 HIS CB 1 1 10 11654 1 1 45 HIS CD2 C -0.834 -3.930 9.021 1.00 . A A . 45 HIS CD2 1 1 10 11655 1 1 45 HIS CE1 C -2.146 -5.662 8.769 1.00 . A A . 45 HIS CE1 1 1 10 11656 1 1 45 HIS CG C -2.066 -3.633 9.566 1.00 . A A . 45 HIS CG 1 1 10 11657 1 1 45 HIS H H -1.148 -0.459 9.126 1.00 . A A . 45 HIS H 1 1 10 11658 1 1 45 HIS HA H -3.671 -1.880 8.486 1.00 . A A . 45 HIS HA 1 1 10 11659 1 1 45 HIS HB2 H -1.771 -1.930 10.847 1.00 . A A . 45 HIS HB2 1 1 10 11660 1 1 45 HIS HB3 H -3.361 -2.654 10.882 1.00 . A A . 45 HIS HB3 1 1 10 11661 1 1 45 HIS HD1 H -3.827 -4.817 9.704 1.00 . A A . 45 HIS HD1 1 1 10 11662 1 1 45 HIS HD2 H 0.030 -3.284 8.980 1.00 . A A . 45 HIS HD2 1 1 10 11663 1 1 45 HIS HE1 H -2.534 -6.630 8.520 1.00 . A A . 45 HIS HE1 1 1 10 11664 1 1 45 HIS N N -1.953 -0.695 8.548 1.00 . A A . 45 HIS N 1 1 10 11665 1 1 45 HIS ND1 N -2.869 -4.729 9.397 1.00 . A A . 45 HIS ND1 1 1 10 11666 1 1 45 HIS NE2 N -0.894 -5.243 8.523 1.00 . A A . 45 HIS NE2 1 1 10 11667 1 1 45 HIS O O -4.683 -0.577 10.829 1.00 . A A . 45 HIS O 1 1 10 11668 1 1 46 LYS C C -5.571 2.692 8.470 1.00 . A A . 46 LYS C 1 1 10 11669 1 1 46 LYS CA C -4.985 1.976 9.694 1.00 . A A . 46 LYS CA 1 1 10 11670 1 1 46 LYS CB C -4.198 2.868 10.667 1.00 . A A . 46 LYS CB 1 1 10 11671 1 1 46 LYS CD C -4.405 5.343 10.865 1.00 . A A . 46 LYS CD 1 1 10 11672 1 1 46 LYS CE C -4.925 6.559 11.646 1.00 . A A . 46 LYS CE 1 1 10 11673 1 1 46 LYS CG C -4.989 4.005 11.328 1.00 . A A . 46 LYS CG 1 1 10 11674 1 1 46 LYS H H -3.471 1.124 8.477 1.00 . A A . 46 LYS H 1 1 10 11675 1 1 46 LYS HA H -5.826 1.576 10.254 1.00 . A A . 46 LYS HA 1 1 10 11676 1 1 46 LYS HB2 H -3.846 2.225 11.474 1.00 . A A . 46 LYS HB2 1 1 10 11677 1 1 46 LYS HB3 H -3.325 3.264 10.152 1.00 . A A . 46 LYS HB3 1 1 10 11678 1 1 46 LYS HD2 H -3.320 5.317 10.979 1.00 . A A . 46 LYS HD2 1 1 10 11679 1 1 46 LYS HD3 H -4.629 5.436 9.803 1.00 . A A . 46 LYS HD3 1 1 10 11680 1 1 46 LYS HE2 H -4.624 6.481 12.692 1.00 . A A . 46 LYS HE2 1 1 10 11681 1 1 46 LYS HE3 H -4.468 7.454 11.221 1.00 . A A . 46 LYS HE3 1 1 10 11682 1 1 46 LYS HG2 H -6.046 3.927 11.067 1.00 . A A . 46 LYS HG2 1 1 10 11683 1 1 46 LYS HG3 H -4.877 3.918 12.411 1.00 . A A . 46 LYS HG3 1 1 10 11684 1 1 46 LYS HZ1 H -6.855 5.910 11.981 1.00 . A A . 46 LYS HZ1 1 1 10 11685 1 1 46 LYS HZ2 H -6.707 7.557 11.982 1.00 . A A . 46 LYS HZ2 1 1 10 11686 1 1 46 LYS HZ3 H -6.661 6.702 10.577 1.00 . A A . 46 LYS HZ3 1 1 10 11687 1 1 46 LYS N N -4.105 0.907 9.241 1.00 . A A . 46 LYS N 1 1 10 11688 1 1 46 LYS NZ N -6.391 6.697 11.559 1.00 . A A . 46 LYS NZ 1 1 10 11689 1 1 46 LYS O O -6.690 2.382 8.058 1.00 . A A . 46 LYS O 1 1 10 11690 1 1 47 ASP C C -4.156 4.416 5.677 1.00 . A A . 47 ASP C 1 1 10 11691 1 1 47 ASP CA C -5.240 4.434 6.748 1.00 . A A . 47 ASP CA 1 1 10 11692 1 1 47 ASP CB C -5.639 5.852 7.179 1.00 . A A . 47 ASP CB 1 1 10 11693 1 1 47 ASP CG C -6.986 5.857 7.886 1.00 . A A . 47 ASP CG 1 1 10 11694 1 1 47 ASP H H -3.817 3.602 8.087 1.00 . A A . 47 ASP H 1 1 10 11695 1 1 47 ASP HA H -6.133 4.019 6.300 1.00 . A A . 47 ASP HA 1 1 10 11696 1 1 47 ASP HB2 H -4.862 6.314 7.783 1.00 . A A . 47 ASP HB2 1 1 10 11697 1 1 47 ASP HB3 H -5.766 6.458 6.280 1.00 . A A . 47 ASP HB3 1 1 10 11698 1 1 47 ASP N N -4.808 3.610 7.872 1.00 . A A . 47 ASP N 1 1 10 11699 1 1 47 ASP O O -3.489 5.418 5.429 1.00 . A A . 47 ASP O 1 1 10 11700 1 1 47 ASP OD1 O -7.998 5.603 7.203 1.00 . A A . 47 ASP OD1 1 1 10 11701 1 1 47 ASP OD2 O -6.983 6.113 9.111 1.00 . A A . 47 ASP OD2 1 1 10 11702 1 1 48 ALA C C -3.633 1.804 3.114 1.00 . A A . 48 ALA C 1 1 10 11703 1 1 48 ALA CA C -3.219 3.096 3.826 1.00 . A A . 48 ALA CA 1 1 10 11704 1 1 48 ALA CB C -1.721 3.169 4.144 1.00 . A A . 48 ALA CB 1 1 10 11705 1 1 48 ALA H H -4.589 2.485 5.334 1.00 . A A . 48 ALA H 1 1 10 11706 1 1 48 ALA HA H -3.454 3.920 3.150 1.00 . A A . 48 ALA HA 1 1 10 11707 1 1 48 ALA HB1 H -1.144 2.832 3.283 1.00 . A A . 48 ALA HB1 1 1 10 11708 1 1 48 ALA HB2 H -1.446 4.200 4.367 1.00 . A A . 48 ALA HB2 1 1 10 11709 1 1 48 ALA HB3 H -1.477 2.566 5.016 1.00 . A A . 48 ALA HB3 1 1 10 11710 1 1 48 ALA N N -3.997 3.256 5.039 1.00 . A A . 48 ALA N 1 1 10 11711 1 1 48 ALA O O -4.537 1.819 2.277 1.00 . A A . 48 ALA O 1 1 10 11712 1 1 49 CYS C C -4.446 -1.254 3.061 1.00 . A A . 49 CYS C 1 1 10 11713 1 1 49 CYS CA C -3.159 -0.536 2.638 1.00 . A A . 49 CYS CA 1 1 10 11714 1 1 49 CYS CB C -1.956 -1.440 2.723 1.00 . A A . 49 CYS CB 1 1 10 11715 1 1 49 CYS H H -2.283 0.697 4.150 1.00 . A A . 49 CYS H 1 1 10 11716 1 1 49 CYS HA H -3.266 -0.259 1.588 1.00 . A A . 49 CYS HA 1 1 10 11717 1 1 49 CYS HB2 H -2.040 -1.995 3.643 1.00 . A A . 49 CYS HB2 1 1 10 11718 1 1 49 CYS HB3 H -1.975 -2.148 1.897 1.00 . A A . 49 CYS HB3 1 1 10 11719 1 1 49 CYS N N -2.978 0.682 3.419 1.00 . A A . 49 CYS N 1 1 10 11720 1 1 49 CYS O O -5.326 -1.491 2.229 1.00 . A A . 49 CYS O 1 1 10 11721 1 1 49 CYS SG S -0.330 -0.621 2.812 1.00 . A A . 49 CYS SG 1 1 10 11722 1 1 50 LYS C C -6.940 -1.068 5.010 1.00 . A A . 50 LYS C 1 1 10 11723 1 1 50 LYS CA C -5.865 -2.158 4.868 1.00 . A A . 50 LYS CA 1 1 10 11724 1 1 50 LYS CB C -5.634 -2.887 6.206 1.00 . A A . 50 LYS CB 1 1 10 11725 1 1 50 LYS CD C -5.309 -5.386 5.568 1.00 . A A . 50 LYS CD 1 1 10 11726 1 1 50 LYS CE C -6.187 -6.148 6.583 1.00 . A A . 50 LYS CE 1 1 10 11727 1 1 50 LYS CG C -4.682 -4.094 6.138 1.00 . A A . 50 LYS CG 1 1 10 11728 1 1 50 LYS H H -3.923 -1.261 5.036 1.00 . A A . 50 LYS H 1 1 10 11729 1 1 50 LYS HA H -6.232 -2.888 4.145 1.00 . A A . 50 LYS HA 1 1 10 11730 1 1 50 LYS HB2 H -5.225 -2.155 6.901 1.00 . A A . 50 LYS HB2 1 1 10 11731 1 1 50 LYS HB3 H -6.590 -3.224 6.608 1.00 . A A . 50 LYS HB3 1 1 10 11732 1 1 50 LYS HD2 H -5.880 -5.147 4.670 1.00 . A A . 50 LYS HD2 1 1 10 11733 1 1 50 LYS HD3 H -4.480 -6.033 5.282 1.00 . A A . 50 LYS HD3 1 1 10 11734 1 1 50 LYS HE2 H -5.591 -6.368 7.473 1.00 . A A . 50 LYS HE2 1 1 10 11735 1 1 50 LYS HE3 H -7.022 -5.511 6.882 1.00 . A A . 50 LYS HE3 1 1 10 11736 1 1 50 LYS HG2 H -3.808 -3.809 5.552 1.00 . A A . 50 LYS HG2 1 1 10 11737 1 1 50 LYS HG3 H -4.320 -4.297 7.145 1.00 . A A . 50 LYS HG3 1 1 10 11738 1 1 50 LYS HZ1 H -7.224 -7.316 5.183 1.00 . A A . 50 LYS HZ1 1 1 10 11739 1 1 50 LYS HZ2 H -6.014 -8.143 5.933 1.00 . A A . 50 LYS HZ2 1 1 10 11740 1 1 50 LYS HZ3 H -7.401 -7.831 6.702 1.00 . A A . 50 LYS HZ3 1 1 10 11741 1 1 50 LYS N N -4.621 -1.564 4.358 1.00 . A A . 50 LYS N 1 1 10 11742 1 1 50 LYS NZ N -6.732 -7.431 6.058 1.00 . A A . 50 LYS NZ 1 1 10 11743 1 1 50 LYS O O -7.628 -0.963 6.031 1.00 . A A . 50 LYS O 1 1 10 11744 1 1 51 THR C C -8.658 0.855 2.524 1.00 . A A . 51 THR C 1 1 10 11745 1 1 51 THR CA C -8.012 0.862 3.901 1.00 . A A . 51 THR CA 1 1 10 11746 1 1 51 THR CB C -7.233 2.145 4.225 1.00 . A A . 51 THR CB 1 1 10 11747 1 1 51 THR CG2 C -8.181 3.301 4.559 1.00 . A A . 51 THR CG2 1 1 10 11748 1 1 51 THR H H -6.578 -0.487 3.124 1.00 . A A . 51 THR H 1 1 10 11749 1 1 51 THR HA H -8.798 0.761 4.641 1.00 . A A . 51 THR HA 1 1 10 11750 1 1 51 THR HB H -6.634 2.444 3.367 1.00 . A A . 51 THR HB 1 1 10 11751 1 1 51 THR HG1 H -6.837 1.958 6.147 1.00 . A A . 51 THR HG1 1 1 10 11752 1 1 51 THR HG21 H -8.913 3.428 3.762 1.00 . A A . 51 THR HG21 1 1 10 11753 1 1 51 THR HG22 H -8.702 3.117 5.499 1.00 . A A . 51 THR HG22 1 1 10 11754 1 1 51 THR HG23 H -7.619 4.231 4.647 1.00 . A A . 51 THR HG23 1 1 10 11755 1 1 51 THR N N -7.127 -0.285 3.952 1.00 . A A . 51 THR N 1 1 10 11756 1 1 51 THR O O -9.862 0.631 2.426 1.00 . A A . 51 THR O 1 1 10 11757 1 1 51 THR OG1 O -6.359 1.876 5.308 1.00 . A A . 51 THR OG1 1 1 10 11758 1 1 52 CYS C C -8.886 -0.540 -0.149 1.00 . A A . 52 CYS C 1 1 10 11759 1 1 52 CYS CA C -8.331 0.854 0.109 1.00 . A A . 52 CYS CA 1 1 10 11760 1 1 52 CYS CB C -7.209 1.079 -0.862 1.00 . A A . 52 CYS CB 1 1 10 11761 1 1 52 CYS H H -6.862 1.175 1.611 1.00 . A A . 52 CYS H 1 1 10 11762 1 1 52 CYS HA H -9.129 1.578 -0.062 1.00 . A A . 52 CYS HA 1 1 10 11763 1 1 52 CYS HB2 H -6.250 0.788 -0.432 1.00 . A A . 52 CYS HB2 1 1 10 11764 1 1 52 CYS HB3 H -7.387 0.456 -1.739 1.00 . A A . 52 CYS HB3 1 1 10 11765 1 1 52 CYS N N -7.850 0.993 1.471 1.00 . A A . 52 CYS N 1 1 10 11766 1 1 52 CYS O O -10.043 -0.692 -0.536 1.00 . A A . 52 CYS O 1 1 10 11767 1 1 52 CYS SG S -7.160 2.784 -1.444 1.00 . A A . 52 CYS SG 1 1 10 11768 1 1 53 HIS C C -9.584 -3.509 -0.129 1.00 . A A . 53 HIS C 1 1 10 11769 1 1 53 HIS CA C -8.282 -2.860 -0.622 1.00 . A A . 53 HIS CA 1 1 10 11770 1 1 53 HIS CB C -7.122 -3.817 -0.347 1.00 . A A . 53 HIS CB 1 1 10 11771 1 1 53 HIS CD2 C -5.362 -2.598 -1.867 1.00 . A A . 53 HIS CD2 1 1 10 11772 1 1 53 HIS CE1 C -3.647 -3.858 -1.376 1.00 . A A . 53 HIS CE1 1 1 10 11773 1 1 53 HIS CG C -5.761 -3.532 -0.937 1.00 . A A . 53 HIS CG 1 1 10 11774 1 1 53 HIS H H -7.095 -1.365 0.323 1.00 . A A . 53 HIS H 1 1 10 11775 1 1 53 HIS HA H -8.367 -2.725 -1.701 1.00 . A A . 53 HIS HA 1 1 10 11776 1 1 53 HIS HB2 H -7.009 -3.910 0.734 1.00 . A A . 53 HIS HB2 1 1 10 11777 1 1 53 HIS HB3 H -7.424 -4.790 -0.740 1.00 . A A . 53 HIS HB3 1 1 10 11778 1 1 53 HIS HD1 H -4.641 -5.122 -0.050 1.00 . A A . 53 HIS HD1 1 1 10 11779 1 1 53 HIS HD2 H -5.939 -1.837 -2.363 1.00 . A A . 53 HIS HD2 1 1 10 11780 1 1 53 HIS HE1 H -2.659 -4.276 -1.369 1.00 . A A . 53 HIS HE1 1 1 10 11781 1 1 53 HIS N N -8.032 -1.560 -0.011 1.00 . A A . 53 HIS N 1 1 10 11782 1 1 53 HIS ND1 N -4.675 -4.317 -0.653 1.00 . A A . 53 HIS ND1 1 1 10 11783 1 1 53 HIS NE2 N -4.004 -2.816 -2.135 1.00 . A A . 53 HIS NE2 1 1 10 11784 1 1 53 HIS O O -10.087 -4.418 -0.781 1.00 . A A . 53 HIS O 1 1 10 11785 1 1 54 LYS C C -12.500 -3.216 0.477 1.00 . A A . 54 LYS C 1 1 10 11786 1 1 54 LYS CA C -11.412 -3.528 1.509 1.00 . A A . 54 LYS CA 1 1 10 11787 1 1 54 LYS CB C -11.713 -2.865 2.861 1.00 . A A . 54 LYS CB 1 1 10 11788 1 1 54 LYS CD C -10.063 -2.313 4.731 1.00 . A A . 54 LYS CD 1 1 10 11789 1 1 54 LYS CE C -10.963 -1.616 5.762 1.00 . A A . 54 LYS CE 1 1 10 11790 1 1 54 LYS CG C -10.780 -3.418 3.950 1.00 . A A . 54 LYS CG 1 1 10 11791 1 1 54 LYS H H -9.674 -2.300 1.484 1.00 . A A . 54 LYS H 1 1 10 11792 1 1 54 LYS HA H -11.394 -4.611 1.645 1.00 . A A . 54 LYS HA 1 1 10 11793 1 1 54 LYS HB2 H -11.608 -1.784 2.758 1.00 . A A . 54 LYS HB2 1 1 10 11794 1 1 54 LYS HB3 H -12.746 -3.081 3.142 1.00 . A A . 54 LYS HB3 1 1 10 11795 1 1 54 LYS HD2 H -9.234 -2.784 5.261 1.00 . A A . 54 LYS HD2 1 1 10 11796 1 1 54 LYS HD3 H -9.661 -1.590 4.019 1.00 . A A . 54 LYS HD3 1 1 10 11797 1 1 54 LYS HE2 H -11.862 -1.228 5.278 1.00 . A A . 54 LYS HE2 1 1 10 11798 1 1 54 LYS HE3 H -11.262 -2.351 6.511 1.00 . A A . 54 LYS HE3 1 1 10 11799 1 1 54 LYS HG2 H -11.349 -4.057 4.629 1.00 . A A . 54 LYS HG2 1 1 10 11800 1 1 54 LYS HG3 H -10.013 -4.040 3.485 1.00 . A A . 54 LYS HG3 1 1 10 11801 1 1 54 LYS HZ1 H -10.670 -0.306 7.337 1.00 . A A . 54 LYS HZ1 1 1 10 11802 1 1 54 LYS HZ2 H -9.266 -0.733 6.564 1.00 . A A . 54 LYS HZ2 1 1 10 11803 1 1 54 LYS HZ3 H -10.309 0.327 5.871 1.00 . A A . 54 LYS HZ3 1 1 10 11804 1 1 54 LYS N N -10.110 -3.086 1.026 1.00 . A A . 54 LYS N 1 1 10 11805 1 1 54 LYS NZ N -10.255 -0.506 6.439 1.00 . A A . 54 LYS NZ 1 1 10 11806 1 1 54 LYS O O -13.373 -4.044 0.228 1.00 . A A . 54 LYS O 1 1 10 11807 1 1 55 SER C C -13.033 -2.286 -2.531 1.00 . A A . 55 SER C 1 1 10 11808 1 1 55 SER CA C -13.384 -1.642 -1.186 1.00 . A A . 55 SER CA 1 1 10 11809 1 1 55 SER CB C -13.370 -0.112 -1.283 1.00 . A A . 55 SER CB 1 1 10 11810 1 1 55 SER H H -11.654 -1.421 0.017 1.00 . A A . 55 SER H 1 1 10 11811 1 1 55 SER HA H -14.390 -1.955 -0.902 1.00 . A A . 55 SER HA 1 1 10 11812 1 1 55 SER HB2 H -12.394 0.218 -1.646 1.00 . A A . 55 SER HB2 1 1 10 11813 1 1 55 SER HB3 H -14.135 0.213 -1.991 1.00 . A A . 55 SER HB3 1 1 10 11814 1 1 55 SER HG H -13.522 1.405 -0.061 1.00 . A A . 55 SER HG 1 1 10 11815 1 1 55 SER N N -12.435 -2.046 -0.159 1.00 . A A . 55 SER N 1 1 10 11816 1 1 55 SER O O -13.010 -1.603 -3.551 1.00 . A A . 55 SER O 1 1 10 11817 1 1 55 SER OG O -13.619 0.451 -0.007 1.00 . A A . 55 SER OG 1 1 10 11818 1 1 56 ASN C C -12.379 -5.832 -3.334 1.00 . A A . 56 ASN C 1 1 10 11819 1 1 56 ASN CA C -12.328 -4.353 -3.707 1.00 . A A . 56 ASN CA 1 1 10 11820 1 1 56 ASN CB C -10.894 -3.979 -4.131 1.00 . A A . 56 ASN CB 1 1 10 11821 1 1 56 ASN CG C -10.849 -2.880 -5.187 1.00 . A A . 56 ASN CG 1 1 10 11822 1 1 56 ASN H H -12.826 -4.123 -1.675 1.00 . A A . 56 ASN H 1 1 10 11823 1 1 56 ASN HA H -13.027 -4.182 -4.528 1.00 . A A . 56 ASN HA 1 1 10 11824 1 1 56 ASN HB2 H -10.307 -3.697 -3.258 1.00 . A A . 56 ASN HB2 1 1 10 11825 1 1 56 ASN HB3 H -10.410 -4.843 -4.586 1.00 . A A . 56 ASN HB3 1 1 10 11826 1 1 56 ASN HD21 H -9.802 -1.626 -3.973 1.00 . A A . 56 ASN HD21 1 1 10 11827 1 1 56 ASN HD22 H -10.193 -1.021 -5.575 1.00 . A A . 56 ASN HD22 1 1 10 11828 1 1 56 ASN N N -12.745 -3.590 -2.539 1.00 . A A . 56 ASN N 1 1 10 11829 1 1 56 ASN ND2 N -10.194 -1.760 -4.891 1.00 . A A . 56 ASN ND2 1 1 10 11830 1 1 56 ASN O O -12.434 -6.175 -2.155 1.00 . A A . 56 ASN O 1 1 10 11831 1 1 56 ASN OD1 O -11.374 -3.049 -6.283 1.00 . A A . 56 ASN OD1 1 1 10 11832 1 1 57 ASN C C -10.493 -8.174 -3.840 1.00 . A A . 57 ASN C 1 1 10 11833 1 1 57 ASN CA C -11.994 -8.112 -4.106 1.00 . A A . 57 ASN CA 1 1 10 11834 1 1 57 ASN CB C -12.365 -8.967 -5.323 1.00 . A A . 57 ASN CB 1 1 10 11835 1 1 57 ASN CG C -13.864 -9.237 -5.385 1.00 . A A . 57 ASN CG 1 1 10 11836 1 1 57 ASN H H -12.242 -6.353 -5.277 1.00 . A A . 57 ASN H 1 1 10 11837 1 1 57 ASN HA H -12.533 -8.487 -3.233 1.00 . A A . 57 ASN HA 1 1 10 11838 1 1 57 ASN HB2 H -12.044 -8.468 -6.239 1.00 . A A . 57 ASN HB2 1 1 10 11839 1 1 57 ASN HB3 H -11.845 -9.924 -5.262 1.00 . A A . 57 ASN HB3 1 1 10 11840 1 1 57 ASN HD21 H -13.711 -10.853 -4.146 1.00 . A A . 57 ASN HD21 1 1 10 11841 1 1 57 ASN HD22 H -15.321 -10.457 -4.720 1.00 . A A . 57 ASN HD22 1 1 10 11842 1 1 57 ASN N N -12.326 -6.711 -4.336 1.00 . A A . 57 ASN N 1 1 10 11843 1 1 57 ASN ND2 N -14.331 -10.268 -4.686 1.00 . A A . 57 ASN ND2 1 1 10 11844 1 1 57 ASN O O -9.724 -7.519 -4.540 1.00 . A A . 57 ASN O 1 1 10 11845 1 1 57 ASN OD1 O -14.604 -8.529 -6.059 1.00 . A A . 57 ASN OD1 1 1 10 11846 1 1 58 GLY C C -8.532 -9.710 -1.098 1.00 . A A . 58 GLY C 1 1 10 11847 1 1 58 GLY CA C -8.675 -8.935 -2.408 1.00 . A A . 58 GLY CA 1 1 10 11848 1 1 58 GLY H H -10.709 -9.457 -2.254 1.00 . A A . 58 GLY H 1 1 10 11849 1 1 58 GLY HA2 H -8.065 -9.414 -3.176 1.00 . A A . 58 GLY HA2 1 1 10 11850 1 1 58 GLY HA3 H -8.357 -7.901 -2.288 1.00 . A A . 58 GLY HA3 1 1 10 11851 1 1 58 GLY N N -10.065 -8.925 -2.824 1.00 . A A . 58 GLY N 1 1 10 11852 1 1 58 GLY O O -9.403 -10.523 -0.784 1.00 . A A . 58 GLY O 1 1 10 11853 1 1 59 PRO C C -8.147 -9.911 1.975 1.00 . A A . 59 PRO C 1 1 10 11854 1 1 59 PRO CA C -7.155 -10.244 0.868 1.00 . A A . 59 PRO CA 1 1 10 11855 1 1 59 PRO CB C -5.731 -9.846 1.255 1.00 . A A . 59 PRO CB 1 1 10 11856 1 1 59 PRO CD C -6.433 -8.473 -0.567 1.00 . A A . 59 PRO CD 1 1 10 11857 1 1 59 PRO CG C -5.624 -8.413 0.728 1.00 . A A . 59 PRO CG 1 1 10 11858 1 1 59 PRO HA H -7.192 -11.320 0.679 1.00 . A A . 59 PRO HA 1 1 10 11859 1 1 59 PRO HB2 H -5.547 -9.919 2.328 1.00 . A A . 59 PRO HB2 1 1 10 11860 1 1 59 PRO HB3 H -5.047 -10.497 0.712 1.00 . A A . 59 PRO HB3 1 1 10 11861 1 1 59 PRO HD2 H -6.857 -7.488 -0.763 1.00 . A A . 59 PRO HD2 1 1 10 11862 1 1 59 PRO HD3 H -5.794 -8.782 -1.396 1.00 . A A . 59 PRO HD3 1 1 10 11863 1 1 59 PRO HG2 H -6.115 -7.735 1.428 1.00 . A A . 59 PRO HG2 1 1 10 11864 1 1 59 PRO HG3 H -4.601 -8.084 0.553 1.00 . A A . 59 PRO HG3 1 1 10 11865 1 1 59 PRO N N -7.451 -9.486 -0.336 1.00 . A A . 59 PRO N 1 1 10 11866 1 1 59 PRO O O -8.402 -8.745 2.276 1.00 . A A . 59 PRO O 1 1 10 11867 1 1 60 THR C C -8.764 -10.498 4.946 1.00 . A A . 60 THR C 1 1 10 11868 1 1 60 THR CA C -9.596 -10.858 3.712 1.00 . A A . 60 THR CA 1 1 10 11869 1 1 60 THR CB C -10.263 -12.243 3.820 1.00 . A A . 60 THR CB 1 1 10 11870 1 1 60 THR CG2 C -11.253 -12.468 2.671 1.00 . A A . 60 THR CG2 1 1 10 11871 1 1 60 THR H H -8.370 -11.897 2.392 1.00 . A A . 60 THR H 1 1 10 11872 1 1 60 THR HA H -10.348 -10.088 3.534 1.00 . A A . 60 THR HA 1 1 10 11873 1 1 60 THR HB H -10.797 -12.333 4.768 1.00 . A A . 60 THR HB 1 1 10 11874 1 1 60 THR HG1 H -9.635 -14.041 3.348 1.00 . A A . 60 THR HG1 1 1 10 11875 1 1 60 THR HG21 H -12.035 -11.709 2.701 1.00 . A A . 60 THR HG21 1 1 10 11876 1 1 60 THR HG22 H -10.744 -12.414 1.707 1.00 . A A . 60 THR HG22 1 1 10 11877 1 1 60 THR HG23 H -11.719 -13.450 2.769 1.00 . A A . 60 THR HG23 1 1 10 11878 1 1 60 THR N N -8.673 -10.954 2.607 1.00 . A A . 60 THR N 1 1 10 11879 1 1 60 THR O O -8.740 -9.360 5.424 1.00 . A A . 60 THR O 1 1 10 11880 1 1 60 THR OG1 O -9.253 -13.240 3.720 1.00 . A A . 60 THR OG1 1 1 10 11881 1 1 61 LYS C C -5.767 -11.009 6.080 1.00 . A A . 61 LYS C 1 1 10 11882 1 1 61 LYS CA C -7.160 -11.403 6.576 1.00 . A A . 61 LYS CA 1 1 10 11883 1 1 61 LYS CB C -7.224 -12.710 7.386 1.00 . A A . 61 LYS CB 1 1 10 11884 1 1 61 LYS CD C -8.765 -14.211 8.749 1.00 . A A . 61 LYS CD 1 1 10 11885 1 1 61 LYS CE C -10.210 -14.384 9.250 1.00 . A A . 61 LYS CE 1 1 10 11886 1 1 61 LYS CG C -8.653 -12.929 7.914 1.00 . A A . 61 LYS CG 1 1 10 11887 1 1 61 LYS H H -8.078 -12.368 4.898 1.00 . A A . 61 LYS H 1 1 10 11888 1 1 61 LYS HA H -7.507 -10.604 7.233 1.00 . A A . 61 LYS HA 1 1 10 11889 1 1 61 LYS HB2 H -6.941 -13.560 6.763 1.00 . A A . 61 LYS HB2 1 1 10 11890 1 1 61 LYS HB3 H -6.534 -12.640 8.229 1.00 . A A . 61 LYS HB3 1 1 10 11891 1 1 61 LYS HD2 H -8.477 -15.060 8.125 1.00 . A A . 61 LYS HD2 1 1 10 11892 1 1 61 LYS HD3 H -8.077 -14.143 9.595 1.00 . A A . 61 LYS HD3 1 1 10 11893 1 1 61 LYS HE2 H -10.477 -13.530 9.876 1.00 . A A . 61 LYS HE2 1 1 10 11894 1 1 61 LYS HE3 H -10.888 -14.407 8.394 1.00 . A A . 61 LYS HE3 1 1 10 11895 1 1 61 LYS HG2 H -8.939 -12.070 8.526 1.00 . A A . 61 LYS HG2 1 1 10 11896 1 1 61 LYS HG3 H -9.341 -13.001 7.071 1.00 . A A . 61 LYS HG3 1 1 10 11897 1 1 61 LYS HZ1 H -10.185 -16.435 9.464 1.00 . A A . 61 LYS HZ1 1 1 10 11898 1 1 61 LYS HZ2 H -9.793 -15.625 10.844 1.00 . A A . 61 LYS HZ2 1 1 10 11899 1 1 61 LYS HZ3 H -11.355 -15.692 10.343 1.00 . A A . 61 LYS HZ3 1 1 10 11900 1 1 61 LYS N N -8.034 -11.500 5.427 1.00 . A A . 61 LYS N 1 1 10 11901 1 1 61 LYS NZ N -10.395 -15.626 10.032 1.00 . A A . 61 LYS NZ 1 1 10 11902 1 1 61 LYS O O -5.484 -9.806 5.990 1.00 . A A . 61 LYS O 1 1 10 11903 1 1 62 CYS C C -3.135 -12.343 4.064 1.00 . A A . 62 CYS C 1 1 10 11904 1 1 62 CYS CA C -3.514 -11.795 5.440 1.00 . A A . 62 CYS CA 1 1 10 11905 1 1 62 CYS CB C -2.616 -12.331 6.540 1.00 . A A . 62 CYS CB 1 1 10 11906 1 1 62 CYS H H -5.282 -12.937 5.700 1.00 . A A . 62 CYS H 1 1 10 11907 1 1 62 CYS HA H -3.343 -10.741 5.328 1.00 . A A . 62 CYS HA 1 1 10 11908 1 1 62 CYS HB2 H -2.461 -13.397 6.370 1.00 . A A . 62 CYS HB2 1 1 10 11909 1 1 62 CYS HB3 H -1.652 -11.822 6.483 1.00 . A A . 62 CYS HB3 1 1 10 11910 1 1 62 CYS N N -4.927 -11.995 5.745 1.00 . A A . 62 CYS N 1 1 10 11911 1 1 62 CYS O O -3.991 -12.491 3.194 1.00 . A A . 62 CYS O 1 1 10 11912 1 1 62 CYS SG S -3.251 -12.180 8.238 1.00 . A A . 62 CYS SG 1 1 10 11913 1 1 63 GLY C C -1.138 -12.141 1.532 1.00 . A A . 63 GLY C 1 1 10 11914 1 1 63 GLY CA C -1.318 -13.191 2.621 1.00 . A A . 63 GLY CA 1 1 10 11915 1 1 63 GLY H H -1.169 -12.322 4.549 1.00 . A A . 63 GLY H 1 1 10 11916 1 1 63 GLY HA2 H -0.353 -13.649 2.841 1.00 . A A . 63 GLY HA2 1 1 10 11917 1 1 63 GLY HA3 H -1.998 -13.967 2.265 1.00 . A A . 63 GLY HA3 1 1 10 11918 1 1 63 GLY N N -1.838 -12.582 3.839 1.00 . A A . 63 GLY N 1 1 10 11919 1 1 63 GLY O O -0.052 -11.996 0.983 1.00 . A A . 63 GLY O 1 1 10 11920 1 1 64 GLY C C -1.022 -9.630 -0.078 1.00 . A A . 64 GLY C 1 1 10 11921 1 1 64 GLY CA C -2.325 -10.349 0.258 1.00 . A A . 64 GLY CA 1 1 10 11922 1 1 64 GLY H H -3.054 -11.639 1.778 1.00 . A A . 64 GLY H 1 1 10 11923 1 1 64 GLY HA2 H -2.777 -10.752 -0.648 1.00 . A A . 64 GLY HA2 1 1 10 11924 1 1 64 GLY HA3 H -2.981 -9.595 0.687 1.00 . A A . 64 GLY HA3 1 1 10 11925 1 1 64 GLY N N -2.215 -11.398 1.262 1.00 . A A . 64 GLY N 1 1 10 11926 1 1 64 GLY O O -0.598 -9.592 -1.229 1.00 . A A . 64 GLY O 1 1 10 11927 1 1 65 CYS C C 1.942 -8.717 1.309 1.00 . A A . 65 CYS C 1 1 10 11928 1 1 65 CYS CA C 0.662 -8.063 0.799 1.00 . A A . 65 CYS CA 1 1 10 11929 1 1 65 CYS CB C 0.318 -6.807 1.560 1.00 . A A . 65 CYS CB 1 1 10 11930 1 1 65 CYS H H -0.885 -9.066 1.841 1.00 . A A . 65 CYS H 1 1 10 11931 1 1 65 CYS HA H 0.808 -7.799 -0.249 1.00 . A A . 65 CYS HA 1 1 10 11932 1 1 65 CYS HB2 H 0.418 -7.021 2.622 1.00 . A A . 65 CYS HB2 1 1 10 11933 1 1 65 CYS HB3 H 1.007 -6.005 1.299 1.00 . A A . 65 CYS HB3 1 1 10 11934 1 1 65 CYS N N -0.442 -8.999 0.942 1.00 . A A . 65 CYS N 1 1 10 11935 1 1 65 CYS O O 2.973 -8.699 0.641 1.00 . A A . 65 CYS O 1 1 10 11936 1 1 65 CYS SG S -1.401 -6.308 1.185 1.00 . A A . 65 CYS SG 1 1 10 11937 1 1 66 HIS C C 3.201 -11.331 2.335 1.00 . A A . 66 HIS C 1 1 10 11938 1 1 66 HIS CA C 3.011 -10.012 3.073 1.00 . A A . 66 HIS CA 1 1 10 11939 1 1 66 HIS CB C 2.806 -10.289 4.569 1.00 . A A . 66 HIS CB 1 1 10 11940 1 1 66 HIS CD2 C 1.521 -8.570 5.946 1.00 . A A . 66 HIS CD2 1 1 10 11941 1 1 66 HIS CE1 C 3.162 -7.327 6.662 1.00 . A A . 66 HIS CE1 1 1 10 11942 1 1 66 HIS CG C 2.681 -9.063 5.423 1.00 . A A . 66 HIS CG 1 1 10 11943 1 1 66 HIS H H 0.999 -9.326 2.997 1.00 . A A . 66 HIS H 1 1 10 11944 1 1 66 HIS HA H 3.900 -9.395 2.948 1.00 . A A . 66 HIS HA 1 1 10 11945 1 1 66 HIS HB2 H 1.928 -10.920 4.706 1.00 . A A . 66 HIS HB2 1 1 10 11946 1 1 66 HIS HB3 H 3.668 -10.853 4.923 1.00 . A A . 66 HIS HB3 1 1 10 11947 1 1 66 HIS HD1 H 4.702 -8.398 5.663 1.00 . A A . 66 HIS HD1 1 1 10 11948 1 1 66 HIS HD2 H 0.531 -8.949 5.817 1.00 . A A . 66 HIS HD2 1 1 10 11949 1 1 66 HIS HE1 H 3.700 -6.549 7.172 1.00 . A A . 66 HIS HE1 1 1 10 11950 1 1 66 HIS N N 1.877 -9.310 2.505 1.00 . A A . 66 HIS N 1 1 10 11951 1 1 66 HIS ND1 N 3.713 -8.289 5.891 1.00 . A A . 66 HIS ND1 1 1 10 11952 1 1 66 HIS NE2 N 1.827 -7.459 6.720 1.00 . A A . 66 HIS NE2 1 1 10 11953 1 1 66 HIS O O 2.624 -12.336 2.749 1.00 . A A . 66 HIS O 1 1 10 11954 1 1 67 ILE C C 5.070 -13.483 1.671 1.00 . A A . 67 ILE C 1 1 10 11955 1 1 67 ILE CA C 4.462 -12.554 0.615 1.00 . A A . 67 ILE CA 1 1 10 11956 1 1 67 ILE CB C 5.471 -12.225 -0.502 1.00 . A A . 67 ILE CB 1 1 10 11957 1 1 67 ILE CD1 C 3.604 -11.535 -2.150 1.00 . A A . 67 ILE CD1 1 1 10 11958 1 1 67 ILE CG1 C 4.949 -11.179 -1.505 1.00 . A A . 67 ILE CG1 1 1 10 11959 1 1 67 ILE CG2 C 5.898 -13.509 -1.232 1.00 . A A . 67 ILE CG2 1 1 10 11960 1 1 67 ILE H H 4.379 -10.439 0.964 1.00 . A A . 67 ILE H 1 1 10 11961 1 1 67 ILE HA H 3.592 -13.042 0.174 1.00 . A A . 67 ILE HA 1 1 10 11962 1 1 67 ILE HB H 6.367 -11.797 -0.045 1.00 . A A . 67 ILE HB 1 1 10 11963 1 1 67 ILE HD11 H 3.661 -12.499 -2.655 1.00 . A A . 67 ILE HD11 1 1 10 11964 1 1 67 ILE HD12 H 2.814 -11.559 -1.399 1.00 . A A . 67 ILE HD12 1 1 10 11965 1 1 67 ILE HD13 H 3.353 -10.770 -2.886 1.00 . A A . 67 ILE HD13 1 1 10 11966 1 1 67 ILE HG12 H 4.845 -10.215 -1.007 1.00 . A A . 67 ILE HG12 1 1 10 11967 1 1 67 ILE HG13 H 5.689 -11.058 -2.298 1.00 . A A . 67 ILE HG13 1 1 10 11968 1 1 67 ILE HG21 H 6.433 -14.171 -0.550 1.00 . A A . 67 ILE HG21 1 1 10 11969 1 1 67 ILE HG22 H 5.028 -14.038 -1.618 1.00 . A A . 67 ILE HG22 1 1 10 11970 1 1 67 ILE HG23 H 6.564 -13.262 -2.058 1.00 . A A . 67 ILE HG23 1 1 10 11971 1 1 67 ILE N N 4.024 -11.334 1.284 1.00 . A A . 67 ILE N 1 1 10 11972 1 1 67 ILE O O 6.179 -13.230 2.143 1.00 . A A . 67 ILE O 1 1 10 11973 1 1 68 LYS C C 5.618 -16.438 2.854 1.00 . A A . 68 LYS C 1 1 10 11974 1 1 68 LYS CA C 4.652 -15.318 3.237 1.00 . A A . 68 LYS CA 1 1 10 11975 1 1 68 LYS CB C 3.367 -15.869 3.884 1.00 . A A . 68 LYS CB 1 1 10 11976 1 1 68 LYS CD C 4.364 -15.663 6.181 1.00 . A A . 68 LYS CD 1 1 10 11977 1 1 68 LYS CE C 4.519 -16.227 7.592 1.00 . A A . 68 LYS CE 1 1 10 11978 1 1 68 LYS CG C 3.617 -16.590 5.218 1.00 . A A . 68 LYS CG 1 1 10 11979 1 1 68 LYS H H 3.380 -14.596 1.708 1.00 . A A . 68 LYS H 1 1 10 11980 1 1 68 LYS HA H 5.154 -14.650 3.932 1.00 . A A . 68 LYS HA 1 1 10 11981 1 1 68 LYS HB2 H 2.680 -15.041 4.060 1.00 . A A . 68 LYS HB2 1 1 10 11982 1 1 68 LYS HB3 H 2.895 -16.568 3.190 1.00 . A A . 68 LYS HB3 1 1 10 11983 1 1 68 LYS HD2 H 5.378 -15.525 5.802 1.00 . A A . 68 LYS HD2 1 1 10 11984 1 1 68 LYS HD3 H 3.853 -14.698 6.207 1.00 . A A . 68 LYS HD3 1 1 10 11985 1 1 68 LYS HE2 H 3.544 -16.478 8.015 1.00 . A A . 68 LYS HE2 1 1 10 11986 1 1 68 LYS HE3 H 5.126 -17.133 7.534 1.00 . A A . 68 LYS HE3 1 1 10 11987 1 1 68 LYS HG2 H 2.654 -16.881 5.640 1.00 . A A . 68 LYS HG2 1 1 10 11988 1 1 68 LYS HG3 H 4.209 -17.491 5.039 1.00 . A A . 68 LYS HG3 1 1 10 11989 1 1 68 LYS HZ1 H 4.533 -14.543 8.754 1.00 . A A . 68 LYS HZ1 1 1 10 11990 1 1 68 LYS HZ2 H 5.639 -15.671 9.241 1.00 . A A . 68 LYS HZ2 1 1 10 11991 1 1 68 LYS HZ3 H 5.895 -14.733 7.888 1.00 . A A . 68 LYS HZ3 1 1 10 11992 1 1 68 LYS N N 4.304 -14.492 2.096 1.00 . A A . 68 LYS N 1 1 10 11993 1 1 68 LYS NZ N 5.199 -15.233 8.445 1.00 . A A . 68 LYS NZ 1 1 10 11994 1 1 68 LYS O O 6.376 -16.854 3.759 1.00 . A A . 68 LYS O 1 1 10 11995 1 1 68 LYS OXT O 5.552 -16.886 1.688 1.00 . A A . 68 LYS OXT 1 1 10 11996 2 2 1 HEC C1A C 7.346 8.234 -3.470 1.00 . B A . 69 HEC C1A 1 1 10 11997 2 2 1 HEC C1B C 4.914 9.158 -6.862 1.00 . B A . 69 HEC C1B 1 1 10 11998 2 2 1 HEC C1C C 2.012 6.281 -5.602 1.00 . B A . 69 HEC C1C 1 1 10 11999 2 2 1 HEC C1D C 4.295 5.605 -2.102 1.00 . B A . 69 HEC C1D 1 1 10 12000 2 2 1 HEC C2A C 8.432 9.125 -3.800 1.00 . B A . 69 HEC C2A 1 1 10 12001 2 2 1 HEC C2B C 4.207 9.596 -8.044 1.00 . B A . 69 HEC C2B 1 1 10 12002 2 2 1 HEC C2C C 0.881 5.461 -5.239 1.00 . B A . 69 HEC C2C 1 1 10 12003 2 2 1 HEC C2D C 4.972 5.202 -0.903 1.00 . B A . 69 HEC C2D 1 1 10 12004 2 2 1 HEC C3A C 8.080 9.764 -4.960 1.00 . B A . 69 HEC C3A 1 1 10 12005 2 2 1 HEC C3B C 3.056 8.849 -8.131 1.00 . B A . 69 HEC C3B 1 1 10 12006 2 2 1 HEC C3C C 1.126 4.971 -3.976 1.00 . B A . 69 HEC C3C 1 1 10 12007 2 2 1 HEC C3D C 6.193 5.811 -0.905 1.00 . B A . 69 HEC C3D 1 1 10 12008 2 2 1 HEC C4A C 6.777 9.265 -5.339 1.00 . B A . 69 HEC C4A 1 1 10 12009 2 2 1 HEC C4B C 3.096 7.887 -7.048 1.00 . B A . 69 HEC C4B 1 1 10 12010 2 2 1 HEC C4C C 2.440 5.450 -3.600 1.00 . B A . 69 HEC C4C 1 1 10 12011 2 2 1 HEC C4D C 6.260 6.625 -2.084 1.00 . B A . 69 HEC C4D 1 1 10 12012 2 2 1 HEC CAA C 9.751 9.271 -3.076 1.00 . B A . 69 HEC CAA 1 1 10 12013 2 2 1 HEC CAB C 1.816 9.222 -8.930 1.00 . B A . 69 HEC CAB 1 1 10 12014 2 2 1 HEC CAC C 0.132 4.280 -3.049 1.00 . B A . 69 HEC CAC 1 1 10 12015 2 2 1 HEC CAD C 7.176 5.789 0.220 1.00 . B A . 69 HEC CAD 1 1 10 12016 2 2 1 HEC CBA C 10.826 8.334 -3.640 1.00 . B A . 69 HEC CBA 1 1 10 12017 2 2 1 HEC CBB C 2.038 9.573 -10.406 1.00 . B A . 69 HEC CBB 1 1 10 12018 2 2 1 HEC CBC C -0.278 2.864 -3.467 1.00 . B A . 69 HEC CBC 1 1 10 12019 2 2 1 HEC CBD C 8.086 4.565 0.268 1.00 . B A . 69 HEC CBD 1 1 10 12020 2 2 1 HEC CGA C 12.186 8.584 -2.984 1.00 . B A . 69 HEC CGA 1 1 10 12021 2 2 1 HEC CGD C 9.100 4.778 1.384 1.00 . B A . 69 HEC CGD 1 1 10 12022 2 2 1 HEC CHA C 7.329 7.429 -2.365 1.00 . B A . 69 HEC CHA 1 1 10 12023 2 2 1 HEC CHB C 6.102 9.717 -6.437 1.00 . B A . 69 HEC CHB 1 1 10 12024 2 2 1 HEC CHC C 2.068 7.004 -6.769 1.00 . B A . 69 HEC CHC 1 1 10 12025 2 2 1 HEC CHD C 3.048 5.149 -2.407 1.00 . B A . 69 HEC CHD 1 1 10 12026 2 2 1 HEC CMA C 8.906 10.791 -5.699 1.00 . B A . 69 HEC CMA 1 1 10 12027 2 2 1 HEC CMB C 4.609 10.707 -8.992 1.00 . B A . 69 HEC CMB 1 1 10 12028 2 2 1 HEC CMC C -0.378 5.303 -6.065 1.00 . B A . 69 HEC CMC 1 1 10 12029 2 2 1 HEC CMD C 4.415 4.336 0.187 1.00 . B A . 69 HEC CMD 1 1 10 12030 2 2 1 HEC FE FE 4.670 7.281 -4.550 1.00 . B A . 69 HEC FE 1 1 10 12031 2 2 1 HEC HAA1 H 10.110 10.296 -3.163 1.00 . B A . 69 HEC HAA1 1 1 10 12032 2 2 1 HEC HAA2 H 9.644 9.056 -2.016 1.00 . B A . 69 HEC HAA2 1 1 10 12033 2 2 1 HEC HAB H 1.129 8.383 -8.941 1.00 . B A . 69 HEC HAB 1 1 10 12034 2 2 1 HEC HAC H 0.552 4.186 -2.053 1.00 . B A . 69 HEC HAC 1 1 10 12035 2 2 1 HEC HAD1 H 7.804 6.671 0.206 1.00 . B A . 69 HEC HAD1 1 1 10 12036 2 2 1 HEC HAD2 H 6.598 5.843 1.128 1.00 . B A . 69 HEC HAD2 1 1 10 12037 2 2 1 HEC HBA1 H 10.521 7.302 -3.462 1.00 . B A . 69 HEC HBA1 1 1 10 12038 2 2 1 HEC HBA2 H 10.902 8.490 -4.717 1.00 . B A . 69 HEC HBA2 1 1 10 12039 2 2 1 HEC HBB1 H 2.418 10.586 -10.519 1.00 . B A . 69 HEC HBB1 1 1 10 12040 2 2 1 HEC HBB2 H 2.731 8.863 -10.859 1.00 . B A . 69 HEC HBB2 1 1 10 12041 2 2 1 HEC HBB3 H 1.089 9.510 -10.940 1.00 . B A . 69 HEC HBB3 1 1 10 12042 2 2 1 HEC HBC1 H -0.832 2.387 -2.658 1.00 . B A . 69 HEC HBC1 1 1 10 12043 2 2 1 HEC HBC2 H -0.919 2.893 -4.341 1.00 . B A . 69 HEC HBC2 1 1 10 12044 2 2 1 HEC HBC3 H 0.605 2.262 -3.688 1.00 . B A . 69 HEC HBC3 1 1 10 12045 2 2 1 HEC HBD1 H 7.502 3.667 0.464 1.00 . B A . 69 HEC HBD1 1 1 10 12046 2 2 1 HEC HBD2 H 8.601 4.462 -0.689 1.00 . B A . 69 HEC HBD2 1 1 10 12047 2 2 1 HEC HHA H 8.167 7.412 -1.696 1.00 . B A . 69 HEC HHA 1 1 10 12048 2 2 1 HEC HHB H 6.524 10.551 -6.953 1.00 . B A . 69 HEC HHB 1 1 10 12049 2 2 1 HEC HHC H 1.235 6.929 -7.437 1.00 . B A . 69 HEC HHC 1 1 10 12050 2 2 1 HEC HHD H 2.562 4.512 -1.690 1.00 . B A . 69 HEC HHD 1 1 10 12051 2 2 1 HEC HMA1 H 8.834 10.625 -6.773 1.00 . B A . 69 HEC HMA1 1 1 10 12052 2 2 1 HEC HMA2 H 8.551 11.793 -5.453 1.00 . B A . 69 HEC HMA2 1 1 10 12053 2 2 1 HEC HMA3 H 9.955 10.706 -5.417 1.00 . B A . 69 HEC HMA3 1 1 10 12054 2 2 1 HEC HMB1 H 5.574 11.141 -8.751 1.00 . B A . 69 HEC HMB1 1 1 10 12055 2 2 1 HEC HMB2 H 4.666 10.308 -10.003 1.00 . B A . 69 HEC HMB2 1 1 10 12056 2 2 1 HEC HMB3 H 3.856 11.494 -8.943 1.00 . B A . 69 HEC HMB3 1 1 10 12057 2 2 1 HEC HMC1 H -0.136 4.779 -6.986 1.00 . B A . 69 HEC HMC1 1 1 10 12058 2 2 1 HEC HMC2 H -1.148 4.753 -5.530 1.00 . B A . 69 HEC HMC2 1 1 10 12059 2 2 1 HEC HMC3 H -0.772 6.290 -6.302 1.00 . B A . 69 HEC HMC3 1 1 10 12060 2 2 1 HEC HMD1 H 3.902 3.472 -0.224 1.00 . B A . 69 HEC HMD1 1 1 10 12061 2 2 1 HEC HMD2 H 5.207 3.995 0.850 1.00 . B A . 69 HEC HMD2 1 1 10 12062 2 2 1 HEC HMD3 H 3.704 4.940 0.736 1.00 . B A . 69 HEC HMD3 1 1 10 12063 2 2 1 HEC NA N 6.391 8.340 -4.435 1.00 . B A . 69 HEC NA 1 1 10 12064 2 2 1 HEC NB N 4.213 8.137 -6.300 1.00 . B A . 69 HEC NB 1 1 10 12065 2 2 1 HEC NC N 2.920 6.241 -4.602 1.00 . B A . 69 HEC NC 1 1 10 12066 2 2 1 HEC ND N 5.110 6.455 -2.782 1.00 . B A . 69 HEC ND 1 1 10 12067 2 2 1 HEC O1A O 12.220 8.570 -1.734 1.00 . B A . 69 HEC O1A 1 1 10 12068 2 2 1 HEC O1D O 8.798 5.581 2.302 1.00 . B A . 69 HEC O1D 1 1 10 12069 2 2 1 HEC O2A O 13.159 8.806 -3.737 1.00 . B A . 69 HEC O2A 1 1 10 12070 2 2 1 HEC O2D O 10.242 4.275 1.299 1.00 . B A . 69 HEC O2D 1 1 10 12071 3 2 1 HEC C1A C -2.191 -4.465 -4.856 1.00 . C A . 70 HEC C1A 1 1 10 12072 3 2 1 HEC C1B C -0.527 -2.503 -1.455 1.00 . C A . 70 HEC C1B 1 1 10 12073 3 2 1 HEC C1C C -3.342 0.694 -1.913 1.00 . C A . 70 HEC C1C 1 1 10 12074 3 2 1 HEC C1D C -5.093 -1.312 -5.240 1.00 . C A . 70 HEC C1D 1 1 10 12075 3 2 1 HEC C2A C -1.356 -5.645 -4.789 1.00 . C A . 70 HEC C2A 1 1 10 12076 3 2 1 HEC C2B C 0.093 -1.992 -0.259 1.00 . C A . 70 HEC C2B 1 1 10 12077 3 2 1 HEC C2C C -4.175 1.871 -1.968 1.00 . C A . 70 HEC C2C 1 1 10 12078 3 2 1 HEC C2D C -5.737 -1.846 -6.419 1.00 . C A . 70 HEC C2D 1 1 10 12079 3 2 1 HEC C3A C -0.475 -5.460 -3.752 1.00 . C A . 70 HEC C3A 1 1 10 12080 3 2 1 HEC C3B C -0.509 -0.791 0.036 1.00 . C A . 70 HEC C3B 1 1 10 12081 3 2 1 HEC C3C C -5.141 1.646 -2.923 1.00 . C A . 70 HEC C3C 1 1 10 12082 3 2 1 HEC C3D C -5.013 -2.945 -6.812 1.00 . C A . 70 HEC C3D 1 1 10 12083 3 2 1 HEC C4A C -0.809 -4.205 -3.129 1.00 . C A . 70 HEC C4A 1 1 10 12084 3 2 1 HEC C4B C -1.527 -0.580 -0.971 1.00 . C A . 70 HEC C4B 1 1 10 12085 3 2 1 HEC C4C C -4.785 0.397 -3.569 1.00 . C A . 70 HEC C4C 1 1 10 12086 3 2 1 HEC C4D C -4.022 -3.190 -5.790 1.00 . C A . 70 HEC C4D 1 1 10 12087 3 2 1 HEC CAA C -1.511 -6.922 -5.586 1.00 . C A . 70 HEC CAA 1 1 10 12088 3 2 1 HEC CAB C -0.137 0.147 1.178 1.00 . C A . 70 HEC CAB 1 1 10 12089 3 2 1 HEC CAC C -6.459 2.405 -3.074 1.00 . C A . 70 HEC CAC 1 1 10 12090 3 2 1 HEC CAD C -5.094 -3.610 -8.172 1.00 . C A . 70 HEC CAD 1 1 10 12091 3 2 1 HEC CBA C -0.546 -7.064 -6.766 1.00 . C A . 70 HEC CBA 1 1 10 12092 3 2 1 HEC CBB C 1.278 0.714 1.019 1.00 . C A . 70 HEC CBB 1 1 10 12093 3 2 1 HEC CBC C -6.421 3.680 -3.914 1.00 . C A . 70 HEC CBC 1 1 10 12094 3 2 1 HEC CBD C -4.007 -3.082 -9.125 1.00 . C A . 70 HEC CBD 1 1 10 12095 3 2 1 HEC CGA C -0.609 -8.485 -7.339 1.00 . C A . 70 HEC CGA 1 1 10 12096 3 2 1 HEC CGD C -4.155 -3.541 -10.582 1.00 . C A . 70 HEC CGD 1 1 10 12097 3 2 1 HEC CHA C -3.161 -4.266 -5.813 1.00 . C A . 70 HEC CHA 1 1 10 12098 3 2 1 HEC CHB C -0.169 -3.708 -2.017 1.00 . C A . 70 HEC CHB 1 1 10 12099 3 2 1 HEC CHC C -2.344 0.524 -0.986 1.00 . C A . 70 HEC CHC 1 1 10 12100 3 2 1 HEC CHD C -5.477 -0.136 -4.627 1.00 . C A . 70 HEC CHD 1 1 10 12101 3 2 1 HEC CMA C 0.615 -6.413 -3.320 1.00 . C A . 70 HEC CMA 1 1 10 12102 3 2 1 HEC CMB C 1.125 -2.724 0.563 1.00 . C A . 70 HEC CMB 1 1 10 12103 3 2 1 HEC CMC C -4.000 3.114 -1.126 1.00 . C A . 70 HEC CMC 1 1 10 12104 3 2 1 HEC CMD C -6.952 -1.301 -7.138 1.00 . C A . 70 HEC CMD 1 1 10 12105 3 2 1 HEC FE FE -2.767 -1.895 -3.364 1.00 . C A . 70 HEC FE 1 1 10 12106 3 2 1 HEC HAA1 H -1.336 -7.767 -4.917 1.00 . C A . 70 HEC HAA1 1 1 10 12107 3 2 1 HEC HAA2 H -2.528 -7.025 -5.962 1.00 . C A . 70 HEC HAA2 1 1 10 12108 3 2 1 HEC HAB H -0.795 1.008 1.221 1.00 . C A . 70 HEC HAB 1 1 10 12109 3 2 1 HEC HAC H -7.194 1.759 -3.552 1.00 . C A . 70 HEC HAC 1 1 10 12110 3 2 1 HEC HAD1 H -4.998 -4.691 -8.085 1.00 . C A . 70 HEC HAD1 1 1 10 12111 3 2 1 HEC HAD2 H -6.066 -3.407 -8.622 1.00 . C A . 70 HEC HAD2 1 1 10 12112 3 2 1 HEC HBA1 H -0.808 -6.330 -7.531 1.00 . C A . 70 HEC HBA1 1 1 10 12113 3 2 1 HEC HBA2 H 0.472 -6.861 -6.429 1.00 . C A . 70 HEC HBA2 1 1 10 12114 3 2 1 HEC HBB1 H 1.258 1.540 0.307 1.00 . C A . 70 HEC HBB1 1 1 10 12115 3 2 1 HEC HBB2 H 1.650 1.070 1.978 1.00 . C A . 70 HEC HBB2 1 1 10 12116 3 2 1 HEC HBB3 H 1.961 -0.040 0.633 1.00 . C A . 70 HEC HBB3 1 1 10 12117 3 2 1 HEC HBC1 H -6.460 3.405 -4.965 1.00 . C A . 70 HEC HBC1 1 1 10 12118 3 2 1 HEC HBC2 H -7.299 4.291 -3.703 1.00 . C A . 70 HEC HBC2 1 1 10 12119 3 2 1 HEC HBC3 H -5.526 4.258 -3.694 1.00 . C A . 70 HEC HBC3 1 1 10 12120 3 2 1 HEC HBD1 H -4.045 -1.991 -9.115 1.00 . C A . 70 HEC HBD1 1 1 10 12121 3 2 1 HEC HBD2 H -3.032 -3.394 -8.748 1.00 . C A . 70 HEC HBD2 1 1 10 12122 3 2 1 HEC HHA H -3.245 -4.979 -6.614 1.00 . C A . 70 HEC HHA 1 1 10 12123 3 2 1 HEC HHB H 0.622 -4.282 -1.562 1.00 . C A . 70 HEC HHB 1 1 10 12124 3 2 1 HEC HHC H -2.222 1.257 -0.211 1.00 . C A . 70 HEC HHC 1 1 10 12125 3 2 1 HEC HHD H -6.288 0.432 -5.033 1.00 . C A . 70 HEC HHD 1 1 10 12126 3 2 1 HEC HMA1 H 0.315 -6.911 -2.400 1.00 . C A . 70 HEC HMA1 1 1 10 12127 3 2 1 HEC HMA2 H 0.787 -7.168 -4.088 1.00 . C A . 70 HEC HMA2 1 1 10 12128 3 2 1 HEC HMA3 H 1.546 -5.869 -3.163 1.00 . C A . 70 HEC HMA3 1 1 10 12129 3 2 1 HEC HMB1 H 1.944 -3.051 -0.072 1.00 . C A . 70 HEC HMB1 1 1 10 12130 3 2 1 HEC HMB2 H 1.524 -2.081 1.338 1.00 . C A . 70 HEC HMB2 1 1 10 12131 3 2 1 HEC HMB3 H 0.654 -3.591 1.022 1.00 . C A . 70 HEC HMB3 1 1 10 12132 3 2 1 HEC HMC1 H -4.549 3.949 -1.562 1.00 . C A . 70 HEC HMC1 1 1 10 12133 3 2 1 HEC HMC2 H -4.373 2.929 -0.119 1.00 . C A . 70 HEC HMC2 1 1 10 12134 3 2 1 HEC HMC3 H -2.946 3.388 -1.086 1.00 . C A . 70 HEC HMC3 1 1 10 12135 3 2 1 HEC HMD1 H -7.712 -2.082 -7.187 1.00 . C A . 70 HEC HMD1 1 1 10 12136 3 2 1 HEC HMD2 H -7.381 -0.435 -6.638 1.00 . C A . 70 HEC HMD2 1 1 10 12137 3 2 1 HEC HMD3 H -6.666 -1.022 -8.152 1.00 . C A . 70 HEC HMD3 1 1 10 12138 3 2 1 HEC NA N -1.855 -3.653 -3.804 1.00 . C A . 70 HEC NA 1 1 10 12139 3 2 1 HEC NB N -1.506 -1.637 -1.836 1.00 . C A . 70 HEC NB 1 1 10 12140 3 2 1 HEC NC N -3.711 -0.136 -2.919 1.00 . C A . 70 HEC NC 1 1 10 12141 3 2 1 HEC ND N -4.087 -2.164 -4.887 1.00 . C A . 70 HEC ND 1 1 10 12142 3 2 1 HEC O1A O -1.203 -8.648 -8.427 1.00 . C A . 70 HEC O1A 1 1 10 12143 3 2 1 HEC O1D O -5.200 -4.151 -10.897 1.00 . C A . 70 HEC O1D 1 1 10 12144 3 2 1 HEC O2A O -0.107 -9.398 -6.644 1.00 . C A . 70 HEC O2A 1 1 10 12145 3 2 1 HEC O2D O -3.235 -3.233 -11.377 1.00 . C A . 70 HEC O2D 1 1 10 12146 4 2 1 HEC C1A C 2.691 -5.415 9.532 1.00 . D A . 71 HEC C1A 1 1 10 12147 4 2 1 HEC C1B C -0.109 -8.657 9.537 1.00 . D A . 71 HEC C1B 1 1 10 12148 4 2 1 HEC C1C C -1.571 -7.347 5.742 1.00 . D A . 71 HEC C1C 1 1 10 12149 4 2 1 HEC C1D C 1.286 -4.200 5.688 1.00 . D A . 71 HEC C1D 1 1 10 12150 4 2 1 HEC C2A C 3.386 -5.810 10.734 1.00 . D A . 71 HEC C2A 1 1 10 12151 4 2 1 HEC C2B C -0.989 -9.796 9.661 1.00 . D A . 71 HEC C2B 1 1 10 12152 4 2 1 HEC C2C C -2.115 -7.120 4.428 1.00 . D A . 71 HEC C2C 1 1 10 12153 4 2 1 HEC C2D C 2.246 -3.137 5.502 1.00 . D A . 71 HEC C2D 1 1 10 12154 4 2 1 HEC C3A C 2.635 -6.798 11.320 1.00 . D A . 71 HEC C3A 1 1 10 12155 4 2 1 HEC C3B C -1.859 -9.761 8.597 1.00 . D A . 71 HEC C3B 1 1 10 12156 4 2 1 HEC C3C C -1.517 -5.982 3.938 1.00 . D A . 71 HEC C3C 1 1 10 12157 4 2 1 HEC C3D C 3.027 -3.082 6.623 1.00 . D A . 71 HEC C3D 1 1 10 12158 4 2 1 HEC C4A C 1.656 -7.219 10.340 1.00 . D A . 71 HEC C4A 1 1 10 12159 4 2 1 HEC C4B C -1.379 -8.714 7.720 1.00 . D A . 71 HEC C4B 1 1 10 12160 4 2 1 HEC C4C C -0.515 -5.597 4.917 1.00 . D A . 71 HEC C4C 1 1 10 12161 4 2 1 HEC C4D C 2.529 -4.095 7.529 1.00 . D A . 71 HEC C4D 1 1 10 12162 4 2 1 HEC CAA C 4.757 -5.340 11.182 1.00 . D A . 71 HEC CAA 1 1 10 12163 4 2 1 HEC CAB C -3.246 -10.390 8.530 1.00 . D A . 71 HEC CAB 1 1 10 12164 4 2 1 HEC CAC C -1.824 -5.281 2.619 1.00 . D A . 71 HEC CAC 1 1 10 12165 4 2 1 HEC CAD C 4.199 -2.132 6.801 1.00 . D A . 71 HEC CAD 1 1 10 12166 4 2 1 HEC CBA C 5.920 -6.041 10.455 1.00 . D A . 71 HEC CBA 1 1 10 12167 4 2 1 HEC CBB C -4.093 -10.106 9.773 1.00 . D A . 71 HEC CBB 1 1 10 12168 4 2 1 HEC CBC C -3.269 -4.793 2.487 1.00 . D A . 71 HEC CBC 1 1 10 12169 4 2 1 HEC CBD C 5.576 -2.749 7.083 1.00 . D A . 71 HEC CBD 1 1 10 12170 4 2 1 HEC CGA C 6.555 -7.195 11.233 1.00 . D A . 71 HEC CGA 1 1 10 12171 4 2 1 HEC CGD C 5.736 -4.161 6.521 1.00 . D A . 71 HEC CGD 1 1 10 12172 4 2 1 HEC CHA C 3.078 -4.359 8.753 1.00 . D A . 71 HEC CHA 1 1 10 12173 4 2 1 HEC CHB C 0.823 -8.308 10.497 1.00 . D A . 71 HEC CHB 1 1 10 12174 4 2 1 HEC CHC C -1.963 -8.401 6.514 1.00 . D A . 71 HEC CHC 1 1 10 12175 4 2 1 HEC CHD C 0.364 -4.560 4.734 1.00 . D A . 71 HEC CHD 1 1 10 12176 4 2 1 HEC CMA C 2.782 -7.265 12.752 1.00 . D A . 71 HEC CMA 1 1 10 12177 4 2 1 HEC CMB C -0.958 -10.823 10.770 1.00 . D A . 71 HEC CMB 1 1 10 12178 4 2 1 HEC CMC C -3.054 -8.071 3.716 1.00 . D A . 71 HEC CMC 1 1 10 12179 4 2 1 HEC CMD C 2.440 -2.257 4.292 1.00 . D A . 71 HEC CMD 1 1 10 12180 4 2 1 HEC FE FE 0.514 -6.370 7.686 1.00 . D A . 71 HEC FE 1 1 10 12181 4 2 1 HEC HAA1 H 4.876 -4.293 10.943 1.00 . D A . 71 HEC HAA1 1 1 10 12182 4 2 1 HEC HAA2 H 4.873 -5.435 12.260 1.00 . D A . 71 HEC HAA2 1 1 10 12183 4 2 1 HEC HAB H -3.797 -9.933 7.720 1.00 . D A . 71 HEC HAB 1 1 10 12184 4 2 1 HEC HAC H -1.219 -4.386 2.525 1.00 . D A . 71 HEC HAC 1 1 10 12185 4 2 1 HEC HAD1 H 4.325 -1.552 5.889 1.00 . D A . 71 HEC HAD1 1 1 10 12186 4 2 1 HEC HAD2 H 3.965 -1.434 7.592 1.00 . D A . 71 HEC HAD2 1 1 10 12187 4 2 1 HEC HBA1 H 5.547 -6.430 9.507 1.00 . D A . 71 HEC HBA1 1 1 10 12188 4 2 1 HEC HBA2 H 6.695 -5.305 10.243 1.00 . D A . 71 HEC HBA2 1 1 10 12189 4 2 1 HEC HBB1 H -3.683 -10.607 10.649 1.00 . D A . 71 HEC HBB1 1 1 10 12190 4 2 1 HEC HBB2 H -4.125 -9.031 9.955 1.00 . D A . 71 HEC HBB2 1 1 10 12191 4 2 1 HEC HBB3 H -5.109 -10.465 9.609 1.00 . D A . 71 HEC HBB3 1 1 10 12192 4 2 1 HEC HBC1 H -3.965 -5.626 2.420 1.00 . D A . 71 HEC HBC1 1 1 10 12193 4 2 1 HEC HBC2 H -3.529 -4.175 3.343 1.00 . D A . 71 HEC HBC2 1 1 10 12194 4 2 1 HEC HBC3 H -3.353 -4.174 1.595 1.00 . D A . 71 HEC HBC3 1 1 10 12195 4 2 1 HEC HBD1 H 6.345 -2.098 6.666 1.00 . D A . 71 HEC HBD1 1 1 10 12196 4 2 1 HEC HBD2 H 5.731 -2.779 8.162 1.00 . D A . 71 HEC HBD2 1 1 10 12197 4 2 1 HEC HHA H 3.951 -3.799 9.024 1.00 . D A . 71 HEC HHA 1 1 10 12198 4 2 1 HEC HHB H 0.925 -8.936 11.363 1.00 . D A . 71 HEC HHB 1 1 10 12199 4 2 1 HEC HHC H -2.732 -9.022 6.124 1.00 . D A . 71 HEC HHC 1 1 10 12200 4 2 1 HEC HHD H 0.369 -4.049 3.791 1.00 . D A . 71 HEC HHD 1 1 10 12201 4 2 1 HEC HMA1 H 3.748 -7.743 12.886 1.00 . D A . 71 HEC HMA1 1 1 10 12202 4 2 1 HEC HMA2 H 2.767 -6.400 13.412 1.00 . D A . 71 HEC HMA2 1 1 10 12203 4 2 1 HEC HMA3 H 1.990 -7.950 13.048 1.00 . D A . 71 HEC HMA3 1 1 10 12204 4 2 1 HEC HMB1 H 0.066 -11.161 10.922 1.00 . D A . 71 HEC HMB1 1 1 10 12205 4 2 1 HEC HMB2 H -1.344 -10.386 11.690 1.00 . D A . 71 HEC HMB2 1 1 10 12206 4 2 1 HEC HMB3 H -1.563 -11.687 10.494 1.00 . D A . 71 HEC HMB3 1 1 10 12207 4 2 1 HEC HMC1 H -3.223 -7.760 2.688 1.00 . D A . 71 HEC HMC1 1 1 10 12208 4 2 1 HEC HMC2 H -2.602 -9.063 3.708 1.00 . D A . 71 HEC HMC2 1 1 10 12209 4 2 1 HEC HMC3 H -4.004 -8.128 4.242 1.00 . D A . 71 HEC HMC3 1 1 10 12210 4 2 1 HEC HMD1 H 3.418 -2.487 3.883 1.00 . D A . 71 HEC HMD1 1 1 10 12211 4 2 1 HEC HMD2 H 1.686 -2.426 3.536 1.00 . D A . 71 HEC HMD2 1 1 10 12212 4 2 1 HEC HMD3 H 2.414 -1.207 4.578 1.00 . D A . 71 HEC HMD3 1 1 10 12213 4 2 1 HEC NA N 1.683 -6.320 9.321 1.00 . D A . 71 HEC NA 1 1 10 12214 4 2 1 HEC NB N -0.378 -8.048 8.353 1.00 . D A . 71 HEC NB 1 1 10 12215 4 2 1 HEC NC N -0.626 -6.435 5.994 1.00 . D A . 71 HEC NC 1 1 10 12216 4 2 1 HEC ND N 1.483 -4.738 6.927 1.00 . D A . 71 HEC ND 1 1 10 12217 4 2 1 HEC O1A O 6.107 -7.473 12.371 1.00 . D A . 71 HEC O1A 1 1 10 12218 4 2 1 HEC O1D O 6.130 -4.325 5.345 1.00 . D A . 71 HEC O1D 1 1 10 12219 4 2 1 HEC O2A O 7.382 -7.955 10.665 1.00 . D A . 71 HEC O2A 1 1 10 12220 4 2 1 HEC O2D O 5.462 -5.101 7.292 1.00 . D A . 71 HEC O2D 1 1 11 12221 1 1 1 ALA C C 9.275 0.529 -9.617 1.00 . A A . 1 ALA C 1 1 11 12222 1 1 1 ALA CA C 10.577 -0.265 -9.731 1.00 . A A . 1 ALA CA 1 1 11 12223 1 1 1 ALA CB C 11.314 0.027 -11.047 1.00 . A A . 1 ALA CB 1 1 11 12224 1 1 1 ALA H1 H 9.552 -1.951 -10.327 1.00 . A A . 1 ALA H1 1 1 11 12225 1 1 1 ALA H2 H 11.075 -2.272 -9.771 1.00 . A A . 1 ALA H2 1 1 11 12226 1 1 1 ALA H3 H 9.884 -1.905 -8.689 1.00 . A A . 1 ALA H3 1 1 11 12227 1 1 1 ALA HA H 11.229 0.016 -8.903 1.00 . A A . 1 ALA HA 1 1 11 12228 1 1 1 ALA HB1 H 11.457 1.102 -11.160 1.00 . A A . 1 ALA HB1 1 1 11 12229 1 1 1 ALA HB2 H 12.290 -0.460 -11.037 1.00 . A A . 1 ALA HB2 1 1 11 12230 1 1 1 ALA HB3 H 10.753 -0.348 -11.904 1.00 . A A . 1 ALA HB3 1 1 11 12231 1 1 1 ALA N N 10.257 -1.707 -9.619 1.00 . A A . 1 ALA N 1 1 11 12232 1 1 1 ALA O O 8.960 1.116 -8.590 1.00 . A A . 1 ALA O 1 1 11 12233 1 1 2 ASP C C 6.389 -0.679 -9.465 1.00 . A A . 2 ASP C 1 1 11 12234 1 1 2 ASP CA C 6.987 0.178 -10.596 1.00 . A A . 2 ASP CA 1 1 11 12235 1 1 2 ASP CB C 6.641 -0.527 -11.920 1.00 . A A . 2 ASP CB 1 1 11 12236 1 1 2 ASP CG C 7.292 -1.917 -12.018 1.00 . A A . 2 ASP CG 1 1 11 12237 1 1 2 ASP H H 8.811 -0.256 -11.373 1.00 . A A . 2 ASP H 1 1 11 12238 1 1 2 ASP HA H 6.549 1.170 -10.529 1.00 . A A . 2 ASP HA 1 1 11 12239 1 1 2 ASP HB2 H 5.560 -0.655 -11.998 1.00 . A A . 2 ASP HB2 1 1 11 12240 1 1 2 ASP HB3 H 6.970 0.073 -12.767 1.00 . A A . 2 ASP HB3 1 1 11 12241 1 1 2 ASP N N 8.436 0.313 -10.621 1.00 . A A . 2 ASP N 1 1 11 12242 1 1 2 ASP O O 5.169 -0.815 -9.410 1.00 . A A . 2 ASP O 1 1 11 12243 1 1 2 ASP OD1 O 8.475 -2.032 -11.599 1.00 . A A . 2 ASP OD1 1 1 11 12244 1 1 2 ASP OD2 O 6.608 -2.830 -12.515 1.00 . A A . 2 ASP OD2 1 1 11 12245 1 1 3 VAL C C 8.071 -2.095 -6.567 1.00 . A A . 3 VAL C 1 1 11 12246 1 1 3 VAL CA C 6.860 -2.137 -7.493 1.00 . A A . 3 VAL CA 1 1 11 12247 1 1 3 VAL CB C 6.548 -3.560 -8.011 1.00 . A A . 3 VAL CB 1 1 11 12248 1 1 3 VAL CG1 C 7.711 -4.185 -8.794 1.00 . A A . 3 VAL CG1 1 1 11 12249 1 1 3 VAL CG2 C 6.169 -4.521 -6.876 1.00 . A A . 3 VAL CG2 1 1 11 12250 1 1 3 VAL H H 8.155 -0.938 -8.531 1.00 . A A . 3 VAL H 1 1 11 12251 1 1 3 VAL HA H 6.007 -1.715 -6.968 1.00 . A A . 3 VAL HA 1 1 11 12252 1 1 3 VAL HB H 5.693 -3.494 -8.686 1.00 . A A . 3 VAL HB 1 1 11 12253 1 1 3 VAL HG11 H 7.974 -3.562 -9.643 1.00 . A A . 3 VAL HG11 1 1 11 12254 1 1 3 VAL HG12 H 8.583 -4.320 -8.154 1.00 . A A . 3 VAL HG12 1 1 11 12255 1 1 3 VAL HG13 H 7.407 -5.162 -9.174 1.00 . A A . 3 VAL HG13 1 1 11 12256 1 1 3 VAL HG21 H 5.292 -4.153 -6.351 1.00 . A A . 3 VAL HG21 1 1 11 12257 1 1 3 VAL HG22 H 5.930 -5.499 -7.292 1.00 . A A . 3 VAL HG22 1 1 11 12258 1 1 3 VAL HG23 H 6.992 -4.634 -6.170 1.00 . A A . 3 VAL HG23 1 1 11 12259 1 1 3 VAL N N 7.204 -1.247 -8.581 1.00 . A A . 3 VAL N 1 1 11 12260 1 1 3 VAL O O 9.196 -1.969 -7.073 1.00 . A A . 3 VAL O 1 1 11 12261 1 1 4 VAL C C 8.409 -3.109 -3.132 1.00 . A A . 4 VAL C 1 1 11 12262 1 1 4 VAL CA C 8.812 -2.081 -4.190 1.00 . A A . 4 VAL CA 1 1 11 12263 1 1 4 VAL CB C 8.872 -0.649 -3.620 1.00 . A A . 4 VAL CB 1 1 11 12264 1 1 4 VAL CG1 C 9.691 -0.531 -2.323 1.00 . A A . 4 VAL CG1 1 1 11 12265 1 1 4 VAL CG2 C 9.478 0.319 -4.640 1.00 . A A . 4 VAL CG2 1 1 11 12266 1 1 4 VAL H H 6.857 -2.252 -4.948 1.00 . A A . 4 VAL H 1 1 11 12267 1 1 4 VAL HA H 9.802 -2.345 -4.547 1.00 . A A . 4 VAL HA 1 1 11 12268 1 1 4 VAL HB H 7.854 -0.321 -3.427 1.00 . A A . 4 VAL HB 1 1 11 12269 1 1 4 VAL HG11 H 9.763 0.513 -2.022 1.00 . A A . 4 VAL HG11 1 1 11 12270 1 1 4 VAL HG12 H 9.218 -1.074 -1.506 1.00 . A A . 4 VAL HG12 1 1 11 12271 1 1 4 VAL HG13 H 10.697 -0.924 -2.473 1.00 . A A . 4 VAL HG13 1 1 11 12272 1 1 4 VAL HG21 H 8.860 0.367 -5.535 1.00 . A A . 4 VAL HG21 1 1 11 12273 1 1 4 VAL HG22 H 9.526 1.316 -4.203 1.00 . A A . 4 VAL HG22 1 1 11 12274 1 1 4 VAL HG23 H 10.484 -0.007 -4.902 1.00 . A A . 4 VAL HG23 1 1 11 12275 1 1 4 VAL N N 7.824 -2.141 -5.257 1.00 . A A . 4 VAL N 1 1 11 12276 1 1 4 VAL O O 7.274 -3.597 -3.129 1.00 . A A . 4 VAL O 1 1 11 12277 1 1 5 THR C C 9.621 -3.122 0.209 1.00 . A A . 5 THR C 1 1 11 12278 1 1 5 THR CA C 8.965 -3.917 -0.914 1.00 . A A . 5 THR CA 1 1 11 12279 1 1 5 THR CB C 9.266 -5.416 -0.786 1.00 . A A . 5 THR CB 1 1 11 12280 1 1 5 THR CG2 C 10.749 -5.768 -0.947 1.00 . A A . 5 THR CG2 1 1 11 12281 1 1 5 THR H H 10.256 -3.005 -2.274 1.00 . A A . 5 THR H 1 1 11 12282 1 1 5 THR HA H 7.898 -3.727 -0.803 1.00 . A A . 5 THR HA 1 1 11 12283 1 1 5 THR HB H 8.692 -5.950 -1.545 1.00 . A A . 5 THR HB 1 1 11 12284 1 1 5 THR HG1 H 7.946 -5.411 0.559 1.00 . A A . 5 THR HG1 1 1 11 12285 1 1 5 THR HG21 H 11.353 -5.265 -0.191 1.00 . A A . 5 THR HG21 1 1 11 12286 1 1 5 THR HG22 H 10.879 -6.845 -0.835 1.00 . A A . 5 THR HG22 1 1 11 12287 1 1 5 THR HG23 H 11.100 -5.474 -1.936 1.00 . A A . 5 THR HG23 1 1 11 12288 1 1 5 THR N N 9.334 -3.416 -2.217 1.00 . A A . 5 THR N 1 1 11 12289 1 1 5 THR O O 10.743 -2.640 0.076 1.00 . A A . 5 THR O 1 1 11 12290 1 1 5 THR OG1 O 8.822 -5.810 0.492 1.00 . A A . 5 THR OG1 1 1 11 12291 1 1 6 TYR C C 10.346 -3.550 3.268 1.00 . A A . 6 TYR C 1 1 11 12292 1 1 6 TYR CA C 9.382 -2.552 2.604 1.00 . A A . 6 TYR CA 1 1 11 12293 1 1 6 TYR CB C 8.186 -2.290 3.530 1.00 . A A . 6 TYR CB 1 1 11 12294 1 1 6 TYR CD1 C 7.514 -0.078 2.474 1.00 . A A . 6 TYR CD1 1 1 11 12295 1 1 6 TYR CD2 C 5.789 -1.714 2.960 1.00 . A A . 6 TYR CD2 1 1 11 12296 1 1 6 TYR CE1 C 6.563 0.717 1.813 1.00 . A A . 6 TYR CE1 1 1 11 12297 1 1 6 TYR CE2 C 4.858 -0.953 2.237 1.00 . A A . 6 TYR CE2 1 1 11 12298 1 1 6 TYR CG C 7.140 -1.327 3.000 1.00 . A A . 6 TYR CG 1 1 11 12299 1 1 6 TYR CZ C 5.238 0.271 1.682 1.00 . A A . 6 TYR CZ 1 1 11 12300 1 1 6 TYR H H 7.940 -3.356 1.282 1.00 . A A . 6 TYR H 1 1 11 12301 1 1 6 TYR HA H 9.916 -1.617 2.451 1.00 . A A . 6 TYR HA 1 1 11 12302 1 1 6 TYR HB2 H 7.709 -3.251 3.717 1.00 . A A . 6 TYR HB2 1 1 11 12303 1 1 6 TYR HB3 H 8.549 -1.905 4.481 1.00 . A A . 6 TYR HB3 1 1 11 12304 1 1 6 TYR HD1 H 8.542 0.251 2.515 1.00 . A A . 6 TYR HD1 1 1 11 12305 1 1 6 TYR HD2 H 5.467 -2.609 3.464 1.00 . A A . 6 TYR HD2 1 1 11 12306 1 1 6 TYR HE1 H 6.894 1.585 1.275 1.00 . A A . 6 TYR HE1 1 1 11 12307 1 1 6 TYR HE2 H 3.874 -1.332 2.021 1.00 . A A . 6 TYR HE2 1 1 11 12308 1 1 6 TYR HH H 4.671 0.912 -0.035 1.00 . A A . 6 TYR HH 1 1 11 12309 1 1 6 TYR N N 8.890 -3.022 1.321 1.00 . A A . 6 TYR N 1 1 11 12310 1 1 6 TYR O O 11.048 -3.158 4.194 1.00 . A A . 6 TYR O 1 1 11 12311 1 1 6 TYR OH O 4.357 0.920 0.875 1.00 . A A . 6 TYR OH 1 1 11 12312 1 1 7 GLU C C 11.233 -5.859 4.964 1.00 . A A . 7 GLU C 1 1 11 12313 1 1 7 GLU CA C 11.109 -5.924 3.432 1.00 . A A . 7 GLU CA 1 1 11 12314 1 1 7 GLU CB C 12.420 -6.195 2.699 1.00 . A A . 7 GLU CB 1 1 11 12315 1 1 7 GLU CD C 14.569 -5.359 1.699 1.00 . A A . 7 GLU CD 1 1 11 12316 1 1 7 GLU CG C 13.284 -4.960 2.414 1.00 . A A . 7 GLU CG 1 1 11 12317 1 1 7 GLU H H 9.791 -5.056 2.021 1.00 . A A . 7 GLU H 1 1 11 12318 1 1 7 GLU HA H 10.521 -6.817 3.234 1.00 . A A . 7 GLU HA 1 1 11 12319 1 1 7 GLU HB2 H 12.982 -6.904 3.305 1.00 . A A . 7 GLU HB2 1 1 11 12320 1 1 7 GLU HB3 H 12.182 -6.672 1.750 1.00 . A A . 7 GLU HB3 1 1 11 12321 1 1 7 GLU HG2 H 12.749 -4.262 1.771 1.00 . A A . 7 GLU HG2 1 1 11 12322 1 1 7 GLU HG3 H 13.533 -4.461 3.351 1.00 . A A . 7 GLU HG3 1 1 11 12323 1 1 7 GLU N N 10.346 -4.825 2.837 1.00 . A A . 7 GLU N 1 1 11 12324 1 1 7 GLU O O 12.269 -5.540 5.541 1.00 . A A . 7 GLU O 1 1 11 12325 1 1 7 GLU OE1 O 14.440 -5.962 0.611 1.00 . A A . 7 GLU OE1 1 1 11 12326 1 1 7 GLU OE2 O 15.651 -5.078 2.257 1.00 . A A . 7 GLU OE2 1 1 11 12327 1 1 8 ASN C C 10.383 -7.314 7.781 1.00 . A A . 8 ASN C 1 1 11 12328 1 1 8 ASN CA C 9.895 -6.072 7.044 1.00 . A A . 8 ASN CA 1 1 11 12329 1 1 8 ASN CB C 8.402 -5.844 7.324 1.00 . A A . 8 ASN CB 1 1 11 12330 1 1 8 ASN CG C 7.740 -5.020 6.233 1.00 . A A . 8 ASN CG 1 1 11 12331 1 1 8 ASN H H 9.396 -6.583 5.025 1.00 . A A . 8 ASN H 1 1 11 12332 1 1 8 ASN HA H 10.447 -5.199 7.400 1.00 . A A . 8 ASN HA 1 1 11 12333 1 1 8 ASN HB2 H 7.886 -6.801 7.409 1.00 . A A . 8 ASN HB2 1 1 11 12334 1 1 8 ASN HB3 H 8.294 -5.308 8.266 1.00 . A A . 8 ASN HB3 1 1 11 12335 1 1 8 ASN HD21 H 6.912 -6.687 5.349 1.00 . A A . 8 ASN HD21 1 1 11 12336 1 1 8 ASN HD22 H 6.565 -5.114 4.625 1.00 . A A . 8 ASN HD22 1 1 11 12337 1 1 8 ASN N N 10.125 -6.218 5.608 1.00 . A A . 8 ASN N 1 1 11 12338 1 1 8 ASN ND2 N 7.041 -5.679 5.310 1.00 . A A . 8 ASN ND2 1 1 11 12339 1 1 8 ASN O O 10.803 -8.280 7.144 1.00 . A A . 8 ASN O 1 1 11 12340 1 1 8 ASN OD1 O 7.899 -3.810 6.171 1.00 . A A . 8 ASN OD1 1 1 11 12341 1 1 9 LYS C C 9.481 -9.544 9.735 1.00 . A A . 9 LYS C 1 1 11 12342 1 1 9 LYS CA C 10.619 -8.530 9.873 1.00 . A A . 9 LYS CA 1 1 11 12343 1 1 9 LYS CB C 10.903 -8.169 11.341 1.00 . A A . 9 LYS CB 1 1 11 12344 1 1 9 LYS CD C 12.977 -9.660 11.793 1.00 . A A . 9 LYS CD 1 1 11 12345 1 1 9 LYS CE C 13.986 -8.545 12.117 1.00 . A A . 9 LYS CE 1 1 11 12346 1 1 9 LYS CG C 11.513 -9.332 12.146 1.00 . A A . 9 LYS CG 1 1 11 12347 1 1 9 LYS H H 9.711 -6.632 9.603 1.00 . A A . 9 LYS H 1 1 11 12348 1 1 9 LYS HA H 11.518 -8.953 9.426 1.00 . A A . 9 LYS HA 1 1 11 12349 1 1 9 LYS HB2 H 11.559 -7.300 11.382 1.00 . A A . 9 LYS HB2 1 1 11 12350 1 1 9 LYS HB3 H 9.960 -7.891 11.813 1.00 . A A . 9 LYS HB3 1 1 11 12351 1 1 9 LYS HD2 H 13.263 -10.568 12.329 1.00 . A A . 9 LYS HD2 1 1 11 12352 1 1 9 LYS HD3 H 13.051 -9.892 10.728 1.00 . A A . 9 LYS HD3 1 1 11 12353 1 1 9 LYS HE2 H 14.982 -8.893 11.839 1.00 . A A . 9 LYS HE2 1 1 11 12354 1 1 9 LYS HE3 H 13.769 -7.657 11.520 1.00 . A A . 9 LYS HE3 1 1 11 12355 1 1 9 LYS HG2 H 11.423 -9.103 13.207 1.00 . A A . 9 LYS HG2 1 1 11 12356 1 1 9 LYS HG3 H 10.915 -10.227 11.968 1.00 . A A . 9 LYS HG3 1 1 11 12357 1 1 9 LYS HZ1 H 14.197 -8.999 14.114 1.00 . A A . 9 LYS HZ1 1 1 11 12358 1 1 9 LYS HZ2 H 14.702 -7.484 13.723 1.00 . A A . 9 LYS HZ2 1 1 11 12359 1 1 9 LYS HZ3 H 13.095 -7.808 13.817 1.00 . A A . 9 LYS HZ3 1 1 11 12360 1 1 9 LYS N N 10.272 -7.339 9.114 1.00 . A A . 9 LYS N 1 1 11 12361 1 1 9 LYS NZ N 13.993 -8.185 13.551 1.00 . A A . 9 LYS NZ 1 1 11 12362 1 1 9 LYS O O 9.732 -10.740 9.617 1.00 . A A . 9 LYS O 1 1 11 12363 1 1 10 LYS C C 7.166 -10.739 8.266 1.00 . A A . 10 LYS C 1 1 11 12364 1 1 10 LYS CA C 7.053 -9.907 9.540 1.00 . A A . 10 LYS CA 1 1 11 12365 1 1 10 LYS CB C 5.818 -9.003 9.479 1.00 . A A . 10 LYS CB 1 1 11 12366 1 1 10 LYS CD C 4.079 -10.914 9.645 1.00 . A A . 10 LYS CD 1 1 11 12367 1 1 10 LYS CE C 4.095 -10.916 11.182 1.00 . A A . 10 LYS CE 1 1 11 12368 1 1 10 LYS CG C 4.465 -9.562 9.026 1.00 . A A . 10 LYS CG 1 1 11 12369 1 1 10 LYS H H 8.122 -8.066 9.961 1.00 . A A . 10 LYS H 1 1 11 12370 1 1 10 LYS HA H 6.966 -10.592 10.383 1.00 . A A . 10 LYS HA 1 1 11 12371 1 1 10 LYS HB2 H 5.680 -8.615 10.479 1.00 . A A . 10 LYS HB2 1 1 11 12372 1 1 10 LYS HB3 H 6.047 -8.194 8.784 1.00 . A A . 10 LYS HB3 1 1 11 12373 1 1 10 LYS HD2 H 3.079 -11.166 9.287 1.00 . A A . 10 LYS HD2 1 1 11 12374 1 1 10 LYS HD3 H 4.764 -11.674 9.265 1.00 . A A . 10 LYS HD3 1 1 11 12375 1 1 10 LYS HE2 H 5.000 -10.443 11.559 1.00 . A A . 10 LYS HE2 1 1 11 12376 1 1 10 LYS HE3 H 3.237 -10.351 11.546 1.00 . A A . 10 LYS HE3 1 1 11 12377 1 1 10 LYS HG2 H 3.715 -8.792 9.251 1.00 . A A . 10 LYS HG2 1 1 11 12378 1 1 10 LYS HG3 H 4.487 -9.673 7.941 1.00 . A A . 10 LYS HG3 1 1 11 12379 1 1 10 LYS HZ1 H 4.077 -12.251 12.741 1.00 . A A . 10 LYS HZ1 1 1 11 12380 1 1 10 LYS HZ2 H 3.225 -12.767 11.431 1.00 . A A . 10 LYS HZ2 1 1 11 12381 1 1 10 LYS HZ3 H 4.872 -12.801 11.414 1.00 . A A . 10 LYS HZ3 1 1 11 12382 1 1 10 LYS N N 8.231 -9.067 9.757 1.00 . A A . 10 LYS N 1 1 11 12383 1 1 10 LYS NZ N 4.061 -12.287 11.730 1.00 . A A . 10 LYS NZ 1 1 11 12384 1 1 10 LYS O O 7.012 -11.958 8.298 1.00 . A A . 10 LYS O 1 1 11 12385 1 1 11 GLY C C 7.197 -9.546 4.801 1.00 . A A . 11 GLY C 1 1 11 12386 1 1 11 GLY CA C 7.289 -10.665 5.826 1.00 . A A . 11 GLY CA 1 1 11 12387 1 1 11 GLY H H 7.448 -9.056 7.182 1.00 . A A . 11 GLY H 1 1 11 12388 1 1 11 GLY HA2 H 8.197 -11.251 5.673 1.00 . A A . 11 GLY HA2 1 1 11 12389 1 1 11 GLY HA3 H 6.417 -11.314 5.733 1.00 . A A . 11 GLY HA3 1 1 11 12390 1 1 11 GLY N N 7.341 -10.058 7.138 1.00 . A A . 11 GLY N 1 1 11 12391 1 1 11 GLY O O 6.564 -8.511 5.066 1.00 . A A . 11 GLY O 1 1 11 12392 1 1 12 ASN C C 6.700 -8.325 2.094 1.00 . A A . 12 ASN C 1 1 11 12393 1 1 12 ASN CA C 8.058 -8.742 2.634 1.00 . A A . 12 ASN CA 1 1 11 12394 1 1 12 ASN CB C 8.917 -9.267 1.476 1.00 . A A . 12 ASN CB 1 1 11 12395 1 1 12 ASN CG C 10.365 -9.622 1.818 1.00 . A A . 12 ASN CG 1 1 11 12396 1 1 12 ASN H H 8.301 -10.652 3.520 1.00 . A A . 12 ASN H 1 1 11 12397 1 1 12 ASN HA H 8.553 -7.875 3.069 1.00 . A A . 12 ASN HA 1 1 11 12398 1 1 12 ASN HB2 H 8.417 -10.137 1.061 1.00 . A A . 12 ASN HB2 1 1 11 12399 1 1 12 ASN HB3 H 8.950 -8.504 0.698 1.00 . A A . 12 ASN HB3 1 1 11 12400 1 1 12 ASN HD21 H 10.156 -9.261 3.828 1.00 . A A . 12 ASN HD21 1 1 11 12401 1 1 12 ASN HD22 H 11.737 -9.772 3.278 1.00 . A A . 12 ASN HD22 1 1 11 12402 1 1 12 ASN N N 7.873 -9.748 3.668 1.00 . A A . 12 ASN N 1 1 11 12403 1 1 12 ASN ND2 N 10.773 -9.545 3.084 1.00 . A A . 12 ASN ND2 1 1 11 12404 1 1 12 ASN O O 5.997 -9.123 1.476 1.00 . A A . 12 ASN O 1 1 11 12405 1 1 12 ASN OD1 O 11.130 -9.983 0.932 1.00 . A A . 12 ASN OD1 1 1 11 12406 1 1 13 VAL C C 5.504 -6.136 0.320 1.00 . A A . 13 VAL C 1 1 11 12407 1 1 13 VAL CA C 5.165 -6.461 1.762 1.00 . A A . 13 VAL CA 1 1 11 12408 1 1 13 VAL CB C 4.791 -5.190 2.526 1.00 . A A . 13 VAL CB 1 1 11 12409 1 1 13 VAL CG1 C 3.783 -4.352 1.731 1.00 . A A . 13 VAL CG1 1 1 11 12410 1 1 13 VAL CG2 C 4.168 -5.554 3.873 1.00 . A A . 13 VAL CG2 1 1 11 12411 1 1 13 VAL H H 7.023 -6.484 2.799 1.00 . A A . 13 VAL H 1 1 11 12412 1 1 13 VAL HA H 4.326 -7.144 1.818 1.00 . A A . 13 VAL HA 1 1 11 12413 1 1 13 VAL HB H 5.699 -4.611 2.690 1.00 . A A . 13 VAL HB 1 1 11 12414 1 1 13 VAL HG11 H 2.972 -4.982 1.367 1.00 . A A . 13 VAL HG11 1 1 11 12415 1 1 13 VAL HG12 H 3.374 -3.589 2.376 1.00 . A A . 13 VAL HG12 1 1 11 12416 1 1 13 VAL HG13 H 4.263 -3.851 0.892 1.00 . A A . 13 VAL HG13 1 1 11 12417 1 1 13 VAL HG21 H 3.168 -5.969 3.731 1.00 . A A . 13 VAL HG21 1 1 11 12418 1 1 13 VAL HG22 H 4.787 -6.297 4.362 1.00 . A A . 13 VAL HG22 1 1 11 12419 1 1 13 VAL HG23 H 4.111 -4.669 4.503 1.00 . A A . 13 VAL HG23 1 1 11 12420 1 1 13 VAL N N 6.344 -7.070 2.342 1.00 . A A . 13 VAL N 1 1 11 12421 1 1 13 VAL O O 6.236 -5.176 0.089 1.00 . A A . 13 VAL O 1 1 11 12422 1 1 14 THR C C 4.042 -5.445 -2.280 1.00 . A A . 14 THR C 1 1 11 12423 1 1 14 THR CA C 5.116 -6.501 -2.029 1.00 . A A . 14 THR CA 1 1 11 12424 1 1 14 THR CB C 4.976 -7.730 -2.933 1.00 . A A . 14 THR CB 1 1 11 12425 1 1 14 THR CG2 C 5.229 -7.379 -4.403 1.00 . A A . 14 THR CG2 1 1 11 12426 1 1 14 THR H H 4.307 -7.615 -0.379 1.00 . A A . 14 THR H 1 1 11 12427 1 1 14 THR HA H 6.104 -6.072 -2.208 1.00 . A A . 14 THR HA 1 1 11 12428 1 1 14 THR HB H 3.977 -8.158 -2.826 1.00 . A A . 14 THR HB 1 1 11 12429 1 1 14 THR HG1 H 5.868 -8.821 -1.591 1.00 . A A . 14 THR HG1 1 1 11 12430 1 1 14 THR HG21 H 5.175 -8.287 -5.004 1.00 . A A . 14 THR HG21 1 1 11 12431 1 1 14 THR HG22 H 4.479 -6.674 -4.762 1.00 . A A . 14 THR HG22 1 1 11 12432 1 1 14 THR HG23 H 6.221 -6.939 -4.515 1.00 . A A . 14 THR HG23 1 1 11 12433 1 1 14 THR N N 4.990 -6.902 -0.636 1.00 . A A . 14 THR N 1 1 11 12434 1 1 14 THR O O 2.874 -5.698 -1.984 1.00 . A A . 14 THR O 1 1 11 12435 1 1 14 THR OG1 O 5.943 -8.682 -2.539 1.00 . A A . 14 THR OG1 1 1 11 12436 1 1 15 PHE C C 3.847 -2.656 -4.508 1.00 . A A . 15 PHE C 1 1 11 12437 1 1 15 PHE CA C 3.447 -3.250 -3.165 1.00 . A A . 15 PHE CA 1 1 11 12438 1 1 15 PHE CB C 3.275 -2.175 -2.084 1.00 . A A . 15 PHE CB 1 1 11 12439 1 1 15 PHE CD1 C 5.543 -1.621 -1.155 1.00 . A A . 15 PHE CD1 1 1 11 12440 1 1 15 PHE CD2 C 4.372 0.074 -2.463 1.00 . A A . 15 PHE CD2 1 1 11 12441 1 1 15 PHE CE1 C 6.584 -0.715 -0.923 1.00 . A A . 15 PHE CE1 1 1 11 12442 1 1 15 PHE CE2 C 5.419 0.980 -2.231 1.00 . A A . 15 PHE CE2 1 1 11 12443 1 1 15 PHE CG C 4.429 -1.220 -1.909 1.00 . A A . 15 PHE CG 1 1 11 12444 1 1 15 PHE CZ C 6.509 0.589 -1.439 1.00 . A A . 15 PHE CZ 1 1 11 12445 1 1 15 PHE H H 5.400 -4.062 -2.966 1.00 . A A . 15 PHE H 1 1 11 12446 1 1 15 PHE HA H 2.469 -3.719 -3.295 1.00 . A A . 15 PHE HA 1 1 11 12447 1 1 15 PHE HB2 H 2.388 -1.587 -2.317 1.00 . A A . 15 PHE HB2 1 1 11 12448 1 1 15 PHE HB3 H 3.116 -2.660 -1.125 1.00 . A A . 15 PHE HB3 1 1 11 12449 1 1 15 PHE HD1 H 5.601 -2.620 -0.751 1.00 . A A . 15 PHE HD1 1 1 11 12450 1 1 15 PHE HD2 H 3.545 0.365 -3.097 1.00 . A A . 15 PHE HD2 1 1 11 12451 1 1 15 PHE HE1 H 7.399 -0.990 -0.273 1.00 . A A . 15 PHE HE1 1 1 11 12452 1 1 15 PHE HE2 H 5.398 1.976 -2.656 1.00 . A A . 15 PHE HE2 1 1 11 12453 1 1 15 PHE HZ H 7.313 1.278 -1.259 1.00 . A A . 15 PHE HZ 1 1 11 12454 1 1 15 PHE N N 4.419 -4.261 -2.774 1.00 . A A . 15 PHE N 1 1 11 12455 1 1 15 PHE O O 4.981 -2.209 -4.695 1.00 . A A . 15 PHE O 1 1 11 12456 1 1 16 ASP C C 3.056 -0.496 -6.435 1.00 . A A . 16 ASP C 1 1 11 12457 1 1 16 ASP CA C 3.041 -2.000 -6.721 1.00 . A A . 16 ASP CA 1 1 11 12458 1 1 16 ASP CB C 1.891 -2.377 -7.664 1.00 . A A . 16 ASP CB 1 1 11 12459 1 1 16 ASP CG C 1.368 -3.799 -7.501 1.00 . A A . 16 ASP CG 1 1 11 12460 1 1 16 ASP H H 2.031 -3.178 -5.315 1.00 . A A . 16 ASP H 1 1 11 12461 1 1 16 ASP HA H 3.962 -2.322 -7.198 1.00 . A A . 16 ASP HA 1 1 11 12462 1 1 16 ASP HB2 H 1.058 -1.712 -7.476 1.00 . A A . 16 ASP HB2 1 1 11 12463 1 1 16 ASP HB3 H 2.246 -2.253 -8.685 1.00 . A A . 16 ASP HB3 1 1 11 12464 1 1 16 ASP N N 2.914 -2.684 -5.455 1.00 . A A . 16 ASP N 1 1 11 12465 1 1 16 ASP O O 2.400 -0.037 -5.500 1.00 . A A . 16 ASP O 1 1 11 12466 1 1 16 ASP OD1 O 0.871 -4.085 -6.386 1.00 . A A . 16 ASP OD1 1 1 11 12467 1 1 16 ASP OD2 O 1.467 -4.559 -8.486 1.00 . A A . 16 ASP OD2 1 1 11 12468 1 1 17 HIS C C 3.390 2.433 -8.255 1.00 . A A . 17 HIS C 1 1 11 12469 1 1 17 HIS CA C 3.979 1.701 -7.051 1.00 . A A . 17 HIS CA 1 1 11 12470 1 1 17 HIS CB C 5.462 2.018 -6.807 1.00 . A A . 17 HIS CB 1 1 11 12471 1 1 17 HIS CD2 C 4.894 4.243 -5.623 1.00 . A A . 17 HIS CD2 1 1 11 12472 1 1 17 HIS CE1 C 6.743 5.341 -6.001 1.00 . A A . 17 HIS CE1 1 1 11 12473 1 1 17 HIS CG C 5.725 3.435 -6.359 1.00 . A A . 17 HIS CG 1 1 11 12474 1 1 17 HIS H H 4.272 -0.184 -8.005 1.00 . A A . 17 HIS H 1 1 11 12475 1 1 17 HIS HA H 3.418 2.017 -6.173 1.00 . A A . 17 HIS HA 1 1 11 12476 1 1 17 HIS HB2 H 5.839 1.349 -6.036 1.00 . A A . 17 HIS HB2 1 1 11 12477 1 1 17 HIS HB3 H 6.048 1.819 -7.704 1.00 . A A . 17 HIS HB3 1 1 11 12478 1 1 17 HIS HD1 H 7.721 3.789 -7.031 1.00 . A A . 17 HIS HD1 1 1 11 12479 1 1 17 HIS HD2 H 3.915 3.989 -5.254 1.00 . A A . 17 HIS HD2 1 1 11 12480 1 1 17 HIS HE1 H 7.502 6.105 -6.008 1.00 . A A . 17 HIS HE1 1 1 11 12481 1 1 17 HIS N N 3.804 0.267 -7.231 1.00 . A A . 17 HIS N 1 1 11 12482 1 1 17 HIS ND1 N 6.890 4.134 -6.571 1.00 . A A . 17 HIS ND1 1 1 11 12483 1 1 17 HIS NE2 N 5.543 5.461 -5.407 1.00 . A A . 17 HIS NE2 1 1 11 12484 1 1 17 HIS O O 2.287 2.968 -8.171 1.00 . A A . 17 HIS O 1 1 11 12485 1 1 18 LYS C C 2.187 2.487 -10.924 1.00 . A A . 18 LYS C 1 1 11 12486 1 1 18 LYS CA C 3.599 2.978 -10.644 1.00 . A A . 18 LYS CA 1 1 11 12487 1 1 18 LYS CB C 4.525 2.631 -11.815 1.00 . A A . 18 LYS CB 1 1 11 12488 1 1 18 LYS CD C 4.809 2.976 -14.316 1.00 . A A . 18 LYS CD 1 1 11 12489 1 1 18 LYS CE C 3.977 3.125 -15.599 1.00 . A A . 18 LYS CE 1 1 11 12490 1 1 18 LYS CG C 3.837 2.983 -13.140 1.00 . A A . 18 LYS CG 1 1 11 12491 1 1 18 LYS H H 4.987 1.967 -9.399 1.00 . A A . 18 LYS H 1 1 11 12492 1 1 18 LYS HA H 3.572 4.064 -10.536 1.00 . A A . 18 LYS HA 1 1 11 12493 1 1 18 LYS HB2 H 5.459 3.187 -11.711 1.00 . A A . 18 LYS HB2 1 1 11 12494 1 1 18 LYS HB3 H 4.732 1.563 -11.821 1.00 . A A . 18 LYS HB3 1 1 11 12495 1 1 18 LYS HD2 H 5.515 3.801 -14.192 1.00 . A A . 18 LYS HD2 1 1 11 12496 1 1 18 LYS HD3 H 5.345 2.025 -14.312 1.00 . A A . 18 LYS HD3 1 1 11 12497 1 1 18 LYS HE2 H 3.405 2.207 -15.752 1.00 . A A . 18 LYS HE2 1 1 11 12498 1 1 18 LYS HE3 H 3.272 3.951 -15.488 1.00 . A A . 18 LYS HE3 1 1 11 12499 1 1 18 LYS HG2 H 3.056 2.249 -13.350 1.00 . A A . 18 LYS HG2 1 1 11 12500 1 1 18 LYS HG3 H 3.371 3.964 -13.051 1.00 . A A . 18 LYS HG3 1 1 11 12501 1 1 18 LYS HZ1 H 5.307 4.234 -16.704 1.00 . A A . 18 LYS HZ1 1 1 11 12502 1 1 18 LYS HZ2 H 5.443 2.602 -16.938 1.00 . A A . 18 LYS HZ2 1 1 11 12503 1 1 18 LYS HZ3 H 4.182 3.429 -17.597 1.00 . A A . 18 LYS HZ3 1 1 11 12504 1 1 18 LYS N N 4.088 2.412 -9.396 1.00 . A A . 18 LYS N 1 1 11 12505 1 1 18 LYS NZ N 4.797 3.366 -16.798 1.00 . A A . 18 LYS NZ 1 1 11 12506 1 1 18 LYS O O 1.307 3.289 -11.187 1.00 . A A . 18 LYS O 1 1 11 12507 1 1 19 ALA C C -0.397 1.353 -10.190 1.00 . A A . 19 ALA C 1 1 11 12508 1 1 19 ALA CA C 0.631 0.613 -11.051 1.00 . A A . 19 ALA CA 1 1 11 12509 1 1 19 ALA CB C 0.655 -0.848 -10.640 1.00 . A A . 19 ALA CB 1 1 11 12510 1 1 19 ALA H H 2.763 0.569 -10.768 1.00 . A A . 19 ALA H 1 1 11 12511 1 1 19 ALA HA H 0.344 0.672 -12.102 1.00 . A A . 19 ALA HA 1 1 11 12512 1 1 19 ALA HB1 H -0.317 -1.299 -10.831 1.00 . A A . 19 ALA HB1 1 1 11 12513 1 1 19 ALA HB2 H 1.432 -1.387 -11.178 1.00 . A A . 19 ALA HB2 1 1 11 12514 1 1 19 ALA HB3 H 0.855 -0.860 -9.573 1.00 . A A . 19 ALA HB3 1 1 11 12515 1 1 19 ALA N N 1.965 1.177 -10.887 1.00 . A A . 19 ALA N 1 1 11 12516 1 1 19 ALA O O -1.384 1.872 -10.702 1.00 . A A . 19 ALA O 1 1 11 12517 1 1 20 HIS C C -1.128 3.616 -8.389 1.00 . A A . 20 HIS C 1 1 11 12518 1 1 20 HIS CA C -1.030 2.146 -7.969 1.00 . A A . 20 HIS CA 1 1 11 12519 1 1 20 HIS CB C -0.566 1.954 -6.513 1.00 . A A . 20 HIS CB 1 1 11 12520 1 1 20 HIS CD2 C -1.687 0.436 -4.755 1.00 . A A . 20 HIS CD2 1 1 11 12521 1 1 20 HIS CE1 C -1.702 -1.452 -5.850 1.00 . A A . 20 HIS CE1 1 1 11 12522 1 1 20 HIS CG C -1.019 0.633 -5.936 1.00 . A A . 20 HIS CG 1 1 11 12523 1 1 20 HIS H H 0.738 1.105 -8.527 1.00 . A A . 20 HIS H 1 1 11 12524 1 1 20 HIS HA H -2.029 1.720 -8.059 1.00 . A A . 20 HIS HA 1 1 11 12525 1 1 20 HIS HB2 H 0.519 2.025 -6.447 1.00 . A A . 20 HIS HB2 1 1 11 12526 1 1 20 HIS HB3 H -0.985 2.749 -5.901 1.00 . A A . 20 HIS HB3 1 1 11 12527 1 1 20 HIS HD1 H -0.696 -0.702 -7.549 1.00 . A A . 20 HIS HD1 1 1 11 12528 1 1 20 HIS HD2 H -1.917 1.187 -4.025 1.00 . A A . 20 HIS HD2 1 1 11 12529 1 1 20 HIS HE1 H -1.897 -2.472 -6.138 1.00 . A A . 20 HIS HE1 1 1 11 12530 1 1 20 HIS N N -0.154 1.424 -8.878 1.00 . A A . 20 HIS N 1 1 11 12531 1 1 20 HIS ND1 N -1.052 -0.558 -6.616 1.00 . A A . 20 HIS ND1 1 1 11 12532 1 1 20 HIS NE2 N -2.131 -0.890 -4.708 1.00 . A A . 20 HIS NE2 1 1 11 12533 1 1 20 HIS O O -2.163 4.254 -8.237 1.00 . A A . 20 HIS O 1 1 11 12534 1 1 21 ALA C C -1.142 5.590 -10.673 1.00 . A A . 21 ALA C 1 1 11 12535 1 1 21 ALA CA C -0.145 5.519 -9.509 1.00 . A A . 21 ALA CA 1 1 11 12536 1 1 21 ALA CB C 1.249 6.016 -9.893 1.00 . A A . 21 ALA CB 1 1 11 12537 1 1 21 ALA H H 0.749 3.586 -9.129 1.00 . A A . 21 ALA H 1 1 11 12538 1 1 21 ALA HA H -0.507 6.179 -8.719 1.00 . A A . 21 ALA HA 1 1 11 12539 1 1 21 ALA HB1 H 1.955 5.786 -9.094 1.00 . A A . 21 ALA HB1 1 1 11 12540 1 1 21 ALA HB2 H 1.603 5.566 -10.814 1.00 . A A . 21 ALA HB2 1 1 11 12541 1 1 21 ALA HB3 H 1.186 7.088 -10.056 1.00 . A A . 21 ALA HB3 1 1 11 12542 1 1 21 ALA N N -0.072 4.170 -8.969 1.00 . A A . 21 ALA N 1 1 11 12543 1 1 21 ALA O O -2.132 6.299 -10.608 1.00 . A A . 21 ALA O 1 1 11 12544 1 1 22 GLU C C -3.115 4.493 -12.818 1.00 . A A . 22 GLU C 1 1 11 12545 1 1 22 GLU CA C -1.675 4.974 -12.987 1.00 . A A . 22 GLU CA 1 1 11 12546 1 1 22 GLU CB C -0.967 4.289 -14.167 1.00 . A A . 22 GLU CB 1 1 11 12547 1 1 22 GLU CD C -0.065 2.198 -15.247 1.00 . A A . 22 GLU CD 1 1 11 12548 1 1 22 GLU CG C -0.641 2.803 -13.976 1.00 . A A . 22 GLU CG 1 1 11 12549 1 1 22 GLU H H -0.206 4.148 -11.649 1.00 . A A . 22 GLU H 1 1 11 12550 1 1 22 GLU HA H -1.727 6.037 -13.232 1.00 . A A . 22 GLU HA 1 1 11 12551 1 1 22 GLU HB2 H -1.613 4.373 -15.041 1.00 . A A . 22 GLU HB2 1 1 11 12552 1 1 22 GLU HB3 H -0.035 4.815 -14.376 1.00 . A A . 22 GLU HB3 1 1 11 12553 1 1 22 GLU HG2 H 0.098 2.686 -13.194 1.00 . A A . 22 GLU HG2 1 1 11 12554 1 1 22 GLU HG3 H -1.538 2.248 -13.710 1.00 . A A . 22 GLU HG3 1 1 11 12555 1 1 22 GLU N N -0.918 4.845 -11.747 1.00 . A A . 22 GLU N 1 1 11 12556 1 1 22 GLU O O -4.039 5.108 -13.349 1.00 . A A . 22 GLU O 1 1 11 12557 1 1 22 GLU OE1 O 1.015 2.677 -15.664 1.00 . A A . 22 GLU OE1 1 1 11 12558 1 1 22 GLU OE2 O -0.716 1.273 -15.779 1.00 . A A . 22 GLU OE2 1 1 11 12559 1 1 23 LYS C C -5.461 3.784 -10.991 1.00 . A A . 23 LYS C 1 1 11 12560 1 1 23 LYS CA C -4.640 2.846 -11.874 1.00 . A A . 23 LYS CA 1 1 11 12561 1 1 23 LYS CB C -4.549 1.458 -11.227 1.00 . A A . 23 LYS CB 1 1 11 12562 1 1 23 LYS CD C -4.446 0.142 -13.431 1.00 . A A . 23 LYS CD 1 1 11 12563 1 1 23 LYS CE C -4.323 -1.354 -13.752 1.00 . A A . 23 LYS CE 1 1 11 12564 1 1 23 LYS CG C -3.810 0.402 -12.060 1.00 . A A . 23 LYS CG 1 1 11 12565 1 1 23 LYS H H -2.515 2.926 -11.675 1.00 . A A . 23 LYS H 1 1 11 12566 1 1 23 LYS HA H -5.150 2.754 -12.834 1.00 . A A . 23 LYS HA 1 1 11 12567 1 1 23 LYS HB2 H -4.041 1.546 -10.266 1.00 . A A . 23 LYS HB2 1 1 11 12568 1 1 23 LYS HB3 H -5.560 1.098 -11.038 1.00 . A A . 23 LYS HB3 1 1 11 12569 1 1 23 LYS HD2 H -5.501 0.419 -13.414 1.00 . A A . 23 LYS HD2 1 1 11 12570 1 1 23 LYS HD3 H -3.921 0.757 -14.167 1.00 . A A . 23 LYS HD3 1 1 11 12571 1 1 23 LYS HE2 H -3.364 -1.743 -13.403 1.00 . A A . 23 LYS HE2 1 1 11 12572 1 1 23 LYS HE3 H -5.120 -1.881 -13.226 1.00 . A A . 23 LYS HE3 1 1 11 12573 1 1 23 LYS HG2 H -2.775 0.698 -12.228 1.00 . A A . 23 LYS HG2 1 1 11 12574 1 1 23 LYS HG3 H -3.814 -0.515 -11.466 1.00 . A A . 23 LYS HG3 1 1 11 12575 1 1 23 LYS HZ1 H -4.409 -2.641 -15.323 1.00 . A A . 23 LYS HZ1 1 1 11 12576 1 1 23 LYS HZ2 H -5.326 -1.291 -15.539 1.00 . A A . 23 LYS HZ2 1 1 11 12577 1 1 23 LYS HZ3 H -3.680 -1.207 -15.692 1.00 . A A . 23 LYS HZ3 1 1 11 12578 1 1 23 LYS N N -3.313 3.390 -12.095 1.00 . A A . 23 LYS N 1 1 11 12579 1 1 23 LYS NZ N -4.445 -1.639 -15.192 1.00 . A A . 23 LYS NZ 1 1 11 12580 1 1 23 LYS O O -6.656 3.952 -11.225 1.00 . A A . 23 LYS O 1 1 11 12581 1 1 24 LEU C C -5.454 6.540 -9.063 1.00 . A A . 24 LEU C 1 1 11 12582 1 1 24 LEU CA C -5.554 5.023 -8.872 1.00 . A A . 24 LEU CA 1 1 11 12583 1 1 24 LEU CB C -5.053 4.559 -7.494 1.00 . A A . 24 LEU CB 1 1 11 12584 1 1 24 LEU CD1 C -4.015 2.707 -6.118 1.00 . A A . 24 LEU CD1 1 1 11 12585 1 1 24 LEU CD2 C -5.926 2.148 -7.647 1.00 . A A . 24 LEU CD2 1 1 11 12586 1 1 24 LEU CG C -4.715 3.053 -7.433 1.00 . A A . 24 LEU CG 1 1 11 12587 1 1 24 LEU H H -3.845 4.194 -9.822 1.00 . A A . 24 LEU H 1 1 11 12588 1 1 24 LEU HA H -6.612 4.759 -8.912 1.00 . A A . 24 LEU HA 1 1 11 12589 1 1 24 LEU HB2 H -4.169 5.136 -7.228 1.00 . A A . 24 LEU HB2 1 1 11 12590 1 1 24 LEU HB3 H -5.819 4.787 -6.753 1.00 . A A . 24 LEU HB3 1 1 11 12591 1 1 24 LEU HD11 H -3.708 1.663 -6.135 1.00 . A A . 24 LEU HD11 1 1 11 12592 1 1 24 LEU HD12 H -3.142 3.342 -5.982 1.00 . A A . 24 LEU HD12 1 1 11 12593 1 1 24 LEU HD13 H -4.674 2.862 -5.278 1.00 . A A . 24 LEU HD13 1 1 11 12594 1 1 24 LEU HD21 H -6.701 2.356 -6.917 1.00 . A A . 24 LEU HD21 1 1 11 12595 1 1 24 LEU HD22 H -6.328 2.296 -8.647 1.00 . A A . 24 LEU HD22 1 1 11 12596 1 1 24 LEU HD23 H -5.598 1.113 -7.548 1.00 . A A . 24 LEU HD23 1 1 11 12597 1 1 24 LEU HG H -4.020 2.784 -8.219 1.00 . A A . 24 LEU HG 1 1 11 12598 1 1 24 LEU N N -4.841 4.338 -9.942 1.00 . A A . 24 LEU N 1 1 11 12599 1 1 24 LEU O O -6.479 7.216 -9.085 1.00 . A A . 24 LEU O 1 1 11 12600 1 1 25 GLY C C -2.641 8.871 -9.070 1.00 . A A . 25 GLY C 1 1 11 12601 1 1 25 GLY CA C -3.999 8.451 -9.611 1.00 . A A . 25 GLY CA 1 1 11 12602 1 1 25 GLY H H -3.404 6.481 -9.301 1.00 . A A . 25 GLY H 1 1 11 12603 1 1 25 GLY HA2 H -3.971 8.515 -10.699 1.00 . A A . 25 GLY HA2 1 1 11 12604 1 1 25 GLY HA3 H -4.775 9.114 -9.226 1.00 . A A . 25 GLY HA3 1 1 11 12605 1 1 25 GLY N N -4.238 7.069 -9.238 1.00 . A A . 25 GLY N 1 1 11 12606 1 1 25 GLY O O -1.647 8.863 -9.793 1.00 . A A . 25 GLY O 1 1 11 12607 1 1 26 CYS C C -1.846 10.018 -5.636 1.00 . A A . 26 CYS C 1 1 11 12608 1 1 26 CYS CA C -1.404 9.605 -7.034 1.00 . A A . 26 CYS CA 1 1 11 12609 1 1 26 CYS CB C -0.643 10.754 -7.682 1.00 . A A . 26 CYS CB 1 1 11 12610 1 1 26 CYS H H -3.509 9.190 -7.295 1.00 . A A . 26 CYS H 1 1 11 12611 1 1 26 CYS HA H -0.772 8.725 -6.949 1.00 . A A . 26 CYS HA 1 1 11 12612 1 1 26 CYS HB2 H -0.729 10.777 -8.764 1.00 . A A . 26 CYS HB2 1 1 11 12613 1 1 26 CYS HB3 H -1.023 11.710 -7.323 1.00 . A A . 26 CYS HB3 1 1 11 12614 1 1 26 CYS N N -2.606 9.222 -7.785 1.00 . A A . 26 CYS N 1 1 11 12615 1 1 26 CYS O O -1.366 9.500 -4.627 1.00 . A A . 26 CYS O 1 1 11 12616 1 1 26 CYS SG S 1.122 10.662 -7.272 1.00 . A A . 26 CYS SG 1 1 11 12617 1 1 27 ASP C C -3.962 10.252 -3.555 1.00 . A A . 27 ASP C 1 1 11 12618 1 1 27 ASP CA C -3.724 11.348 -4.584 1.00 . A A . 27 ASP CA 1 1 11 12619 1 1 27 ASP CB C -5.056 11.765 -5.229 1.00 . A A . 27 ASP CB 1 1 11 12620 1 1 27 ASP CG C -5.733 10.662 -6.058 1.00 . A A . 27 ASP CG 1 1 11 12621 1 1 27 ASP H H -3.279 10.966 -6.560 1.00 . A A . 27 ASP H 1 1 11 12622 1 1 27 ASP HA H -3.282 12.212 -4.088 1.00 . A A . 27 ASP HA 1 1 11 12623 1 1 27 ASP HB2 H -5.729 12.073 -4.427 1.00 . A A . 27 ASP HB2 1 1 11 12624 1 1 27 ASP HB3 H -4.886 12.626 -5.875 1.00 . A A . 27 ASP HB3 1 1 11 12625 1 1 27 ASP N N -2.842 10.905 -5.651 1.00 . A A . 27 ASP N 1 1 11 12626 1 1 27 ASP O O -3.879 10.496 -2.354 1.00 . A A . 27 ASP O 1 1 11 12627 1 1 27 ASP OD1 O -4.994 9.777 -6.566 1.00 . A A . 27 ASP OD1 1 1 11 12628 1 1 27 ASP OD2 O -6.972 10.722 -6.165 1.00 . A A . 27 ASP OD2 1 1 11 12629 1 1 28 ALA C C -3.428 7.749 -2.102 1.00 . A A . 28 ALA C 1 1 11 12630 1 1 28 ALA CA C -4.347 7.801 -3.328 1.00 . A A . 28 ALA CA 1 1 11 12631 1 1 28 ALA CB C -4.028 6.654 -4.291 1.00 . A A . 28 ALA CB 1 1 11 12632 1 1 28 ALA H H -4.366 9.030 -5.071 1.00 . A A . 28 ALA H 1 1 11 12633 1 1 28 ALA HA H -5.382 7.714 -3.006 1.00 . A A . 28 ALA HA 1 1 11 12634 1 1 28 ALA HB1 H -3.064 6.830 -4.767 1.00 . A A . 28 ALA HB1 1 1 11 12635 1 1 28 ALA HB2 H -3.983 5.713 -3.745 1.00 . A A . 28 ALA HB2 1 1 11 12636 1 1 28 ALA HB3 H -4.797 6.595 -5.062 1.00 . A A . 28 ALA HB3 1 1 11 12637 1 1 28 ALA N N -4.233 9.048 -4.061 1.00 . A A . 28 ALA N 1 1 11 12638 1 1 28 ALA O O -3.855 7.325 -1.031 1.00 . A A . 28 ALA O 1 1 11 12639 1 1 29 CYS C C -0.417 9.472 -1.095 1.00 . A A . 29 CYS C 1 1 11 12640 1 1 29 CYS CA C -1.136 8.127 -1.247 1.00 . A A . 29 CYS CA 1 1 11 12641 1 1 29 CYS CB C -0.145 7.040 -1.569 1.00 . A A . 29 CYS CB 1 1 11 12642 1 1 29 CYS H H -1.921 8.469 -3.215 1.00 . A A . 29 CYS H 1 1 11 12643 1 1 29 CYS HA H -1.586 7.893 -0.281 1.00 . A A . 29 CYS HA 1 1 11 12644 1 1 29 CYS HB2 H 0.420 7.350 -2.449 1.00 . A A . 29 CYS HB2 1 1 11 12645 1 1 29 CYS HB3 H 0.537 6.900 -0.733 1.00 . A A . 29 CYS HB3 1 1 11 12646 1 1 29 CYS N N -2.167 8.156 -2.282 1.00 . A A . 29 CYS N 1 1 11 12647 1 1 29 CYS O O 0.011 9.811 0.006 1.00 . A A . 29 CYS O 1 1 11 12648 1 1 29 CYS SG S -1.020 5.481 -1.898 1.00 . A A . 29 CYS SG 1 1 11 12649 1 1 30 HIS C C -0.319 12.571 -2.796 1.00 . A A . 30 HIS C 1 1 11 12650 1 1 30 HIS CA C 0.544 11.447 -2.226 1.00 . A A . 30 HIS CA 1 1 11 12651 1 1 30 HIS CB C 1.755 11.271 -3.140 1.00 . A A . 30 HIS CB 1 1 11 12652 1 1 30 HIS CD2 C 2.865 9.068 -3.646 1.00 . A A . 30 HIS CD2 1 1 11 12653 1 1 30 HIS CE1 C 4.590 9.159 -2.324 1.00 . A A . 30 HIS CE1 1 1 11 12654 1 1 30 HIS CG C 2.670 10.124 -2.812 1.00 . A A . 30 HIS CG 1 1 11 12655 1 1 30 HIS H H -0.645 9.938 -3.065 1.00 . A A . 30 HIS H 1 1 11 12656 1 1 30 HIS HA H 0.900 11.720 -1.231 1.00 . A A . 30 HIS HA 1 1 11 12657 1 1 30 HIS HB2 H 1.392 11.129 -4.161 1.00 . A A . 30 HIS HB2 1 1 11 12658 1 1 30 HIS HB3 H 2.309 12.207 -3.125 1.00 . A A . 30 HIS HB3 1 1 11 12659 1 1 30 HIS HD1 H 3.942 10.933 -1.338 1.00 . A A . 30 HIS HD1 1 1 11 12660 1 1 30 HIS HD2 H 2.261 8.818 -4.494 1.00 . A A . 30 HIS HD2 1 1 11 12661 1 1 30 HIS HE1 H 5.566 8.940 -1.919 1.00 . A A . 30 HIS HE1 1 1 11 12662 1 1 30 HIS N N -0.230 10.220 -2.188 1.00 . A A . 30 HIS N 1 1 11 12663 1 1 30 HIS ND1 N 3.767 10.182 -1.986 1.00 . A A . 30 HIS ND1 1 1 11 12664 1 1 30 HIS NE2 N 4.080 8.462 -3.347 1.00 . A A . 30 HIS NE2 1 1 11 12665 1 1 30 HIS O O -0.631 12.568 -3.983 1.00 . A A . 30 HIS O 1 1 11 12666 1 1 31 GLU C C -0.780 15.617 -3.300 1.00 . A A . 31 GLU C 1 1 11 12667 1 1 31 GLU CA C -1.514 14.663 -2.371 1.00 . A A . 31 GLU CA 1 1 11 12668 1 1 31 GLU CB C -1.981 15.433 -1.129 1.00 . A A . 31 GLU CB 1 1 11 12669 1 1 31 GLU CD C -3.419 15.139 0.912 1.00 . A A . 31 GLU CD 1 1 11 12670 1 1 31 GLU CG C -2.488 14.452 -0.079 1.00 . A A . 31 GLU CG 1 1 11 12671 1 1 31 GLU H H -0.329 13.493 -1.012 1.00 . A A . 31 GLU H 1 1 11 12672 1 1 31 GLU HA H -2.389 14.266 -2.888 1.00 . A A . 31 GLU HA 1 1 11 12673 1 1 31 GLU HB2 H -1.190 16.039 -0.686 1.00 . A A . 31 GLU HB2 1 1 11 12674 1 1 31 GLU HB3 H -2.797 16.095 -1.430 1.00 . A A . 31 GLU HB3 1 1 11 12675 1 1 31 GLU HG2 H -3.009 13.677 -0.629 1.00 . A A . 31 GLU HG2 1 1 11 12676 1 1 31 GLU HG3 H -1.663 14.003 0.471 1.00 . A A . 31 GLU HG3 1 1 11 12677 1 1 31 GLU N N -0.646 13.558 -1.968 1.00 . A A . 31 GLU N 1 1 11 12678 1 1 31 GLU O O -1.261 16.004 -4.363 1.00 . A A . 31 GLU O 1 1 11 12679 1 1 31 GLU OE1 O -4.528 15.518 0.478 1.00 . A A . 31 GLU OE1 1 1 11 12680 1 1 31 GLU OE2 O -2.987 15.304 2.072 1.00 . A A . 31 GLU OE2 1 1 11 12681 1 1 32 GLY C C 2.652 16.779 -3.185 1.00 . A A . 32 GLY C 1 1 11 12682 1 1 32 GLY CA C 1.179 17.113 -3.364 1.00 . A A . 32 GLY CA 1 1 11 12683 1 1 32 GLY H H 0.677 15.614 -1.954 1.00 . A A . 32 GLY H 1 1 11 12684 1 1 32 GLY HA2 H 0.944 17.272 -4.417 1.00 . A A . 32 GLY HA2 1 1 11 12685 1 1 32 GLY HA3 H 0.957 18.027 -2.813 1.00 . A A . 32 GLY HA3 1 1 11 12686 1 1 32 GLY N N 0.385 16.035 -2.821 1.00 . A A . 32 GLY N 1 1 11 12687 1 1 32 GLY O O 3.102 16.502 -2.075 1.00 . A A . 32 GLY O 1 1 11 12688 1 1 33 THR C C 5.402 15.556 -3.577 1.00 . A A . 33 THR C 1 1 11 12689 1 1 33 THR CA C 4.842 16.755 -4.356 1.00 . A A . 33 THR CA 1 1 11 12690 1 1 33 THR CB C 5.433 18.095 -3.890 1.00 . A A . 33 THR CB 1 1 11 12691 1 1 33 THR CG2 C 5.099 19.222 -4.874 1.00 . A A . 33 THR CG2 1 1 11 12692 1 1 33 THR H H 2.889 17.012 -5.137 1.00 . A A . 33 THR H 1 1 11 12693 1 1 33 THR HA H 5.132 16.651 -5.400 1.00 . A A . 33 THR HA 1 1 11 12694 1 1 33 THR HB H 6.513 17.982 -3.850 1.00 . A A . 33 THR HB 1 1 11 12695 1 1 33 THR HG1 H 4.794 17.659 -2.107 1.00 . A A . 33 THR HG1 1 1 11 12696 1 1 33 THR HG21 H 5.578 20.143 -4.540 1.00 . A A . 33 THR HG21 1 1 11 12697 1 1 33 THR HG22 H 5.467 18.975 -5.870 1.00 . A A . 33 THR HG22 1 1 11 12698 1 1 33 THR HG23 H 4.022 19.381 -4.916 1.00 . A A . 33 THR HG23 1 1 11 12699 1 1 33 THR N N 3.389 16.816 -4.293 1.00 . A A . 33 THR N 1 1 11 12700 1 1 33 THR O O 5.915 15.733 -2.473 1.00 . A A . 33 THR O 1 1 11 12701 1 1 33 THR OG1 O 4.950 18.467 -2.616 1.00 . A A . 33 THR OG1 1 1 11 12702 1 1 34 PRO C C 7.251 13.105 -3.260 1.00 . A A . 34 PRO C 1 1 11 12703 1 1 34 PRO CA C 5.736 13.135 -3.432 1.00 . A A . 34 PRO CA 1 1 11 12704 1 1 34 PRO CB C 5.274 11.972 -4.297 1.00 . A A . 34 PRO CB 1 1 11 12705 1 1 34 PRO CD C 4.790 14.006 -5.444 1.00 . A A . 34 PRO CD 1 1 11 12706 1 1 34 PRO CG C 5.231 12.565 -5.694 1.00 . A A . 34 PRO CG 1 1 11 12707 1 1 34 PRO HA H 5.248 13.062 -2.462 1.00 . A A . 34 PRO HA 1 1 11 12708 1 1 34 PRO HB2 H 5.917 11.100 -4.206 1.00 . A A . 34 PRO HB2 1 1 11 12709 1 1 34 PRO HB3 H 4.257 11.710 -4.047 1.00 . A A . 34 PRO HB3 1 1 11 12710 1 1 34 PRO HD2 H 5.197 14.638 -6.233 1.00 . A A . 34 PRO HD2 1 1 11 12711 1 1 34 PRO HD3 H 3.700 14.066 -5.435 1.00 . A A . 34 PRO HD3 1 1 11 12712 1 1 34 PRO HG2 H 6.232 12.549 -6.121 1.00 . A A . 34 PRO HG2 1 1 11 12713 1 1 34 PRO HG3 H 4.525 12.016 -6.305 1.00 . A A . 34 PRO HG3 1 1 11 12714 1 1 34 PRO N N 5.304 14.334 -4.124 1.00 . A A . 34 PRO N 1 1 11 12715 1 1 34 PRO O O 7.995 13.461 -4.173 1.00 . A A . 34 PRO O 1 1 11 12716 1 1 35 ALA C C 9.174 11.459 -0.631 1.00 . A A . 35 ALA C 1 1 11 12717 1 1 35 ALA CA C 9.098 12.499 -1.747 1.00 . A A . 35 ALA CA 1 1 11 12718 1 1 35 ALA CB C 9.653 13.864 -1.335 1.00 . A A . 35 ALA CB 1 1 11 12719 1 1 35 ALA H H 7.027 12.376 -1.384 1.00 . A A . 35 ALA H 1 1 11 12720 1 1 35 ALA HA H 9.664 12.137 -2.606 1.00 . A A . 35 ALA HA 1 1 11 12721 1 1 35 ALA HB1 H 9.078 14.265 -0.499 1.00 . A A . 35 ALA HB1 1 1 11 12722 1 1 35 ALA HB2 H 10.699 13.766 -1.046 1.00 . A A . 35 ALA HB2 1 1 11 12723 1 1 35 ALA HB3 H 9.577 14.551 -2.179 1.00 . A A . 35 ALA HB3 1 1 11 12724 1 1 35 ALA N N 7.696 12.640 -2.094 1.00 . A A . 35 ALA N 1 1 11 12725 1 1 35 ALA O O 9.429 11.794 0.523 1.00 . A A . 35 ALA O 1 1 11 12726 1 1 36 LYS C C 7.499 9.243 0.841 1.00 . A A . 36 LYS C 1 1 11 12727 1 1 36 LYS CA C 8.635 9.047 -0.165 1.00 . A A . 36 LYS CA 1 1 11 12728 1 1 36 LYS CB C 9.918 8.446 0.442 1.00 . A A . 36 LYS CB 1 1 11 12729 1 1 36 LYS CD C 11.704 8.588 2.228 1.00 . A A . 36 LYS CD 1 1 11 12730 1 1 36 LYS CE C 10.995 7.889 3.399 1.00 . A A . 36 LYS CE 1 1 11 12731 1 1 36 LYS CG C 10.694 9.373 1.383 1.00 . A A . 36 LYS CG 1 1 11 12732 1 1 36 LYS H H 8.726 10.074 -1.996 1.00 . A A . 36 LYS H 1 1 11 12733 1 1 36 LYS HA H 8.246 8.295 -0.839 1.00 . A A . 36 LYS HA 1 1 11 12734 1 1 36 LYS HB2 H 9.638 7.542 0.975 1.00 . A A . 36 LYS HB2 1 1 11 12735 1 1 36 LYS HB3 H 10.598 8.145 -0.354 1.00 . A A . 36 LYS HB3 1 1 11 12736 1 1 36 LYS HD2 H 12.217 7.871 1.581 1.00 . A A . 36 LYS HD2 1 1 11 12737 1 1 36 LYS HD3 H 12.439 9.296 2.615 1.00 . A A . 36 LYS HD3 1 1 11 12738 1 1 36 LYS HE2 H 10.535 8.647 4.037 1.00 . A A . 36 LYS HE2 1 1 11 12739 1 1 36 LYS HE3 H 10.205 7.236 3.029 1.00 . A A . 36 LYS HE3 1 1 11 12740 1 1 36 LYS HG2 H 11.242 10.088 0.765 1.00 . A A . 36 LYS HG2 1 1 11 12741 1 1 36 LYS HG3 H 10.013 9.922 2.037 1.00 . A A . 36 LYS HG3 1 1 11 12742 1 1 36 LYS HZ1 H 11.407 6.648 4.969 1.00 . A A . 36 LYS HZ1 1 1 11 12743 1 1 36 LYS HZ2 H 12.325 6.344 3.638 1.00 . A A . 36 LYS HZ2 1 1 11 12744 1 1 36 LYS HZ3 H 12.655 7.652 4.589 1.00 . A A . 36 LYS HZ3 1 1 11 12745 1 1 36 LYS N N 8.888 10.209 -1.010 1.00 . A A . 36 LYS N 1 1 11 12746 1 1 36 LYS NZ N 11.919 7.073 4.208 1.00 . A A . 36 LYS NZ 1 1 11 12747 1 1 36 LYS O O 6.971 10.341 1.001 1.00 . A A . 36 LYS O 1 1 11 12748 1 1 37 ILE C C 7.107 7.444 3.811 1.00 . A A . 37 ILE C 1 1 11 12749 1 1 37 ILE CA C 6.330 8.207 2.732 1.00 . A A . 37 ILE CA 1 1 11 12750 1 1 37 ILE CB C 4.832 7.826 2.539 1.00 . A A . 37 ILE CB 1 1 11 12751 1 1 37 ILE CD1 C 2.875 7.698 0.876 1.00 . A A . 37 ILE CD1 1 1 11 12752 1 1 37 ILE CG1 C 4.350 8.043 1.094 1.00 . A A . 37 ILE CG1 1 1 11 12753 1 1 37 ILE CG2 C 3.996 8.647 3.530 1.00 . A A . 37 ILE CG2 1 1 11 12754 1 1 37 ILE H H 7.495 7.252 1.227 1.00 . A A . 37 ILE H 1 1 11 12755 1 1 37 ILE HA H 6.338 9.231 3.088 1.00 . A A . 37 ILE HA 1 1 11 12756 1 1 37 ILE HB H 4.629 6.782 2.746 1.00 . A A . 37 ILE HB 1 1 11 12757 1 1 37 ILE HD11 H 2.665 7.742 -0.193 1.00 . A A . 37 ILE HD11 1 1 11 12758 1 1 37 ILE HD12 H 2.660 6.695 1.242 1.00 . A A . 37 ILE HD12 1 1 11 12759 1 1 37 ILE HD13 H 2.232 8.420 1.382 1.00 . A A . 37 ILE HD13 1 1 11 12760 1 1 37 ILE HG12 H 4.502 9.077 0.806 1.00 . A A . 37 ILE HG12 1 1 11 12761 1 1 37 ILE HG13 H 4.927 7.402 0.428 1.00 . A A . 37 ILE HG13 1 1 11 12762 1 1 37 ILE HG21 H 4.403 8.540 4.536 1.00 . A A . 37 ILE HG21 1 1 11 12763 1 1 37 ILE HG22 H 4.011 9.701 3.252 1.00 . A A . 37 ILE HG22 1 1 11 12764 1 1 37 ILE HG23 H 2.964 8.297 3.544 1.00 . A A . 37 ILE HG23 1 1 11 12765 1 1 37 ILE N N 7.108 8.146 1.502 1.00 . A A . 37 ILE N 1 1 11 12766 1 1 37 ILE O O 8.021 7.999 4.416 1.00 . A A . 37 ILE O 1 1 11 12767 1 1 38 ALA C C 6.470 3.999 5.010 1.00 . A A . 38 ALA C 1 1 11 12768 1 1 38 ALA CA C 7.317 5.269 5.025 1.00 . A A . 38 ALA CA 1 1 11 12769 1 1 38 ALA CB C 7.228 5.913 6.412 1.00 . A A . 38 ALA CB 1 1 11 12770 1 1 38 ALA H H 6.115 5.764 3.386 1.00 . A A . 38 ALA H 1 1 11 12771 1 1 38 ALA HA H 8.353 5.013 4.802 1.00 . A A . 38 ALA HA 1 1 11 12772 1 1 38 ALA HB1 H 7.962 6.708 6.521 1.00 . A A . 38 ALA HB1 1 1 11 12773 1 1 38 ALA HB2 H 6.227 6.318 6.558 1.00 . A A . 38 ALA HB2 1 1 11 12774 1 1 38 ALA HB3 H 7.422 5.159 7.177 1.00 . A A . 38 ALA HB3 1 1 11 12775 1 1 38 ALA N N 6.794 6.164 4.001 1.00 . A A . 38 ALA N 1 1 11 12776 1 1 38 ALA O O 7.000 2.905 4.868 1.00 . A A . 38 ALA O 1 1 11 12777 1 1 39 ILE C C 4.528 2.136 6.380 1.00 . A A . 39 ILE C 1 1 11 12778 1 1 39 ILE CA C 4.141 3.161 5.309 1.00 . A A . 39 ILE CA 1 1 11 12779 1 1 39 ILE CB C 3.715 2.577 3.962 1.00 . A A . 39 ILE CB 1 1 11 12780 1 1 39 ILE CD1 C 1.604 4.076 3.589 1.00 . A A . 39 ILE CD1 1 1 11 12781 1 1 39 ILE CG1 C 3.016 3.676 3.139 1.00 . A A . 39 ILE CG1 1 1 11 12782 1 1 39 ILE CG2 C 2.813 1.348 4.120 1.00 . A A . 39 ILE CG2 1 1 11 12783 1 1 39 ILE H H 4.814 5.141 5.087 1.00 . A A . 39 ILE H 1 1 11 12784 1 1 39 ILE HA H 3.267 3.678 5.700 1.00 . A A . 39 ILE HA 1 1 11 12785 1 1 39 ILE HB H 4.614 2.270 3.429 1.00 . A A . 39 ILE HB 1 1 11 12786 1 1 39 ILE HD11 H 1.214 4.818 2.891 1.00 . A A . 39 ILE HD11 1 1 11 12787 1 1 39 ILE HD12 H 0.936 3.215 3.576 1.00 . A A . 39 ILE HD12 1 1 11 12788 1 1 39 ILE HD13 H 1.608 4.519 4.584 1.00 . A A . 39 ILE HD13 1 1 11 12789 1 1 39 ILE HG12 H 3.638 4.567 3.107 1.00 . A A . 39 ILE HG12 1 1 11 12790 1 1 39 ILE HG13 H 2.936 3.313 2.128 1.00 . A A . 39 ILE HG13 1 1 11 12791 1 1 39 ILE HG21 H 2.460 1.025 3.147 1.00 . A A . 39 ILE HG21 1 1 11 12792 1 1 39 ILE HG22 H 3.373 0.521 4.546 1.00 . A A . 39 ILE HG22 1 1 11 12793 1 1 39 ILE HG23 H 1.964 1.575 4.762 1.00 . A A . 39 ILE HG23 1 1 11 12794 1 1 39 ILE N N 5.151 4.192 5.125 1.00 . A A . 39 ILE N 1 1 11 12795 1 1 39 ILE O O 5.167 1.119 6.124 1.00 . A A . 39 ILE O 1 1 11 12796 1 1 40 ASP C C 2.853 0.856 8.954 1.00 . A A . 40 ASP C 1 1 11 12797 1 1 40 ASP CA C 4.176 1.577 8.768 1.00 . A A . 40 ASP CA 1 1 11 12798 1 1 40 ASP CB C 4.383 2.400 10.049 1.00 . A A . 40 ASP CB 1 1 11 12799 1 1 40 ASP CG C 5.494 3.435 9.994 1.00 . A A . 40 ASP CG 1 1 11 12800 1 1 40 ASP H H 3.449 3.223 7.636 1.00 . A A . 40 ASP H 1 1 11 12801 1 1 40 ASP HA H 5.010 0.885 8.643 1.00 . A A . 40 ASP HA 1 1 11 12802 1 1 40 ASP HB2 H 3.451 2.901 10.291 1.00 . A A . 40 ASP HB2 1 1 11 12803 1 1 40 ASP HB3 H 4.610 1.713 10.863 1.00 . A A . 40 ASP HB3 1 1 11 12804 1 1 40 ASP N N 4.051 2.418 7.587 1.00 . A A . 40 ASP N 1 1 11 12805 1 1 40 ASP O O 1.821 1.368 8.520 1.00 . A A . 40 ASP O 1 1 11 12806 1 1 40 ASP OD1 O 5.314 4.428 9.256 1.00 . A A . 40 ASP OD1 1 1 11 12807 1 1 40 ASP OD2 O 6.467 3.245 10.755 1.00 . A A . 40 ASP OD2 1 1 11 12808 1 1 41 LYS C C 0.613 0.090 10.655 1.00 . A A . 41 LYS C 1 1 11 12809 1 1 41 LYS CA C 1.694 -0.923 10.257 1.00 . A A . 41 LYS CA 1 1 11 12810 1 1 41 LYS CB C 2.119 -1.802 11.450 1.00 . A A . 41 LYS CB 1 1 11 12811 1 1 41 LYS CD C 4.529 -2.044 12.218 1.00 . A A . 41 LYS CD 1 1 11 12812 1 1 41 LYS CE C 5.860 -1.275 12.190 1.00 . A A . 41 LYS CE 1 1 11 12813 1 1 41 LYS CG C 3.237 -1.227 12.364 1.00 . A A . 41 LYS CG 1 1 11 12814 1 1 41 LYS H H 3.780 -0.643 9.902 1.00 . A A . 41 LYS H 1 1 11 12815 1 1 41 LYS HA H 1.279 -1.581 9.495 1.00 . A A . 41 LYS HA 1 1 11 12816 1 1 41 LYS HB2 H 1.237 -1.969 12.054 1.00 . A A . 41 LYS HB2 1 1 11 12817 1 1 41 LYS HB3 H 2.394 -2.790 11.066 1.00 . A A . 41 LYS HB3 1 1 11 12818 1 1 41 LYS HD2 H 4.560 -2.800 13.003 1.00 . A A . 41 LYS HD2 1 1 11 12819 1 1 41 LYS HD3 H 4.459 -2.530 11.258 1.00 . A A . 41 LYS HD3 1 1 11 12820 1 1 41 LYS HE2 H 5.725 -0.333 11.655 1.00 . A A . 41 LYS HE2 1 1 11 12821 1 1 41 LYS HE3 H 6.189 -1.062 13.207 1.00 . A A . 41 LYS HE3 1 1 11 12822 1 1 41 LYS HG2 H 3.441 -0.183 12.143 1.00 . A A . 41 LYS HG2 1 1 11 12823 1 1 41 LYS HG3 H 2.909 -1.286 13.403 1.00 . A A . 41 LYS HG3 1 1 11 12824 1 1 41 LYS HZ1 H 7.783 -1.545 11.428 1.00 . A A . 41 LYS HZ1 1 1 11 12825 1 1 41 LYS HZ2 H 7.075 -2.982 11.798 1.00 . A A . 41 LYS HZ2 1 1 11 12826 1 1 41 LYS HZ3 H 6.625 -2.156 10.482 1.00 . A A . 41 LYS HZ3 1 1 11 12827 1 1 41 LYS N N 2.861 -0.242 9.713 1.00 . A A . 41 LYS N 1 1 11 12828 1 1 41 LYS NZ N 6.905 -2.032 11.457 1.00 . A A . 41 LYS NZ 1 1 11 12829 1 1 41 LYS O O -0.546 -0.023 10.259 1.00 . A A . 41 LYS O 1 1 11 12830 1 1 42 LYS C C -0.645 2.884 10.930 1.00 . A A . 42 LYS C 1 1 11 12831 1 1 42 LYS CA C 0.216 2.165 11.972 1.00 . A A . 42 LYS CA 1 1 11 12832 1 1 42 LYS CB C 1.106 3.195 12.687 1.00 . A A . 42 LYS CB 1 1 11 12833 1 1 42 LYS CD C 2.783 3.684 14.492 1.00 . A A . 42 LYS CD 1 1 11 12834 1 1 42 LYS CE C 3.847 3.084 15.423 1.00 . A A . 42 LYS CE 1 1 11 12835 1 1 42 LYS CG C 2.052 2.575 13.724 1.00 . A A . 42 LYS CG 1 1 11 12836 1 1 42 LYS H H 2.028 1.109 11.588 1.00 . A A . 42 LYS H 1 1 11 12837 1 1 42 LYS HA H -0.462 1.705 12.692 1.00 . A A . 42 LYS HA 1 1 11 12838 1 1 42 LYS HB2 H 1.699 3.732 11.945 1.00 . A A . 42 LYS HB2 1 1 11 12839 1 1 42 LYS HB3 H 0.453 3.913 13.188 1.00 . A A . 42 LYS HB3 1 1 11 12840 1 1 42 LYS HD2 H 3.262 4.345 13.765 1.00 . A A . 42 LYS HD2 1 1 11 12841 1 1 42 LYS HD3 H 2.052 4.258 15.065 1.00 . A A . 42 LYS HD3 1 1 11 12842 1 1 42 LYS HE2 H 3.362 2.429 16.151 1.00 . A A . 42 LYS HE2 1 1 11 12843 1 1 42 LYS HE3 H 4.546 2.487 14.832 1.00 . A A . 42 LYS HE3 1 1 11 12844 1 1 42 LYS HG2 H 1.470 1.955 14.407 1.00 . A A . 42 LYS HG2 1 1 11 12845 1 1 42 LYS HG3 H 2.796 1.958 13.224 1.00 . A A . 42 LYS HG3 1 1 11 12846 1 1 42 LYS HZ1 H 5.307 3.693 16.731 1.00 . A A . 42 LYS HZ1 1 1 11 12847 1 1 42 LYS HZ2 H 5.083 4.727 15.476 1.00 . A A . 42 LYS HZ2 1 1 11 12848 1 1 42 LYS HZ3 H 3.996 4.683 16.714 1.00 . A A . 42 LYS HZ3 1 1 11 12849 1 1 42 LYS N N 1.040 1.102 11.412 1.00 . A A . 42 LYS N 1 1 11 12850 1 1 42 LYS NZ N 4.612 4.126 16.138 1.00 . A A . 42 LYS NZ 1 1 11 12851 1 1 42 LYS O O -1.716 3.377 11.270 1.00 . A A . 42 LYS O 1 1 11 12852 1 1 43 SER C C -1.468 2.469 7.701 1.00 . A A . 43 SER C 1 1 11 12853 1 1 43 SER CA C -0.880 3.580 8.573 1.00 . A A . 43 SER CA 1 1 11 12854 1 1 43 SER CB C 0.089 4.456 7.777 1.00 . A A . 43 SER CB 1 1 11 12855 1 1 43 SER H H 0.719 2.534 9.474 1.00 . A A . 43 SER H 1 1 11 12856 1 1 43 SER HA H -1.693 4.216 8.927 1.00 . A A . 43 SER HA 1 1 11 12857 1 1 43 SER HB2 H 0.911 3.862 7.374 1.00 . A A . 43 SER HB2 1 1 11 12858 1 1 43 SER HB3 H -0.449 4.908 6.949 1.00 . A A . 43 SER HB3 1 1 11 12859 1 1 43 SER HG H 1.093 5.061 9.337 1.00 . A A . 43 SER HG 1 1 11 12860 1 1 43 SER N N -0.161 2.988 9.689 1.00 . A A . 43 SER N 1 1 11 12861 1 1 43 SER O O -2.670 2.421 7.461 1.00 . A A . 43 SER O 1 1 11 12862 1 1 43 SER OG O 0.611 5.469 8.614 1.00 . A A . 43 SER OG 1 1 11 12863 1 1 44 ALA C C -2.183 -0.301 6.800 1.00 . A A . 44 ALA C 1 1 11 12864 1 1 44 ALA CA C -0.896 0.417 6.409 1.00 . A A . 44 ALA CA 1 1 11 12865 1 1 44 ALA CB C 0.278 -0.546 6.530 1.00 . A A . 44 ALA CB 1 1 11 12866 1 1 44 ALA H H 0.361 1.668 7.525 1.00 . A A . 44 ALA H 1 1 11 12867 1 1 44 ALA HA H -0.976 0.732 5.371 1.00 . A A . 44 ALA HA 1 1 11 12868 1 1 44 ALA HB1 H 0.071 -1.395 5.886 1.00 . A A . 44 ALA HB1 1 1 11 12869 1 1 44 ALA HB2 H 1.205 -0.044 6.247 1.00 . A A . 44 ALA HB2 1 1 11 12870 1 1 44 ALA HB3 H 0.378 -0.895 7.555 1.00 . A A . 44 ALA HB3 1 1 11 12871 1 1 44 ALA N N -0.603 1.569 7.240 1.00 . A A . 44 ALA N 1 1 11 12872 1 1 44 ALA O O -3.068 -0.494 5.965 1.00 . A A . 44 ALA O 1 1 11 12873 1 1 45 HIS C C -4.594 -0.619 8.943 1.00 . A A . 45 HIS C 1 1 11 12874 1 1 45 HIS CA C -3.392 -1.503 8.556 1.00 . A A . 45 HIS CA 1 1 11 12875 1 1 45 HIS CB C -2.923 -2.341 9.757 1.00 . A A . 45 HIS CB 1 1 11 12876 1 1 45 HIS CD2 C -1.261 -3.912 8.464 1.00 . A A . 45 HIS CD2 1 1 11 12877 1 1 45 HIS CE1 C -1.359 -5.620 9.832 1.00 . A A . 45 HIS CE1 1 1 11 12878 1 1 45 HIS CG C -2.152 -3.612 9.474 1.00 . A A . 45 HIS CG 1 1 11 12879 1 1 45 HIS H H -1.551 -0.450 8.735 1.00 . A A . 45 HIS H 1 1 11 12880 1 1 45 HIS HA H -3.709 -2.203 7.787 1.00 . A A . 45 HIS HA 1 1 11 12881 1 1 45 HIS HB2 H -2.349 -1.720 10.442 1.00 . A A . 45 HIS HB2 1 1 11 12882 1 1 45 HIS HB3 H -3.808 -2.667 10.304 1.00 . A A . 45 HIS HB3 1 1 11 12883 1 1 45 HIS HD1 H -2.717 -4.763 11.177 1.00 . A A . 45 HIS HD1 1 1 11 12884 1 1 45 HIS HD2 H -0.962 -3.273 7.648 1.00 . A A . 45 HIS HD2 1 1 11 12885 1 1 45 HIS HE1 H -1.171 -6.562 10.312 1.00 . A A . 45 HIS HE1 1 1 11 12886 1 1 45 HIS N N -2.276 -0.711 8.068 1.00 . A A . 45 HIS N 1 1 11 12887 1 1 45 HIS ND1 N -2.193 -4.694 10.318 1.00 . A A . 45 HIS ND1 1 1 11 12888 1 1 45 HIS NE2 N -0.767 -5.208 8.702 1.00 . A A . 45 HIS NE2 1 1 11 12889 1 1 45 HIS O O -5.556 -1.138 9.509 1.00 . A A . 45 HIS O 1 1 11 12890 1 1 46 LYS C C -6.022 2.640 8.320 1.00 . A A . 46 LYS C 1 1 11 12891 1 1 46 LYS CA C -5.387 1.688 9.342 1.00 . A A . 46 LYS CA 1 1 11 12892 1 1 46 LYS CB C -4.522 2.393 10.397 1.00 . A A . 46 LYS CB 1 1 11 12893 1 1 46 LYS CD C -4.900 4.866 10.725 1.00 . A A . 46 LYS CD 1 1 11 12894 1 1 46 LYS CE C -5.505 5.965 11.607 1.00 . A A . 46 LYS CE 1 1 11 12895 1 1 46 LYS CG C -5.222 3.463 11.250 1.00 . A A . 46 LYS CG 1 1 11 12896 1 1 46 LYS H H -3.749 1.063 8.169 1.00 . A A . 46 LYS H 1 1 11 12897 1 1 46 LYS HA H -6.207 1.194 9.867 1.00 . A A . 46 LYS HA 1 1 11 12898 1 1 46 LYS HB2 H -4.155 1.624 11.079 1.00 . A A . 46 LYS HB2 1 1 11 12899 1 1 46 LYS HB3 H -3.660 2.829 9.897 1.00 . A A . 46 LYS HB3 1 1 11 12900 1 1 46 LYS HD2 H -3.816 4.997 10.671 1.00 . A A . 46 LYS HD2 1 1 11 12901 1 1 46 LYS HD3 H -5.313 4.945 9.725 1.00 . A A . 46 LYS HD3 1 1 11 12902 1 1 46 LYS HE2 H -6.546 5.716 11.821 1.00 . A A . 46 LYS HE2 1 1 11 12903 1 1 46 LYS HE3 H -4.952 6.030 12.546 1.00 . A A . 46 LYS HE3 1 1 11 12904 1 1 46 LYS HG2 H -6.299 3.289 11.258 1.00 . A A . 46 LYS HG2 1 1 11 12905 1 1 46 LYS HG3 H -4.842 3.385 12.270 1.00 . A A . 46 LYS HG3 1 1 11 12906 1 1 46 LYS HZ1 H -5.872 7.997 11.505 1.00 . A A . 46 LYS HZ1 1 1 11 12907 1 1 46 LYS HZ2 H -4.564 7.517 10.605 1.00 . A A . 46 LYS HZ2 1 1 11 12908 1 1 46 LYS HZ3 H -6.098 7.185 10.102 1.00 . A A . 46 LYS HZ3 1 1 11 12909 1 1 46 LYS N N -4.536 0.696 8.692 1.00 . A A . 46 LYS N 1 1 11 12910 1 1 46 LYS NZ N -5.491 7.271 10.917 1.00 . A A . 46 LYS NZ 1 1 11 12911 1 1 46 LYS O O -7.239 2.628 8.163 1.00 . A A . 46 LYS O 1 1 11 12912 1 1 47 ASP C C -4.612 4.479 5.515 1.00 . A A . 47 ASP C 1 1 11 12913 1 1 47 ASP CA C -5.661 4.423 6.622 1.00 . A A . 47 ASP CA 1 1 11 12914 1 1 47 ASP CB C -5.910 5.827 7.204 1.00 . A A . 47 ASP CB 1 1 11 12915 1 1 47 ASP CG C -7.226 5.969 7.952 1.00 . A A . 47 ASP CG 1 1 11 12916 1 1 47 ASP H H -4.217 3.316 7.713 1.00 . A A . 47 ASP H 1 1 11 12917 1 1 47 ASP HA H -6.583 4.079 6.157 1.00 . A A . 47 ASP HA 1 1 11 12918 1 1 47 ASP HB2 H -5.064 6.144 7.811 1.00 . A A . 47 ASP HB2 1 1 11 12919 1 1 47 ASP HB3 H -5.996 6.529 6.373 1.00 . A A . 47 ASP HB3 1 1 11 12920 1 1 47 ASP N N -5.217 3.458 7.629 1.00 . A A . 47 ASP N 1 1 11 12921 1 1 47 ASP O O -4.084 5.536 5.179 1.00 . A A . 47 ASP O 1 1 11 12922 1 1 47 ASP OD1 O -8.265 5.571 7.388 1.00 . A A . 47 ASP OD1 1 1 11 12923 1 1 47 ASP OD2 O -7.163 6.520 9.074 1.00 . A A . 47 ASP OD2 1 1 11 12924 1 1 48 ALA C C -4.074 1.943 3.003 1.00 . A A . 48 ALA C 1 1 11 12925 1 1 48 ALA CA C -3.612 3.231 3.675 1.00 . A A . 48 ALA CA 1 1 11 12926 1 1 48 ALA CB C -2.096 3.340 3.891 1.00 . A A . 48 ALA CB 1 1 11 12927 1 1 48 ALA H H -4.713 2.473 5.317 1.00 . A A . 48 ALA H 1 1 11 12928 1 1 48 ALA HA H -3.918 4.055 3.026 1.00 . A A . 48 ALA HA 1 1 11 12929 1 1 48 ALA HB1 H -1.847 4.352 4.213 1.00 . A A . 48 ALA HB1 1 1 11 12930 1 1 48 ALA HB2 H -1.763 2.651 4.665 1.00 . A A . 48 ALA HB2 1 1 11 12931 1 1 48 ALA HB3 H -1.567 3.137 2.959 1.00 . A A . 48 ALA HB3 1 1 11 12932 1 1 48 ALA N N -4.316 3.319 4.937 1.00 . A A . 48 ALA N 1 1 11 12933 1 1 48 ALA O O -5.212 1.875 2.537 1.00 . A A . 48 ALA O 1 1 11 12934 1 1 49 CYS C C -4.798 -0.929 2.663 1.00 . A A . 49 CYS C 1 1 11 12935 1 1 49 CYS CA C -3.460 -0.303 2.238 1.00 . A A . 49 CYS CA 1 1 11 12936 1 1 49 CYS CB C -2.301 -1.266 2.412 1.00 . A A . 49 CYS CB 1 1 11 12937 1 1 49 CYS H H -2.359 1.003 3.504 1.00 . A A . 49 CYS H 1 1 11 12938 1 1 49 CYS HA H -3.539 -0.043 1.184 1.00 . A A . 49 CYS HA 1 1 11 12939 1 1 49 CYS HB2 H -2.456 -1.793 3.337 1.00 . A A . 49 CYS HB2 1 1 11 12940 1 1 49 CYS HB3 H -2.318 -2.003 1.610 1.00 . A A . 49 CYS HB3 1 1 11 12941 1 1 49 CYS N N -3.225 0.916 2.994 1.00 . A A . 49 CYS N 1 1 11 12942 1 1 49 CYS O O -5.753 -1.017 1.884 1.00 . A A . 49 CYS O 1 1 11 12943 1 1 49 CYS SG S -0.628 -0.543 2.601 1.00 . A A . 49 CYS SG 1 1 11 12944 1 1 50 LYS C C -7.231 -1.099 4.790 1.00 . A A . 50 LYS C 1 1 11 12945 1 1 50 LYS CA C -6.047 -2.034 4.489 1.00 . A A . 50 LYS CA 1 1 11 12946 1 1 50 LYS CB C -5.576 -2.759 5.756 1.00 . A A . 50 LYS CB 1 1 11 12947 1 1 50 LYS CD C -6.369 -4.078 7.722 1.00 . A A . 50 LYS CD 1 1 11 12948 1 1 50 LYS CE C -7.467 -4.993 8.276 1.00 . A A . 50 LYS CE 1 1 11 12949 1 1 50 LYS CG C -6.520 -3.884 6.210 1.00 . A A . 50 LYS CG 1 1 11 12950 1 1 50 LYS H H -4.143 -1.087 4.576 1.00 . A A . 50 LYS H 1 1 11 12951 1 1 50 LYS HA H -6.364 -2.780 3.760 1.00 . A A . 50 LYS HA 1 1 11 12952 1 1 50 LYS HB2 H -4.584 -3.187 5.603 1.00 . A A . 50 LYS HB2 1 1 11 12953 1 1 50 LYS HB3 H -5.505 -1.995 6.529 1.00 . A A . 50 LYS HB3 1 1 11 12954 1 1 50 LYS HD2 H -5.375 -4.477 7.936 1.00 . A A . 50 LYS HD2 1 1 11 12955 1 1 50 LYS HD3 H -6.469 -3.101 8.199 1.00 . A A . 50 LYS HD3 1 1 11 12956 1 1 50 LYS HE2 H -8.440 -4.601 7.975 1.00 . A A . 50 LYS HE2 1 1 11 12957 1 1 50 LYS HE3 H -7.351 -5.997 7.862 1.00 . A A . 50 LYS HE3 1 1 11 12958 1 1 50 LYS HG2 H -7.554 -3.623 5.989 1.00 . A A . 50 LYS HG2 1 1 11 12959 1 1 50 LYS HG3 H -6.279 -4.804 5.674 1.00 . A A . 50 LYS HG3 1 1 11 12960 1 1 50 LYS HZ1 H -6.551 -5.448 10.060 1.00 . A A . 50 LYS HZ1 1 1 11 12961 1 1 50 LYS HZ2 H -7.511 -4.113 10.131 1.00 . A A . 50 LYS HZ2 1 1 11 12962 1 1 50 LYS HZ3 H -8.188 -5.613 10.098 1.00 . A A . 50 LYS HZ3 1 1 11 12963 1 1 50 LYS N N -4.909 -1.302 3.942 1.00 . A A . 50 LYS N 1 1 11 12964 1 1 50 LYS NZ N -7.425 -5.047 9.752 1.00 . A A . 50 LYS NZ 1 1 11 12965 1 1 50 LYS O O -7.915 -1.261 5.797 1.00 . A A . 50 LYS O 1 1 11 12966 1 1 51 THR C C -8.965 1.218 2.567 1.00 . A A . 51 THR C 1 1 11 12967 1 1 51 THR CA C -8.620 0.773 3.980 1.00 . A A . 51 THR CA 1 1 11 12968 1 1 51 THR CB C -8.331 1.937 4.949 1.00 . A A . 51 THR CB 1 1 11 12969 1 1 51 THR CG2 C -8.990 3.263 4.552 1.00 . A A . 51 THR CG2 1 1 11 12970 1 1 51 THR H H -6.909 -0.124 3.070 1.00 . A A . 51 THR H 1 1 11 12971 1 1 51 THR HA H -9.485 0.229 4.357 1.00 . A A . 51 THR HA 1 1 11 12972 1 1 51 THR HB H -7.254 2.095 5.017 1.00 . A A . 51 THR HB 1 1 11 12973 1 1 51 THR HG1 H -8.419 2.136 6.893 1.00 . A A . 51 THR HG1 1 1 11 12974 1 1 51 THR HG21 H -8.524 3.670 3.655 1.00 . A A . 51 THR HG21 1 1 11 12975 1 1 51 THR HG22 H -10.056 3.121 4.379 1.00 . A A . 51 THR HG22 1 1 11 12976 1 1 51 THR HG23 H -8.864 3.989 5.356 1.00 . A A . 51 THR HG23 1 1 11 12977 1 1 51 THR N N -7.492 -0.143 3.901 1.00 . A A . 51 THR N 1 1 11 12978 1 1 51 THR O O -10.120 1.145 2.158 1.00 . A A . 51 THR O 1 1 11 12979 1 1 51 THR OG1 O -8.833 1.577 6.219 1.00 . A A . 51 THR OG1 1 1 11 12980 1 1 52 CYS C C -8.637 0.867 -0.415 1.00 . A A . 52 CYS C 1 1 11 12981 1 1 52 CYS CA C -8.148 2.049 0.430 1.00 . A A . 52 CYS CA 1 1 11 12982 1 1 52 CYS CB C -6.848 2.621 -0.045 1.00 . A A . 52 CYS CB 1 1 11 12983 1 1 52 CYS H H -7.015 1.690 2.185 1.00 . A A . 52 CYS H 1 1 11 12984 1 1 52 CYS HA H -8.907 2.833 0.401 1.00 . A A . 52 CYS HA 1 1 11 12985 1 1 52 CYS HB2 H -6.436 3.233 0.757 1.00 . A A . 52 CYS HB2 1 1 11 12986 1 1 52 CYS HB3 H -6.150 1.814 -0.257 1.00 . A A . 52 CYS HB3 1 1 11 12987 1 1 52 CYS N N -7.959 1.641 1.809 1.00 . A A . 52 CYS N 1 1 11 12988 1 1 52 CYS O O -9.468 1.043 -1.300 1.00 . A A . 52 CYS O 1 1 11 12989 1 1 52 CYS SG S -7.054 3.781 -1.418 1.00 . A A . 52 CYS SG 1 1 11 12990 1 1 53 HIS C C -10.114 -1.793 -0.628 1.00 . A A . 53 HIS C 1 1 11 12991 1 1 53 HIS CA C -8.606 -1.552 -0.807 1.00 . A A . 53 HIS CA 1 1 11 12992 1 1 53 HIS CB C -7.782 -2.760 -0.323 1.00 . A A . 53 HIS CB 1 1 11 12993 1 1 53 HIS CD2 C -5.782 -1.968 -1.714 1.00 . A A . 53 HIS CD2 1 1 11 12994 1 1 53 HIS CE1 C -4.351 -3.541 -1.253 1.00 . A A . 53 HIS CE1 1 1 11 12995 1 1 53 HIS CG C -6.352 -2.791 -0.788 1.00 . A A . 53 HIS CG 1 1 11 12996 1 1 53 HIS H H -7.403 -0.426 0.559 1.00 . A A . 53 HIS H 1 1 11 12997 1 1 53 HIS HA H -8.448 -1.415 -1.877 1.00 . A A . 53 HIS HA 1 1 11 12998 1 1 53 HIS HB2 H -7.780 -2.804 0.765 1.00 . A A . 53 HIS HB2 1 1 11 12999 1 1 53 HIS HB3 H -8.248 -3.665 -0.712 1.00 . A A . 53 HIS HB3 1 1 11 13000 1 1 53 HIS HD1 H -5.608 -4.618 0.025 1.00 . A A . 53 HIS HD1 1 1 11 13001 1 1 53 HIS HD2 H -6.227 -1.129 -2.200 1.00 . A A . 53 HIS HD2 1 1 11 13002 1 1 53 HIS HE1 H -3.477 -4.166 -1.299 1.00 . A A . 53 HIS HE1 1 1 11 13003 1 1 53 HIS N N -8.153 -0.347 -0.121 1.00 . A A . 53 HIS N 1 1 11 13004 1 1 53 HIS ND1 N -5.439 -3.777 -0.497 1.00 . A A . 53 HIS ND1 1 1 11 13005 1 1 53 HIS NE2 N -4.513 -2.449 -2.010 1.00 . A A . 53 HIS NE2 1 1 11 13006 1 1 53 HIS O O -10.874 -1.688 -1.586 1.00 . A A . 53 HIS O 1 1 11 13007 1 1 54 LYS C C -12.829 -2.980 -0.111 1.00 . A A . 54 LYS C 1 1 11 13008 1 1 54 LYS CA C -11.875 -2.531 1.010 1.00 . A A . 54 LYS CA 1 1 11 13009 1 1 54 LYS CB C -12.491 -1.399 1.840 1.00 . A A . 54 LYS CB 1 1 11 13010 1 1 54 LYS CD C -12.325 -0.171 4.054 1.00 . A A . 54 LYS CD 1 1 11 13011 1 1 54 LYS CE C -13.803 -0.235 4.460 1.00 . A A . 54 LYS CE 1 1 11 13012 1 1 54 LYS CG C -11.858 -1.376 3.237 1.00 . A A . 54 LYS CG 1 1 11 13013 1 1 54 LYS H H -9.801 -2.194 1.300 1.00 . A A . 54 LYS H 1 1 11 13014 1 1 54 LYS HA H -11.781 -3.358 1.712 1.00 . A A . 54 LYS HA 1 1 11 13015 1 1 54 LYS HB2 H -12.343 -0.448 1.325 1.00 . A A . 54 LYS HB2 1 1 11 13016 1 1 54 LYS HB3 H -13.560 -1.584 1.945 1.00 . A A . 54 LYS HB3 1 1 11 13017 1 1 54 LYS HD2 H -11.700 -0.135 4.948 1.00 . A A . 54 LYS HD2 1 1 11 13018 1 1 54 LYS HD3 H -12.143 0.720 3.454 1.00 . A A . 54 LYS HD3 1 1 11 13019 1 1 54 LYS HE2 H -14.430 -0.250 3.566 1.00 . A A . 54 LYS HE2 1 1 11 13020 1 1 54 LYS HE3 H -13.982 -1.149 5.028 1.00 . A A . 54 LYS HE3 1 1 11 13021 1 1 54 LYS HG2 H -12.088 -2.298 3.773 1.00 . A A . 54 LYS HG2 1 1 11 13022 1 1 54 LYS HG3 H -10.776 -1.306 3.123 1.00 . A A . 54 LYS HG3 1 1 11 13023 1 1 54 LYS HZ1 H -13.620 0.973 6.118 1.00 . A A . 54 LYS HZ1 1 1 11 13024 1 1 54 LYS HZ2 H -14.049 1.785 4.753 1.00 . A A . 54 LYS HZ2 1 1 11 13025 1 1 54 LYS HZ3 H -15.159 0.866 5.543 1.00 . A A . 54 LYS HZ3 1 1 11 13026 1 1 54 LYS N N -10.515 -2.177 0.592 1.00 . A A . 54 LYS N 1 1 11 13027 1 1 54 LYS NZ N -14.185 0.934 5.280 1.00 . A A . 54 LYS NZ 1 1 11 13028 1 1 54 LYS O O -13.580 -2.167 -0.642 1.00 . A A . 54 LYS O 1 1 11 13029 1 1 55 SER C C -13.567 -4.954 -2.670 1.00 . A A . 55 SER C 1 1 11 13030 1 1 55 SER CA C -13.902 -4.969 -1.180 1.00 . A A . 55 SER CA 1 1 11 13031 1 1 55 SER CB C -15.307 -4.403 -0.928 1.00 . A A . 55 SER CB 1 1 11 13032 1 1 55 SER H H -12.209 -4.883 0.097 1.00 . A A . 55 SER H 1 1 11 13033 1 1 55 SER HA H -13.911 -6.013 -0.862 1.00 . A A . 55 SER HA 1 1 11 13034 1 1 55 SER HB2 H -15.472 -4.278 0.141 1.00 . A A . 55 SER HB2 1 1 11 13035 1 1 55 SER HB3 H -15.408 -3.441 -1.433 1.00 . A A . 55 SER HB3 1 1 11 13036 1 1 55 SER HG H -16.159 -5.297 -2.413 1.00 . A A . 55 SER HG 1 1 11 13037 1 1 55 SER N N -12.881 -4.295 -0.370 1.00 . A A . 55 SER N 1 1 11 13038 1 1 55 SER O O -14.417 -4.641 -3.502 1.00 . A A . 55 SER O 1 1 11 13039 1 1 55 SER OG O -16.278 -5.283 -1.455 1.00 . A A . 55 SER OG 1 1 11 13040 1 1 56 ASN C C -10.851 -6.479 -4.568 1.00 . A A . 56 ASN C 1 1 11 13041 1 1 56 ASN CA C -11.767 -5.272 -4.332 1.00 . A A . 56 ASN CA 1 1 11 13042 1 1 56 ASN CB C -11.029 -3.933 -4.515 1.00 . A A . 56 ASN CB 1 1 11 13043 1 1 56 ASN CG C -9.857 -3.757 -3.548 1.00 . A A . 56 ASN CG 1 1 11 13044 1 1 56 ASN H H -11.695 -5.515 -2.233 1.00 . A A . 56 ASN H 1 1 11 13045 1 1 56 ASN HA H -12.568 -5.318 -5.073 1.00 . A A . 56 ASN HA 1 1 11 13046 1 1 56 ASN HB2 H -10.661 -3.885 -5.540 1.00 . A A . 56 ASN HB2 1 1 11 13047 1 1 56 ASN HB3 H -11.730 -3.112 -4.361 1.00 . A A . 56 ASN HB3 1 1 11 13048 1 1 56 ASN HD21 H -8.855 -2.578 -4.859 1.00 . A A . 56 ASN HD21 1 1 11 13049 1 1 56 ASN HD22 H -7.977 -3.053 -3.408 1.00 . A A . 56 ASN HD22 1 1 11 13050 1 1 56 ASN N N -12.332 -5.326 -2.992 1.00 . A A . 56 ASN N 1 1 11 13051 1 1 56 ASN ND2 N -8.822 -3.041 -3.968 1.00 . A A . 56 ASN ND2 1 1 11 13052 1 1 56 ASN O O -10.965 -7.160 -5.583 1.00 . A A . 56 ASN O 1 1 11 13053 1 1 56 ASN OD1 O -9.861 -4.301 -2.442 1.00 . A A . 56 ASN OD1 1 1 11 13054 1 1 57 ASN C C -9.433 -9.071 -3.100 1.00 . A A . 57 ASN C 1 1 11 13055 1 1 57 ASN CA C -8.918 -7.765 -3.696 1.00 . A A . 57 ASN CA 1 1 11 13056 1 1 57 ASN CB C -7.686 -7.264 -2.928 1.00 . A A . 57 ASN CB 1 1 11 13057 1 1 57 ASN CG C -7.173 -5.942 -3.488 1.00 . A A . 57 ASN CG 1 1 11 13058 1 1 57 ASN H H -9.901 -6.115 -2.830 1.00 . A A . 57 ASN H 1 1 11 13059 1 1 57 ASN HA H -8.646 -7.946 -4.738 1.00 . A A . 57 ASN HA 1 1 11 13060 1 1 57 ASN HB2 H -7.957 -7.105 -1.886 1.00 . A A . 57 ASN HB2 1 1 11 13061 1 1 57 ASN HB3 H -6.888 -8.002 -2.949 1.00 . A A . 57 ASN HB3 1 1 11 13062 1 1 57 ASN HD21 H -6.946 -6.727 -5.337 1.00 . A A . 57 ASN HD21 1 1 11 13063 1 1 57 ASN HD22 H -6.565 -5.018 -5.171 1.00 . A A . 57 ASN HD22 1 1 11 13064 1 1 57 ASN N N -9.947 -6.740 -3.623 1.00 . A A . 57 ASN N 1 1 11 13065 1 1 57 ASN ND2 N -6.937 -5.874 -4.791 1.00 . A A . 57 ASN ND2 1 1 11 13066 1 1 57 ASN O O -10.431 -9.083 -2.380 1.00 . A A . 57 ASN O 1 1 11 13067 1 1 57 ASN OD1 O -7.036 -4.970 -2.755 1.00 . A A . 57 ASN OD1 1 1 11 13068 1 1 58 GLY C C -8.614 -11.702 -1.421 1.00 . A A . 58 GLY C 1 1 11 13069 1 1 58 GLY CA C -9.114 -11.491 -2.858 1.00 . A A . 58 GLY CA 1 1 11 13070 1 1 58 GLY H H -7.913 -10.088 -3.964 1.00 . A A . 58 GLY H 1 1 11 13071 1 1 58 GLY HA2 H -10.199 -11.597 -2.876 1.00 . A A . 58 GLY HA2 1 1 11 13072 1 1 58 GLY HA3 H -8.699 -12.262 -3.509 1.00 . A A . 58 GLY HA3 1 1 11 13073 1 1 58 GLY N N -8.742 -10.179 -3.378 1.00 . A A . 58 GLY N 1 1 11 13074 1 1 58 GLY O O -9.415 -11.893 -0.495 1.00 . A A . 58 GLY O 1 1 11 13075 1 1 59 PRO C C -6.558 -10.612 0.855 1.00 . A A . 59 PRO C 1 1 11 13076 1 1 59 PRO CA C -6.669 -11.930 0.085 1.00 . A A . 59 PRO CA 1 1 11 13077 1 1 59 PRO CB C -5.310 -12.553 -0.240 1.00 . A A . 59 PRO CB 1 1 11 13078 1 1 59 PRO CD C -6.281 -11.739 -2.271 1.00 . A A . 59 PRO CD 1 1 11 13079 1 1 59 PRO CG C -4.939 -11.867 -1.557 1.00 . A A . 59 PRO CG 1 1 11 13080 1 1 59 PRO HA H -7.271 -12.598 0.708 1.00 . A A . 59 PRO HA 1 1 11 13081 1 1 59 PRO HB2 H -4.569 -12.395 0.541 1.00 . A A . 59 PRO HB2 1 1 11 13082 1 1 59 PRO HB3 H -5.432 -13.622 -0.419 1.00 . A A . 59 PRO HB3 1 1 11 13083 1 1 59 PRO HD2 H -6.277 -10.830 -2.873 1.00 . A A . 59 PRO HD2 1 1 11 13084 1 1 59 PRO HD3 H -6.429 -12.610 -2.912 1.00 . A A . 59 PRO HD3 1 1 11 13085 1 1 59 PRO HG2 H -4.564 -10.861 -1.362 1.00 . A A . 59 PRO HG2 1 1 11 13086 1 1 59 PRO HG3 H -4.210 -12.433 -2.138 1.00 . A A . 59 PRO HG3 1 1 11 13087 1 1 59 PRO N N -7.287 -11.718 -1.217 1.00 . A A . 59 PRO N 1 1 11 13088 1 1 59 PRO O O -5.481 -10.127 1.189 1.00 . A A . 59 PRO O 1 1 11 13089 1 1 60 THR C C -7.596 -9.327 3.477 1.00 . A A . 60 THR C 1 1 11 13090 1 1 60 THR CA C -7.870 -8.890 2.038 1.00 . A A . 60 THR CA 1 1 11 13091 1 1 60 THR CB C -9.319 -8.420 1.855 1.00 . A A . 60 THR CB 1 1 11 13092 1 1 60 THR CG2 C -9.474 -7.701 0.515 1.00 . A A . 60 THR CG2 1 1 11 13093 1 1 60 THR H H -8.581 -10.497 0.919 1.00 . A A . 60 THR H 1 1 11 13094 1 1 60 THR HA H -7.171 -8.099 1.757 1.00 . A A . 60 THR HA 1 1 11 13095 1 1 60 THR HB H -9.607 -7.742 2.660 1.00 . A A . 60 THR HB 1 1 11 13096 1 1 60 THR HG1 H -10.341 -9.831 2.730 1.00 . A A . 60 THR HG1 1 1 11 13097 1 1 60 THR HG21 H -9.165 -8.366 -0.291 1.00 . A A . 60 THR HG21 1 1 11 13098 1 1 60 THR HG22 H -10.517 -7.425 0.360 1.00 . A A . 60 THR HG22 1 1 11 13099 1 1 60 THR HG23 H -8.857 -6.802 0.495 1.00 . A A . 60 THR HG23 1 1 11 13100 1 1 60 THR N N -7.716 -10.048 1.182 1.00 . A A . 60 THR N 1 1 11 13101 1 1 60 THR O O -6.834 -8.709 4.217 1.00 . A A . 60 THR O 1 1 11 13102 1 1 60 THR OG1 O -10.165 -9.561 1.827 1.00 . A A . 60 THR OG1 1 1 11 13103 1 1 61 LYS C C -6.764 -11.881 5.217 1.00 . A A . 61 LYS C 1 1 11 13104 1 1 61 LYS CA C -8.094 -11.126 5.125 1.00 . A A . 61 LYS CA 1 1 11 13105 1 1 61 LYS CB C -9.344 -11.990 5.410 1.00 . A A . 61 LYS CB 1 1 11 13106 1 1 61 LYS CD C -10.081 -12.768 3.051 1.00 . A A . 61 LYS CD 1 1 11 13107 1 1 61 LYS CE C -10.840 -13.855 2.283 1.00 . A A . 61 LYS CE 1 1 11 13108 1 1 61 LYS CG C -9.669 -13.177 4.474 1.00 . A A . 61 LYS CG 1 1 11 13109 1 1 61 LYS H H -8.731 -10.904 3.120 1.00 . A A . 61 LYS H 1 1 11 13110 1 1 61 LYS HA H -8.071 -10.361 5.904 1.00 . A A . 61 LYS HA 1 1 11 13111 1 1 61 LYS HB2 H -9.223 -12.398 6.415 1.00 . A A . 61 LYS HB2 1 1 11 13112 1 1 61 LYS HB3 H -10.212 -11.330 5.439 1.00 . A A . 61 LYS HB3 1 1 11 13113 1 1 61 LYS HD2 H -10.721 -11.886 3.115 1.00 . A A . 61 LYS HD2 1 1 11 13114 1 1 61 LYS HD3 H -9.181 -12.566 2.471 1.00 . A A . 61 LYS HD3 1 1 11 13115 1 1 61 LYS HE2 H -10.203 -14.738 2.199 1.00 . A A . 61 LYS HE2 1 1 11 13116 1 1 61 LYS HE3 H -11.745 -14.130 2.829 1.00 . A A . 61 LYS HE3 1 1 11 13117 1 1 61 LYS HG2 H -8.825 -13.870 4.433 1.00 . A A . 61 LYS HG2 1 1 11 13118 1 1 61 LYS HG3 H -10.504 -13.708 4.937 1.00 . A A . 61 LYS HG3 1 1 11 13119 1 1 61 LYS HZ1 H -11.587 -14.144 0.383 1.00 . A A . 61 LYS HZ1 1 1 11 13120 1 1 61 LYS HZ2 H -11.908 -12.652 0.989 1.00 . A A . 61 LYS HZ2 1 1 11 13121 1 1 61 LYS HZ3 H -10.409 -12.986 0.431 1.00 . A A . 61 LYS HZ3 1 1 11 13122 1 1 61 LYS N N -8.217 -10.450 3.847 1.00 . A A . 61 LYS N 1 1 11 13123 1 1 61 LYS NZ N -11.210 -13.380 0.927 1.00 . A A . 61 LYS NZ 1 1 11 13124 1 1 61 LYS O O -6.739 -13.071 5.520 1.00 . A A . 61 LYS O 1 1 11 13125 1 1 62 CYS C C -3.816 -12.484 4.033 1.00 . A A . 62 CYS C 1 1 11 13126 1 1 62 CYS CA C -4.289 -11.596 5.184 1.00 . A A . 62 CYS CA 1 1 11 13127 1 1 62 CYS CB C -4.113 -12.221 6.544 1.00 . A A . 62 CYS CB 1 1 11 13128 1 1 62 CYS H H -5.813 -10.190 4.710 1.00 . A A . 62 CYS H 1 1 11 13129 1 1 62 CYS HA H -3.683 -10.698 5.163 1.00 . A A . 62 CYS HA 1 1 11 13130 1 1 62 CYS HB2 H -4.819 -11.721 7.203 1.00 . A A . 62 CYS HB2 1 1 11 13131 1 1 62 CYS HB3 H -4.344 -13.280 6.496 1.00 . A A . 62 CYS HB3 1 1 11 13132 1 1 62 CYS N N -5.666 -11.148 5.002 1.00 . A A . 62 CYS N 1 1 11 13133 1 1 62 CYS O O -4.592 -12.844 3.151 1.00 . A A . 62 CYS O 1 1 11 13134 1 1 62 CYS SG S -2.448 -11.995 7.237 1.00 . A A . 62 CYS SG 1 1 11 13135 1 1 63 GLY C C -1.958 -12.683 1.607 1.00 . A A . 63 GLY C 1 1 11 13136 1 1 63 GLY CA C -1.855 -13.473 2.912 1.00 . A A . 63 GLY CA 1 1 11 13137 1 1 63 GLY H H -1.939 -12.473 4.787 1.00 . A A . 63 GLY H 1 1 11 13138 1 1 63 GLY HA2 H -0.800 -13.598 3.155 1.00 . A A . 63 GLY HA2 1 1 11 13139 1 1 63 GLY HA3 H -2.308 -14.456 2.777 1.00 . A A . 63 GLY HA3 1 1 11 13140 1 1 63 GLY N N -2.513 -12.781 4.015 1.00 . A A . 63 GLY N 1 1 11 13141 1 1 63 GLY O O -1.996 -13.271 0.530 1.00 . A A . 63 GLY O 1 1 11 13142 1 1 64 GLY C C -0.959 -9.724 0.208 1.00 . A A . 64 GLY C 1 1 11 13143 1 1 64 GLY CA C -2.235 -10.454 0.597 1.00 . A A . 64 GLY CA 1 1 11 13144 1 1 64 GLY H H -1.982 -10.958 2.640 1.00 . A A . 64 GLY H 1 1 11 13145 1 1 64 GLY HA2 H -2.622 -10.985 -0.269 1.00 . A A . 64 GLY HA2 1 1 11 13146 1 1 64 GLY HA3 H -2.967 -9.712 0.923 1.00 . A A . 64 GLY HA3 1 1 11 13147 1 1 64 GLY N N -2.008 -11.352 1.716 1.00 . A A . 64 GLY N 1 1 11 13148 1 1 64 GLY O O -0.448 -9.862 -0.899 1.00 . A A . 64 GLY O 1 1 11 13149 1 1 65 CYS C C 1.885 -8.467 1.328 1.00 . A A . 65 CYS C 1 1 11 13150 1 1 65 CYS CA C 0.536 -7.893 0.898 1.00 . A A . 65 CYS CA 1 1 11 13151 1 1 65 CYS CB C 0.131 -6.651 1.660 1.00 . A A . 65 CYS CB 1 1 11 13152 1 1 65 CYS H H -0.975 -8.846 2.009 1.00 . A A . 65 CYS H 1 1 11 13153 1 1 65 CYS HA H 0.579 -7.648 -0.165 1.00 . A A . 65 CYS HA 1 1 11 13154 1 1 65 CYS HB2 H 0.310 -6.823 2.719 1.00 . A A . 65 CYS HB2 1 1 11 13155 1 1 65 CYS HB3 H 0.724 -5.797 1.337 1.00 . A A . 65 CYS HB3 1 1 11 13156 1 1 65 CYS N N -0.479 -8.904 1.138 1.00 . A A . 65 CYS N 1 1 11 13157 1 1 65 CYS O O 2.842 -8.486 0.553 1.00 . A A . 65 CYS O 1 1 11 13158 1 1 65 CYS SG S -1.650 -6.318 1.383 1.00 . A A . 65 CYS SG 1 1 11 13159 1 1 66 HIS C C 3.105 -11.089 2.303 1.00 . A A . 66 HIS C 1 1 11 13160 1 1 66 HIS CA C 3.050 -9.771 3.061 1.00 . A A . 66 HIS CA 1 1 11 13161 1 1 66 HIS CB C 2.889 -10.099 4.549 1.00 . A A . 66 HIS CB 1 1 11 13162 1 1 66 HIS CD2 C 1.606 -8.439 5.975 1.00 . A A . 66 HIS CD2 1 1 11 13163 1 1 66 HIS CE1 C 3.228 -7.142 6.642 1.00 . A A . 66 HIS CE1 1 1 11 13164 1 1 66 HIS CG C 2.769 -8.901 5.435 1.00 . A A . 66 HIS CG 1 1 11 13165 1 1 66 HIS H H 1.111 -8.921 3.138 1.00 . A A . 66 HIS H 1 1 11 13166 1 1 66 HIS HA H 3.973 -9.208 2.935 1.00 . A A . 66 HIS HA 1 1 11 13167 1 1 66 HIS HB2 H 2.008 -10.727 4.684 1.00 . A A . 66 HIS HB2 1 1 11 13168 1 1 66 HIS HB3 H 3.753 -10.683 4.867 1.00 . A A . 66 HIS HB3 1 1 11 13169 1 1 66 HIS HD1 H 4.779 -8.158 5.596 1.00 . A A . 66 HIS HD1 1 1 11 13170 1 1 66 HIS HD2 H 0.611 -8.828 5.871 1.00 . A A . 66 HIS HD2 1 1 11 13171 1 1 66 HIS HE1 H 3.749 -6.336 7.130 1.00 . A A . 66 HIS HE1 1 1 11 13172 1 1 66 HIS N N 1.935 -8.983 2.564 1.00 . A A . 66 HIS N 1 1 11 13173 1 1 66 HIS ND1 N 3.795 -8.095 5.867 1.00 . A A . 66 HIS ND1 1 1 11 13174 1 1 66 HIS NE2 N 1.897 -7.318 6.732 1.00 . A A . 66 HIS NE2 1 1 11 13175 1 1 66 HIS O O 2.229 -11.937 2.490 1.00 . A A . 66 HIS O 1 1 11 13176 1 1 67 ILE C C 5.006 -13.483 2.087 1.00 . A A . 67 ILE C 1 1 11 13177 1 1 67 ILE CA C 4.450 -12.605 0.960 1.00 . A A . 67 ILE CA 1 1 11 13178 1 1 67 ILE CB C 5.378 -12.447 -0.255 1.00 . A A . 67 ILE CB 1 1 11 13179 1 1 67 ILE CD1 C 3.417 -11.803 -1.832 1.00 . A A . 67 ILE CD1 1 1 11 13180 1 1 67 ILE CG1 C 4.796 -11.441 -1.271 1.00 . A A . 67 ILE CG1 1 1 11 13181 1 1 67 ILE CG2 C 5.643 -13.806 -0.920 1.00 . A A . 67 ILE CG2 1 1 11 13182 1 1 67 ILE H H 4.847 -10.559 1.411 1.00 . A A . 67 ILE H 1 1 11 13183 1 1 67 ILE HA H 3.526 -13.068 0.610 1.00 . A A . 67 ILE HA 1 1 11 13184 1 1 67 ILE HB H 6.335 -12.047 0.085 1.00 . A A . 67 ILE HB 1 1 11 13185 1 1 67 ILE HD11 H 2.665 -11.794 -1.043 1.00 . A A . 67 ILE HD11 1 1 11 13186 1 1 67 ILE HD12 H 3.135 -11.059 -2.576 1.00 . A A . 67 ILE HD12 1 1 11 13187 1 1 67 ILE HD13 H 3.436 -12.781 -2.309 1.00 . A A . 67 ILE HD13 1 1 11 13188 1 1 67 ILE HG12 H 4.705 -10.457 -0.806 1.00 . A A . 67 ILE HG12 1 1 11 13189 1 1 67 ILE HG13 H 5.492 -11.353 -2.106 1.00 . A A . 67 ILE HG13 1 1 11 13190 1 1 67 ILE HG21 H 6.229 -13.664 -1.828 1.00 . A A . 67 ILE HG21 1 1 11 13191 1 1 67 ILE HG22 H 6.207 -14.451 -0.246 1.00 . A A . 67 ILE HG22 1 1 11 13192 1 1 67 ILE HG23 H 4.706 -14.302 -1.170 1.00 . A A . 67 ILE HG23 1 1 11 13193 1 1 67 ILE N N 4.165 -11.302 1.531 1.00 . A A . 67 ILE N 1 1 11 13194 1 1 67 ILE O O 6.218 -13.601 2.263 1.00 . A A . 67 ILE O 1 1 11 13195 1 1 68 LYS C C 4.758 -16.348 3.130 1.00 . A A . 68 LYS C 1 1 11 13196 1 1 68 LYS CA C 4.363 -15.066 3.866 1.00 . A A . 68 LYS CA 1 1 11 13197 1 1 68 LYS CB C 3.103 -15.287 4.720 1.00 . A A . 68 LYS CB 1 1 11 13198 1 1 68 LYS CD C 2.000 -16.780 6.472 1.00 . A A . 68 LYS CD 1 1 11 13199 1 1 68 LYS CE C 1.231 -15.640 7.154 1.00 . A A . 68 LYS CE 1 1 11 13200 1 1 68 LYS CG C 3.322 -16.311 5.846 1.00 . A A . 68 LYS CG 1 1 11 13201 1 1 68 LYS H H 3.121 -13.805 2.691 1.00 . A A . 68 LYS H 1 1 11 13202 1 1 68 LYS HA H 5.186 -14.748 4.508 1.00 . A A . 68 LYS HA 1 1 11 13203 1 1 68 LYS HB2 H 2.810 -14.330 5.152 1.00 . A A . 68 LYS HB2 1 1 11 13204 1 1 68 LYS HB3 H 2.305 -15.639 4.063 1.00 . A A . 68 LYS HB3 1 1 11 13205 1 1 68 LYS HD2 H 1.394 -17.227 5.679 1.00 . A A . 68 LYS HD2 1 1 11 13206 1 1 68 LYS HD3 H 2.239 -17.558 7.200 1.00 . A A . 68 LYS HD3 1 1 11 13207 1 1 68 LYS HE2 H 1.855 -15.206 7.937 1.00 . A A . 68 LYS HE2 1 1 11 13208 1 1 68 LYS HE3 H 1.000 -14.863 6.423 1.00 . A A . 68 LYS HE3 1 1 11 13209 1 1 68 LYS HG2 H 3.808 -17.197 5.432 1.00 . A A . 68 LYS HG2 1 1 11 13210 1 1 68 LYS HG3 H 3.988 -15.889 6.599 1.00 . A A . 68 LYS HG3 1 1 11 13211 1 1 68 LYS HZ1 H -0.634 -16.494 7.018 1.00 . A A . 68 LYS HZ1 1 1 11 13212 1 1 68 LYS HZ2 H 0.132 -16.820 8.438 1.00 . A A . 68 LYS HZ2 1 1 11 13213 1 1 68 LYS HZ3 H -0.527 -15.334 8.175 1.00 . A A . 68 LYS HZ3 1 1 11 13214 1 1 68 LYS N N 4.088 -14.025 2.890 1.00 . A A . 68 LYS N 1 1 11 13215 1 1 68 LYS NZ N -0.042 -16.109 7.742 1.00 . A A . 68 LYS NZ 1 1 11 13216 1 1 68 LYS O O 5.588 -17.092 3.693 1.00 . A A . 68 LYS O 1 1 11 13217 1 1 68 LYS OXT O 4.179 -16.582 2.045 1.00 . A A . 68 LYS OXT 1 1 11 13218 2 2 1 HEC C1A C 7.766 7.633 -3.752 1.00 . B A . 69 HEC C1A 1 1 11 13219 2 2 1 HEC C1B C 4.975 8.969 -6.674 1.00 . B A . 69 HEC C1B 1 1 11 13220 2 2 1 HEC C1C C 2.068 6.245 -5.132 1.00 . B A . 69 HEC C1C 1 1 11 13221 2 2 1 HEC C1D C 4.687 5.391 -1.878 1.00 . B A . 69 HEC C1D 1 1 11 13222 2 2 1 HEC C2A C 8.846 8.506 -4.152 1.00 . B A . 69 HEC C2A 1 1 11 13223 2 2 1 HEC C2B C 4.184 9.454 -7.781 1.00 . B A . 69 HEC C2B 1 1 11 13224 2 2 1 HEC C2C C 0.910 5.554 -4.619 1.00 . B A . 69 HEC C2C 1 1 11 13225 2 2 1 HEC C2D C 5.504 4.919 -0.785 1.00 . B A . 69 HEC C2D 1 1 11 13226 2 2 1 HEC C3A C 8.359 9.313 -5.147 1.00 . B A . 69 HEC C3A 1 1 11 13227 2 2 1 HEC C3B C 2.979 8.794 -7.736 1.00 . B A . 69 HEC C3B 1 1 11 13228 2 2 1 HEC C3C C 1.248 5.062 -3.377 1.00 . B A . 69 HEC C3C 1 1 11 13229 2 2 1 HEC C3D C 6.794 5.319 -1.025 1.00 . B A . 69 HEC C3D 1 1 11 13230 2 2 1 HEC C4A C 6.991 8.918 -5.378 1.00 . B A . 69 HEC C4A 1 1 11 13231 2 2 1 HEC C4B C 3.088 7.792 -6.692 1.00 . B A . 69 HEC C4B 1 1 11 13232 2 2 1 HEC C4C C 2.628 5.440 -3.133 1.00 . B A . 69 HEC C4C 1 1 11 13233 2 2 1 HEC C4D C 6.767 6.068 -2.256 1.00 . B A . 69 HEC C4D 1 1 11 13234 2 2 1 HEC CAA C 10.217 8.601 -3.525 1.00 . B A . 69 HEC CAA 1 1 11 13235 2 2 1 HEC CAB C 1.680 9.298 -8.341 1.00 . B A . 69 HEC CAB 1 1 11 13236 2 2 1 HEC CAC C 0.317 4.366 -2.397 1.00 . B A . 69 HEC CAC 1 1 11 13237 2 2 1 HEC CAD C 7.982 5.131 -0.102 1.00 . B A . 69 HEC CAD 1 1 11 13238 2 2 1 HEC CBA C 11.270 7.685 -4.155 1.00 . B A . 69 HEC CBA 1 1 11 13239 2 2 1 HEC CBB C 1.743 9.766 -9.803 1.00 . B A . 69 HEC CBB 1 1 11 13240 2 2 1 HEC CBC C -0.299 3.062 -2.912 1.00 . B A . 69 HEC CBC 1 1 11 13241 2 2 1 HEC CBD C 8.621 3.746 -0.183 1.00 . B A . 69 HEC CBD 1 1 11 13242 2 2 1 HEC CGA C 12.645 7.890 -3.503 1.00 . B A . 69 HEC CGA 1 1 11 13243 2 2 1 HEC CGD C 9.256 3.483 -1.549 1.00 . B A . 69 HEC CGD 1 1 11 13244 2 2 1 HEC CHA C 7.865 6.712 -2.749 1.00 . B A . 69 HEC CHA 1 1 11 13245 2 2 1 HEC CHB C 6.223 9.461 -6.365 1.00 . B A . 69 HEC CHB 1 1 11 13246 2 2 1 HEC CHC C 2.049 6.961 -6.309 1.00 . B A . 69 HEC CHC 1 1 11 13247 2 2 1 HEC CHD C 3.341 5.110 -1.987 1.00 . B A . 69 HEC CHD 1 1 11 13248 2 2 1 HEC CMA C 9.134 10.350 -5.928 1.00 . B A . 69 HEC CMA 1 1 11 13249 2 2 1 HEC CMB C 4.579 10.514 -8.788 1.00 . B A . 69 HEC CMB 1 1 11 13250 2 2 1 HEC CMC C -0.459 5.575 -5.269 1.00 . B A . 69 HEC CMC 1 1 11 13251 2 2 1 HEC CMD C 5.012 4.145 0.407 1.00 . B A . 69 HEC CMD 1 1 11 13252 2 2 1 HEC FE FE 4.873 7.021 -4.407 1.00 . B A . 69 HEC FE 1 1 11 13253 2 2 1 HEC HAA1 H 10.588 9.624 -3.569 1.00 . B A . 69 HEC HAA1 1 1 11 13254 2 2 1 HEC HAA2 H 10.157 8.330 -2.479 1.00 . B A . 69 HEC HAA2 1 1 11 13255 2 2 1 HEC HAB H 0.943 8.504 -8.314 1.00 . B A . 69 HEC HAB 1 1 11 13256 2 2 1 HEC HAC H 0.856 4.114 -1.488 1.00 . B A . 69 HEC HAC 1 1 11 13257 2 2 1 HEC HAD1 H 8.772 5.846 -0.303 1.00 . B A . 69 HEC HAD1 1 1 11 13258 2 2 1 HEC HAD2 H 7.658 5.292 0.913 1.00 . B A . 69 HEC HAD2 1 1 11 13259 2 2 1 HEC HBA1 H 10.957 6.647 -4.028 1.00 . B A . 69 HEC HBA1 1 1 11 13260 2 2 1 HEC HBA2 H 11.331 7.903 -5.223 1.00 . B A . 69 HEC HBA2 1 1 11 13261 2 2 1 HEC HBB1 H 2.141 10.776 -9.874 1.00 . B A . 69 HEC HBB1 1 1 11 13262 2 2 1 HEC HBB2 H 2.357 9.085 -10.392 1.00 . B A . 69 HEC HBB2 1 1 11 13263 2 2 1 HEC HBB3 H 0.739 9.771 -10.229 1.00 . B A . 69 HEC HBB3 1 1 11 13264 2 2 1 HEC HBC1 H -1.184 3.261 -3.518 1.00 . B A . 69 HEC HBC1 1 1 11 13265 2 2 1 HEC HBC2 H 0.430 2.497 -3.494 1.00 . B A . 69 HEC HBC2 1 1 11 13266 2 2 1 HEC HBC3 H -0.610 2.456 -2.064 1.00 . B A . 69 HEC HBC3 1 1 11 13267 2 2 1 HEC HBD1 H 9.378 3.665 0.601 1.00 . B A . 69 HEC HBD1 1 1 11 13268 2 2 1 HEC HBD2 H 7.853 3.007 0.011 1.00 . B A . 69 HEC HBD2 1 1 11 13269 2 2 1 HEC HHA H 8.812 6.524 -2.274 1.00 . B A . 69 HEC HHA 1 1 11 13270 2 2 1 HEC HHB H 6.638 10.274 -6.923 1.00 . B A . 69 HEC HHB 1 1 11 13271 2 2 1 HEC HHC H 1.143 6.953 -6.881 1.00 . B A . 69 HEC HHC 1 1 11 13272 2 2 1 HEC HHD H 2.871 4.553 -1.187 1.00 . B A . 69 HEC HHD 1 1 11 13273 2 2 1 HEC HMA1 H 8.759 11.344 -5.685 1.00 . B A . 69 HEC HMA1 1 1 11 13274 2 2 1 HEC HMA2 H 10.195 10.299 -5.686 1.00 . B A . 69 HEC HMA2 1 1 11 13275 2 2 1 HEC HMA3 H 9.022 10.161 -6.994 1.00 . B A . 69 HEC HMA3 1 1 11 13276 2 2 1 HEC HMB1 H 4.410 10.132 -9.793 1.00 . B A . 69 HEC HMB1 1 1 11 13277 2 2 1 HEC HMB2 H 3.972 11.403 -8.620 1.00 . B A . 69 HEC HMB2 1 1 11 13278 2 2 1 HEC HMB3 H 5.628 10.786 -8.721 1.00 . B A . 69 HEC HMB3 1 1 11 13279 2 2 1 HEC HMC1 H -0.775 6.611 -5.386 1.00 . B A . 69 HEC HMC1 1 1 11 13280 2 2 1 HEC HMC2 H -0.408 5.104 -6.246 1.00 . B A . 69 HEC HMC2 1 1 11 13281 2 2 1 HEC HMC3 H -1.209 5.062 -4.676 1.00 . B A . 69 HEC HMC3 1 1 11 13282 2 2 1 HEC HMD1 H 4.463 3.274 0.057 1.00 . B A . 69 HEC HMD1 1 1 11 13283 2 2 1 HEC HMD2 H 5.837 3.816 1.037 1.00 . B A . 69 HEC HMD2 1 1 11 13284 2 2 1 HEC HMD3 H 4.351 4.796 0.972 1.00 . B A . 69 HEC HMD3 1 1 11 13285 2 2 1 HEC NA N 6.669 7.945 -4.499 1.00 . B A . 69 HEC NA 1 1 11 13286 2 2 1 HEC NB N 4.285 7.970 -6.062 1.00 . B A . 69 HEC NB 1 1 11 13287 2 2 1 HEC NC N 3.066 6.149 -4.221 1.00 . B A . 69 HEC NC 1 1 11 13288 2 2 1 HEC ND N 5.483 6.112 -2.710 1.00 . B A . 69 HEC ND 1 1 11 13289 2 2 1 HEC O1A O 12.661 8.260 -2.305 1.00 . B A . 69 HEC O1A 1 1 11 13290 2 2 1 HEC O1D O 10.488 3.661 -1.646 1.00 . B A . 69 HEC O1D 1 1 11 13291 2 2 1 HEC O2A O 13.654 7.715 -4.220 1.00 . B A . 69 HEC O2A 1 1 11 13292 2 2 1 HEC O2D O 8.488 3.134 -2.471 1.00 . B A . 69 HEC O2D 1 1 11 13293 3 2 1 HEC C1A C -3.063 -4.432 -4.688 1.00 . C A . 70 HEC C1A 1 1 11 13294 3 2 1 HEC C1B C -1.031 -2.460 -1.495 1.00 . C A . 70 HEC C1B 1 1 11 13295 3 2 1 HEC C1C C -3.572 0.960 -1.980 1.00 . C A . 70 HEC C1C 1 1 11 13296 3 2 1 HEC C1D C -5.694 -1.038 -5.070 1.00 . C A . 70 HEC C1D 1 1 11 13297 3 2 1 HEC C2A C -2.390 -5.710 -4.561 1.00 . C A . 70 HEC C2A 1 1 11 13298 3 2 1 HEC C2B C -0.293 -1.933 -0.371 1.00 . C A . 70 HEC C2B 1 1 11 13299 3 2 1 HEC C2C C -4.318 2.191 -2.020 1.00 . C A . 70 HEC C2C 1 1 11 13300 3 2 1 HEC C2D C -6.462 -1.577 -6.171 1.00 . C A . 70 HEC C2D 1 1 11 13301 3 2 1 HEC C3A C -1.420 -5.553 -3.601 1.00 . C A . 70 HEC C3A 1 1 11 13302 3 2 1 HEC C3B C -0.756 -0.657 -0.143 1.00 . C A . 70 HEC C3B 1 1 11 13303 3 2 1 HEC C3C C -5.412 1.968 -2.826 1.00 . C A . 70 HEC C3C 1 1 11 13304 3 2 1 HEC C3D C -5.862 -2.752 -6.545 1.00 . C A . 70 HEC C3D 1 1 11 13305 3 2 1 HEC C4A C -1.571 -4.224 -3.048 1.00 . C A . 70 HEC C4A 1 1 11 13306 3 2 1 HEC C4B C -1.789 -0.407 -1.121 1.00 . C A . 70 HEC C4B 1 1 11 13307 3 2 1 HEC C4C C -5.153 0.708 -3.499 1.00 . C A . 70 HEC C4C 1 1 11 13308 3 2 1 HEC C4D C -4.809 -3.018 -5.594 1.00 . C A . 70 HEC C4D 1 1 11 13309 3 2 1 HEC CAA C -2.809 -7.039 -5.180 1.00 . C A . 70 HEC CAA 1 1 11 13310 3 2 1 HEC CAB C -0.371 0.265 1.002 1.00 . C A . 70 HEC CAB 1 1 11 13311 3 2 1 HEC CAC C -6.700 2.787 -2.897 1.00 . C A . 70 HEC CAC 1 1 11 13312 3 2 1 HEC CAD C -6.146 -3.512 -7.824 1.00 . C A . 70 HEC CAD 1 1 11 13313 3 2 1 HEC CBA C -4.299 -7.368 -4.958 1.00 . C A . 70 HEC CBA 1 1 11 13314 3 2 1 HEC CBB C 1.027 0.872 0.845 1.00 . C A . 70 HEC CBB 1 1 11 13315 3 2 1 HEC CBC C -6.728 3.800 -4.042 1.00 . C A . 70 HEC CBC 1 1 11 13316 3 2 1 HEC CBD C -5.185 -3.101 -8.952 1.00 . C A . 70 HEC CBD 1 1 11 13317 3 2 1 HEC CGA C -4.717 -8.848 -4.950 1.00 . C A . 70 HEC CGA 1 1 11 13318 3 2 1 HEC CGD C -5.586 -3.633 -10.333 1.00 . C A . 70 HEC CGD 1 1 11 13319 3 2 1 HEC CHA C -4.056 -4.173 -5.607 1.00 . C A . 70 HEC CHA 1 1 11 13320 3 2 1 HEC CHB C -0.848 -3.738 -1.976 1.00 . C A . 70 HEC CHB 1 1 11 13321 3 2 1 HEC CHC C -2.504 0.766 -1.150 1.00 . C A . 70 HEC CHC 1 1 11 13322 3 2 1 HEC CHD C -5.962 0.180 -4.477 1.00 . C A . 70 HEC CHD 1 1 11 13323 3 2 1 HEC CMA C -0.405 -6.602 -3.206 1.00 . C A . 70 HEC CMA 1 1 11 13324 3 2 1 HEC CMB C 0.687 -2.704 0.486 1.00 . C A . 70 HEC CMB 1 1 11 13325 3 2 1 HEC CMC C -3.936 3.466 -1.304 1.00 . C A . 70 HEC CMC 1 1 11 13326 3 2 1 HEC CMD C -7.655 -0.955 -6.866 1.00 . C A . 70 HEC CMD 1 1 11 13327 3 2 1 HEC FE FE -3.269 -1.729 -3.326 1.00 . C A . 70 HEC FE 1 1 11 13328 3 2 1 HEC HAA1 H -2.592 -7.038 -6.248 1.00 . C A . 70 HEC HAA1 1 1 11 13329 3 2 1 HEC HAA2 H -2.225 -7.839 -4.723 1.00 . C A . 70 HEC HAA2 1 1 11 13330 3 2 1 HEC HAB H -1.031 1.120 1.065 1.00 . C A . 70 HEC HAB 1 1 11 13331 3 2 1 HEC HAC H -7.540 2.100 -3.013 1.00 . C A . 70 HEC HAC 1 1 11 13332 3 2 1 HEC HAD1 H -6.074 -4.588 -7.675 1.00 . C A . 70 HEC HAD1 1 1 11 13333 3 2 1 HEC HAD2 H -7.159 -3.302 -8.161 1.00 . C A . 70 HEC HAD2 1 1 11 13334 3 2 1 HEC HBA1 H -4.591 -6.944 -3.996 1.00 . C A . 70 HEC HBA1 1 1 11 13335 3 2 1 HEC HBA2 H -4.858 -6.891 -5.760 1.00 . C A . 70 HEC HBA2 1 1 11 13336 3 2 1 HEC HBB1 H 1.809 0.139 1.033 1.00 . C A . 70 HEC HBB1 1 1 11 13337 3 2 1 HEC HBB2 H 1.150 1.256 -0.169 1.00 . C A . 70 HEC HBB2 1 1 11 13338 3 2 1 HEC HBB3 H 1.138 1.706 1.534 1.00 . C A . 70 HEC HBB3 1 1 11 13339 3 2 1 HEC HBC1 H -5.813 4.394 -4.018 1.00 . C A . 70 HEC HBC1 1 1 11 13340 3 2 1 HEC HBC2 H -6.811 3.289 -4.992 1.00 . C A . 70 HEC HBC2 1 1 11 13341 3 2 1 HEC HBC3 H -7.586 4.465 -3.941 1.00 . C A . 70 HEC HBC3 1 1 11 13342 3 2 1 HEC HBD1 H -5.163 -2.010 -9.002 1.00 . C A . 70 HEC HBD1 1 1 11 13343 3 2 1 HEC HBD2 H -4.182 -3.453 -8.704 1.00 . C A . 70 HEC HBD2 1 1 11 13344 3 2 1 HEC HHA H -4.251 -4.915 -6.356 1.00 . C A . 70 HEC HHA 1 1 11 13345 3 2 1 HEC HHB H -0.131 -4.371 -1.484 1.00 . C A . 70 HEC HHB 1 1 11 13346 3 2 1 HEC HHC H -2.259 1.537 -0.449 1.00 . C A . 70 HEC HHC 1 1 11 13347 3 2 1 HEC HHD H -6.797 0.764 -4.807 1.00 . C A . 70 HEC HHD 1 1 11 13348 3 2 1 HEC HMA1 H 0.400 -6.183 -2.609 1.00 . C A . 70 HEC HMA1 1 1 11 13349 3 2 1 HEC HMA2 H -0.896 -7.401 -2.647 1.00 . C A . 70 HEC HMA2 1 1 11 13350 3 2 1 HEC HMA3 H 0.036 -7.015 -4.113 1.00 . C A . 70 HEC HMA3 1 1 11 13351 3 2 1 HEC HMB1 H 0.123 -3.271 1.223 1.00 . C A . 70 HEC HMB1 1 1 11 13352 3 2 1 HEC HMB2 H 1.276 -3.392 -0.114 1.00 . C A . 70 HEC HMB2 1 1 11 13353 3 2 1 HEC HMB3 H 1.360 -2.021 0.995 1.00 . C A . 70 HEC HMB3 1 1 11 13354 3 2 1 HEC HMC1 H -2.859 3.592 -1.358 1.00 . C A . 70 HEC HMC1 1 1 11 13355 3 2 1 HEC HMC2 H -4.398 4.330 -1.779 1.00 . C A . 70 HEC HMC2 1 1 11 13356 3 2 1 HEC HMC3 H -4.230 3.423 -0.258 1.00 . C A . 70 HEC HMC3 1 1 11 13357 3 2 1 HEC HMD1 H -7.332 -0.561 -7.829 1.00 . C A . 70 HEC HMD1 1 1 11 13358 3 2 1 HEC HMD2 H -8.415 -1.715 -7.040 1.00 . C A . 70 HEC HMD2 1 1 11 13359 3 2 1 HEC HMD3 H -8.101 -0.154 -6.282 1.00 . C A . 70 HEC HMD3 1 1 11 13360 3 2 1 HEC NA N -2.577 -3.596 -3.717 1.00 . C A . 70 HEC NA 1 1 11 13361 3 2 1 HEC NB N -1.923 -1.512 -1.898 1.00 . C A . 70 HEC NB 1 1 11 13362 3 2 1 HEC NC N -4.068 0.125 -2.913 1.00 . C A . 70 HEC NC 1 1 11 13363 3 2 1 HEC ND N -4.723 -1.947 -4.753 1.00 . C A . 70 HEC ND 1 1 11 13364 3 2 1 HEC O1A O -5.951 -9.083 -4.879 1.00 . C A . 70 HEC O1A 1 1 11 13365 3 2 1 HEC O1D O -6.573 -4.398 -10.400 1.00 . C A . 70 HEC O1D 1 1 11 13366 3 2 1 HEC O2A O -3.823 -9.719 -4.981 1.00 . C A . 70 HEC O2A 1 1 11 13367 3 2 1 HEC O2D O -4.912 -3.241 -11.315 1.00 . C A . 70 HEC O2D 1 1 11 13368 4 2 1 HEC C1A C 2.744 -5.262 9.508 1.00 . D A . 71 HEC C1A 1 1 11 13369 4 2 1 HEC C1B C 0.147 -8.672 9.555 1.00 . D A . 71 HEC C1B 1 1 11 13370 4 2 1 HEC C1C C -1.641 -7.320 5.931 1.00 . D A . 71 HEC C1C 1 1 11 13371 4 2 1 HEC C1D C 1.146 -4.138 5.697 1.00 . D A . 71 HEC C1D 1 1 11 13372 4 2 1 HEC C2A C 3.499 -5.622 10.688 1.00 . D A . 71 HEC C2A 1 1 11 13373 4 2 1 HEC C2B C -0.676 -9.858 9.690 1.00 . D A . 71 HEC C2B 1 1 11 13374 4 2 1 HEC C2C C -2.306 -7.092 4.677 1.00 . D A . 71 HEC C2C 1 1 11 13375 4 2 1 HEC C2D C 2.053 -3.038 5.465 1.00 . D A . 71 HEC C2D 1 1 11 13376 4 2 1 HEC C3A C 2.875 -6.715 11.237 1.00 . D A . 71 HEC C3A 1 1 11 13377 4 2 1 HEC C3B C -1.601 -9.820 8.672 1.00 . D A . 71 HEC C3B 1 1 11 13378 4 2 1 HEC C3C C -1.732 -5.968 4.124 1.00 . D A . 71 HEC C3C 1 1 11 13379 4 2 1 HEC C3D C 2.841 -2.914 6.580 1.00 . D A . 71 HEC C3D 1 1 11 13380 4 2 1 HEC C4A C 1.862 -7.146 10.301 1.00 . D A . 71 HEC C4A 1 1 11 13381 4 2 1 HEC C4B C -1.263 -8.684 7.854 1.00 . D A . 71 HEC C4B 1 1 11 13382 4 2 1 HEC C4C C -0.670 -5.566 5.033 1.00 . D A . 71 HEC C4C 1 1 11 13383 4 2 1 HEC C4D C 2.435 -3.953 7.499 1.00 . D A . 71 HEC C4D 1 1 11 13384 4 2 1 HEC CAA C 4.861 -5.090 11.105 1.00 . D A . 71 HEC CAA 1 1 11 13385 4 2 1 HEC CAB C -2.826 -10.695 8.447 1.00 . D A . 71 HEC CAB 1 1 11 13386 4 2 1 HEC CAC C -2.101 -5.290 2.808 1.00 . D A . 71 HEC CAC 1 1 11 13387 4 2 1 HEC CAD C 3.935 -1.883 6.769 1.00 . D A . 71 HEC CAD 1 1 11 13388 4 2 1 HEC CBA C 5.965 -6.127 10.963 1.00 . D A . 71 HEC CBA 1 1 11 13389 4 2 1 HEC CBB C -3.478 -11.287 9.700 1.00 . D A . 71 HEC CBB 1 1 11 13390 4 2 1 HEC CBC C -3.567 -4.852 2.698 1.00 . D A . 71 HEC CBC 1 1 11 13391 4 2 1 HEC CBD C 5.345 -2.424 7.067 1.00 . D A . 71 HEC CBD 1 1 11 13392 4 2 1 HEC CGA C 7.394 -5.612 11.119 1.00 . D A . 71 HEC CGA 1 1 11 13393 4 2 1 HEC CGD C 5.836 -2.178 8.504 1.00 . D A . 71 HEC CGD 1 1 11 13394 4 2 1 HEC CHA C 3.037 -4.185 8.708 1.00 . D A . 71 HEC CHA 1 1 11 13395 4 2 1 HEC CHB C 1.112 -8.295 10.467 1.00 . D A . 71 HEC CHB 1 1 11 13396 4 2 1 HEC CHC C -1.944 -8.391 6.706 1.00 . D A . 71 HEC CHC 1 1 11 13397 4 2 1 HEC CHD C 0.185 -4.520 4.793 1.00 . D A . 71 HEC CHD 1 1 11 13398 4 2 1 HEC CMA C 3.220 -7.356 12.561 1.00 . D A . 71 HEC CMA 1 1 11 13399 4 2 1 HEC CMB C -0.532 -10.940 10.737 1.00 . D A . 71 HEC CMB 1 1 11 13400 4 2 1 HEC CMC C -3.327 -8.049 4.089 1.00 . D A . 71 HEC CMC 1 1 11 13401 4 2 1 HEC CMD C 2.147 -2.182 4.225 1.00 . D A . 71 HEC CMD 1 1 11 13402 4 2 1 HEC FE FE 0.582 -6.297 7.742 1.00 . D A . 71 HEC FE 1 1 11 13403 4 2 1 HEC HAA1 H 5.186 -4.293 10.444 1.00 . D A . 71 HEC HAA1 1 1 11 13404 4 2 1 HEC HAA2 H 4.847 -4.762 12.139 1.00 . D A . 71 HEC HAA2 1 1 11 13405 4 2 1 HEC HAB H -3.600 -10.054 8.014 1.00 . D A . 71 HEC HAB 1 1 11 13406 4 2 1 HEC HAC H -1.545 -4.365 2.697 1.00 . D A . 71 HEC HAC 1 1 11 13407 4 2 1 HEC HAD1 H 4.031 -1.279 5.871 1.00 . D A . 71 HEC HAD1 1 1 11 13408 4 2 1 HEC HAD2 H 3.620 -1.202 7.542 1.00 . D A . 71 HEC HAD2 1 1 11 13409 4 2 1 HEC HBA1 H 5.805 -6.914 11.697 1.00 . D A . 71 HEC HBA1 1 1 11 13410 4 2 1 HEC HBA2 H 5.870 -6.487 9.946 1.00 . D A . 71 HEC HBA2 1 1 11 13411 4 2 1 HEC HBB1 H -2.903 -12.124 10.089 1.00 . D A . 71 HEC HBB1 1 1 11 13412 4 2 1 HEC HBB2 H -3.578 -10.513 10.461 1.00 . D A . 71 HEC HBB2 1 1 11 13413 4 2 1 HEC HBB3 H -4.475 -11.651 9.452 1.00 . D A . 71 HEC HBB3 1 1 11 13414 4 2 1 HEC HBC1 H -3.838 -4.257 3.569 1.00 . D A . 71 HEC HBC1 1 1 11 13415 4 2 1 HEC HBC2 H -3.690 -4.237 1.806 1.00 . D A . 71 HEC HBC2 1 1 11 13416 4 2 1 HEC HBC3 H -4.241 -5.703 2.625 1.00 . D A . 71 HEC HBC3 1 1 11 13417 4 2 1 HEC HBD1 H 5.353 -3.495 6.859 1.00 . D A . 71 HEC HBD1 1 1 11 13418 4 2 1 HEC HBD2 H 6.041 -1.933 6.387 1.00 . D A . 71 HEC HBD2 1 1 11 13419 4 2 1 HEC HHA H 3.794 -3.500 9.020 1.00 . D A . 71 HEC HHA 1 1 11 13420 4 2 1 HEC HHB H 1.267 -8.884 11.347 1.00 . D A . 71 HEC HHB 1 1 11 13421 4 2 1 HEC HHC H -2.708 -9.062 6.366 1.00 . D A . 71 HEC HHC 1 1 11 13422 4 2 1 HEC HHD H 0.105 -3.990 3.864 1.00 . D A . 71 HEC HHD 1 1 11 13423 4 2 1 HEC HMA1 H 2.314 -7.684 13.070 1.00 . D A . 71 HEC HMA1 1 1 11 13424 4 2 1 HEC HMA2 H 3.889 -8.196 12.397 1.00 . D A . 71 HEC HMA2 1 1 11 13425 4 2 1 HEC HMA3 H 3.723 -6.627 13.196 1.00 . D A . 71 HEC HMA3 1 1 11 13426 4 2 1 HEC HMB1 H 0.471 -10.948 11.153 1.00 . D A . 71 HEC HMB1 1 1 11 13427 4 2 1 HEC HMB2 H -1.254 -10.775 11.536 1.00 . D A . 71 HEC HMB2 1 1 11 13428 4 2 1 HEC HMB3 H -0.705 -11.907 10.269 1.00 . D A . 71 HEC HMB3 1 1 11 13429 4 2 1 HEC HMC1 H -2.862 -9.026 3.976 1.00 . D A . 71 HEC HMC1 1 1 11 13430 4 2 1 HEC HMC2 H -4.174 -8.165 4.774 1.00 . D A . 71 HEC HMC2 1 1 11 13431 4 2 1 HEC HMC3 H -3.678 -7.728 3.113 1.00 . D A . 71 HEC HMC3 1 1 11 13432 4 2 1 HEC HMD1 H 1.669 -2.642 3.367 1.00 . D A . 71 HEC HMD1 1 1 11 13433 4 2 1 HEC HMD2 H 1.700 -1.206 4.379 1.00 . D A . 71 HEC HMD2 1 1 11 13434 4 2 1 HEC HMD3 H 3.198 -2.045 4.007 1.00 . D A . 71 HEC HMD3 1 1 11 13435 4 2 1 HEC NA N 1.809 -6.236 9.297 1.00 . D A . 71 HEC NA 1 1 11 13436 4 2 1 HEC NB N -0.230 -8.019 8.425 1.00 . D A . 71 HEC NB 1 1 11 13437 4 2 1 HEC NC N -0.680 -6.400 6.113 1.00 . D A . 71 HEC NC 1 1 11 13438 4 2 1 HEC ND N 1.431 -4.663 6.924 1.00 . D A . 71 HEC ND 1 1 11 13439 4 2 1 HEC O1A O 7.553 -4.551 11.773 1.00 . D A . 71 HEC O1A 1 1 11 13440 4 2 1 HEC O1D O 5.178 -1.459 9.289 1.00 . D A . 71 HEC O1D 1 1 11 13441 4 2 1 HEC O2A O 8.290 -6.325 10.598 1.00 . D A . 71 HEC O2A 1 1 11 13442 4 2 1 HEC O2D O 6.814 -2.810 8.948 1.00 . D A . 71 HEC O2D 1 1 12 13443 1 1 1 ALA C C 9.582 2.848 -7.170 1.00 . A A . 1 ALA C 1 1 12 13444 1 1 1 ALA CA C 9.735 4.035 -6.210 1.00 . A A . 1 ALA CA 1 1 12 13445 1 1 1 ALA CB C 11.199 4.187 -5.780 1.00 . A A . 1 ALA CB 1 1 12 13446 1 1 1 ALA H1 H 8.995 2.917 -4.667 1.00 . A A . 1 ALA H1 1 1 12 13447 1 1 1 ALA H2 H 9.148 4.475 -4.264 1.00 . A A . 1 ALA H2 1 1 12 13448 1 1 1 ALA H3 H 7.900 4.007 -5.244 1.00 . A A . 1 ALA H3 1 1 12 13449 1 1 1 ALA HA H 9.440 4.958 -6.711 1.00 . A A . 1 ALA HA 1 1 12 13450 1 1 1 ALA HB1 H 11.541 3.292 -5.260 1.00 . A A . 1 ALA HB1 1 1 12 13451 1 1 1 ALA HB2 H 11.824 4.346 -6.660 1.00 . A A . 1 ALA HB2 1 1 12 13452 1 1 1 ALA HB3 H 11.306 5.042 -5.112 1.00 . A A . 1 ALA HB3 1 1 12 13453 1 1 1 ALA N N 8.872 3.849 -5.028 1.00 . A A . 1 ALA N 1 1 12 13454 1 1 1 ALA O O 10.181 1.808 -6.928 1.00 . A A . 1 ALA O 1 1 12 13455 1 1 2 ASP C C 7.984 0.626 -8.696 1.00 . A A . 2 ASP C 1 1 12 13456 1 1 2 ASP CA C 8.489 1.974 -9.241 1.00 . A A . 2 ASP CA 1 1 12 13457 1 1 2 ASP CB C 9.648 1.865 -10.235 1.00 . A A . 2 ASP CB 1 1 12 13458 1 1 2 ASP CG C 9.210 1.168 -11.512 1.00 . A A . 2 ASP CG 1 1 12 13459 1 1 2 ASP H H 8.394 3.895 -8.440 1.00 . A A . 2 ASP H 1 1 12 13460 1 1 2 ASP HA H 7.644 2.396 -9.774 1.00 . A A . 2 ASP HA 1 1 12 13461 1 1 2 ASP HB2 H 9.973 2.867 -10.509 1.00 . A A . 2 ASP HB2 1 1 12 13462 1 1 2 ASP HB3 H 10.485 1.322 -9.799 1.00 . A A . 2 ASP HB3 1 1 12 13463 1 1 2 ASP N N 8.779 2.989 -8.230 1.00 . A A . 2 ASP N 1 1 12 13464 1 1 2 ASP O O 6.781 0.379 -8.733 1.00 . A A . 2 ASP O 1 1 12 13465 1 1 2 ASP OD1 O 8.983 -0.056 -11.445 1.00 . A A . 2 ASP OD1 1 1 12 13466 1 1 2 ASP OD2 O 9.093 1.884 -12.530 1.00 . A A . 2 ASP OD2 1 1 12 13467 1 1 3 VAL C C 9.355 -1.269 -6.022 1.00 . A A . 3 VAL C 1 1 12 13468 1 1 3 VAL CA C 8.479 -1.327 -7.275 1.00 . A A . 3 VAL CA 1 1 12 13469 1 1 3 VAL CB C 8.607 -2.673 -8.021 1.00 . A A . 3 VAL CB 1 1 12 13470 1 1 3 VAL CG1 C 7.604 -2.785 -9.174 1.00 . A A . 3 VAL CG1 1 1 12 13471 1 1 3 VAL CG2 C 10.011 -2.953 -8.574 1.00 . A A . 3 VAL CG2 1 1 12 13472 1 1 3 VAL H H 9.805 0.151 -7.998 1.00 . A A . 3 VAL H 1 1 12 13473 1 1 3 VAL HA H 7.442 -1.220 -6.960 1.00 . A A . 3 VAL HA 1 1 12 13474 1 1 3 VAL HB H 8.366 -3.466 -7.310 1.00 . A A . 3 VAL HB 1 1 12 13475 1 1 3 VAL HG11 H 6.593 -2.641 -8.801 1.00 . A A . 3 VAL HG11 1 1 12 13476 1 1 3 VAL HG12 H 7.813 -2.041 -9.943 1.00 . A A . 3 VAL HG12 1 1 12 13477 1 1 3 VAL HG13 H 7.657 -3.781 -9.615 1.00 . A A . 3 VAL HG13 1 1 12 13478 1 1 3 VAL HG21 H 10.001 -3.898 -9.116 1.00 . A A . 3 VAL HG21 1 1 12 13479 1 1 3 VAL HG22 H 10.316 -2.157 -9.255 1.00 . A A . 3 VAL HG22 1 1 12 13480 1 1 3 VAL HG23 H 10.732 -3.038 -7.762 1.00 . A A . 3 VAL HG23 1 1 12 13481 1 1 3 VAL N N 8.856 -0.192 -8.109 1.00 . A A . 3 VAL N 1 1 12 13482 1 1 3 VAL O O 10.573 -1.143 -6.131 1.00 . A A . 3 VAL O 1 1 12 13483 1 1 4 VAL C C 8.832 -2.512 -2.753 1.00 . A A . 4 VAL C 1 1 12 13484 1 1 4 VAL CA C 9.473 -1.405 -3.569 1.00 . A A . 4 VAL CA 1 1 12 13485 1 1 4 VAL CB C 9.474 -0.047 -2.835 1.00 . A A . 4 VAL CB 1 1 12 13486 1 1 4 VAL CG1 C 10.063 -0.090 -1.413 1.00 . A A . 4 VAL CG1 1 1 12 13487 1 1 4 VAL CG2 C 10.321 0.958 -3.610 1.00 . A A . 4 VAL CG2 1 1 12 13488 1 1 4 VAL H H 7.743 -1.481 -4.791 1.00 . A A . 4 VAL H 1 1 12 13489 1 1 4 VAL HA H 10.506 -1.697 -3.720 1.00 . A A . 4 VAL HA 1 1 12 13490 1 1 4 VAL HB H 8.456 0.330 -2.800 1.00 . A A . 4 VAL HB 1 1 12 13491 1 1 4 VAL HG11 H 11.052 -0.552 -1.424 1.00 . A A . 4 VAL HG11 1 1 12 13492 1 1 4 VAL HG12 H 10.153 0.920 -1.015 1.00 . A A . 4 VAL HG12 1 1 12 13493 1 1 4 VAL HG13 H 9.427 -0.647 -0.731 1.00 . A A . 4 VAL HG13 1 1 12 13494 1 1 4 VAL HG21 H 10.308 1.918 -3.095 1.00 . A A . 4 VAL HG21 1 1 12 13495 1 1 4 VAL HG22 H 11.345 0.595 -3.678 1.00 . A A . 4 VAL HG22 1 1 12 13496 1 1 4 VAL HG23 H 9.908 1.077 -4.604 1.00 . A A . 4 VAL HG23 1 1 12 13497 1 1 4 VAL N N 8.748 -1.324 -4.834 1.00 . A A . 4 VAL N 1 1 12 13498 1 1 4 VAL O O 7.732 -2.967 -3.074 1.00 . A A . 4 VAL O 1 1 12 13499 1 1 5 THR C C 9.171 -2.907 0.726 1.00 . A A . 5 THR C 1 1 12 13500 1 1 5 THR CA C 8.880 -3.604 -0.592 1.00 . A A . 5 THR CA 1 1 12 13501 1 1 5 THR CB C 9.293 -5.085 -0.542 1.00 . A A . 5 THR CB 1 1 12 13502 1 1 5 THR CG2 C 10.808 -5.292 -0.666 1.00 . A A . 5 THR CG2 1 1 12 13503 1 1 5 THR H H 10.440 -2.571 -1.504 1.00 . A A . 5 THR H 1 1 12 13504 1 1 5 THR HA H 7.814 -3.455 -0.744 1.00 . A A . 5 THR HA 1 1 12 13505 1 1 5 THR HB H 8.827 -5.608 -1.373 1.00 . A A . 5 THR HB 1 1 12 13506 1 1 5 THR HG1 H 9.425 -5.240 1.364 1.00 . A A . 5 THR HG1 1 1 12 13507 1 1 5 THR HG21 H 11.033 -6.354 -0.563 1.00 . A A . 5 THR HG21 1 1 12 13508 1 1 5 THR HG22 H 11.161 -4.963 -1.643 1.00 . A A . 5 THR HG22 1 1 12 13509 1 1 5 THR HG23 H 11.341 -4.746 0.112 1.00 . A A . 5 THR HG23 1 1 12 13510 1 1 5 THR N N 9.520 -2.935 -1.693 1.00 . A A . 5 THR N 1 1 12 13511 1 1 5 THR O O 10.284 -2.453 0.980 1.00 . A A . 5 THR O 1 1 12 13512 1 1 5 THR OG1 O 8.879 -5.649 0.685 1.00 . A A . 5 THR OG1 1 1 12 13513 1 1 6 TYR C C 8.946 -3.859 3.640 1.00 . A A . 6 TYR C 1 1 12 13514 1 1 6 TYR CA C 8.301 -2.634 2.998 1.00 . A A . 6 TYR CA 1 1 12 13515 1 1 6 TYR CB C 6.934 -2.326 3.609 1.00 . A A . 6 TYR CB 1 1 12 13516 1 1 6 TYR CD1 C 6.585 0.038 2.774 1.00 . A A . 6 TYR CD1 1 1 12 13517 1 1 6 TYR CD2 C 5.047 -1.697 2.063 1.00 . A A . 6 TYR CD2 1 1 12 13518 1 1 6 TYR CE1 C 5.849 0.984 2.041 1.00 . A A . 6 TYR CE1 1 1 12 13519 1 1 6 TYR CE2 C 4.298 -0.755 1.352 1.00 . A A . 6 TYR CE2 1 1 12 13520 1 1 6 TYR CG C 6.140 -1.293 2.843 1.00 . A A . 6 TYR CG 1 1 12 13521 1 1 6 TYR CZ C 4.668 0.596 1.386 1.00 . A A . 6 TYR CZ 1 1 12 13522 1 1 6 TYR H H 7.293 -3.332 1.259 1.00 . A A . 6 TYR H 1 1 12 13523 1 1 6 TYR HA H 8.936 -1.762 3.140 1.00 . A A . 6 TYR HA 1 1 12 13524 1 1 6 TYR HB2 H 6.343 -3.239 3.667 1.00 . A A . 6 TYR HB2 1 1 12 13525 1 1 6 TYR HB3 H 7.093 -1.975 4.626 1.00 . A A . 6 TYR HB3 1 1 12 13526 1 1 6 TYR HD1 H 7.481 0.341 3.296 1.00 . A A . 6 TYR HD1 1 1 12 13527 1 1 6 TYR HD2 H 4.825 -2.740 1.939 1.00 . A A . 6 TYR HD2 1 1 12 13528 1 1 6 TYR HE1 H 6.244 1.977 1.909 1.00 . A A . 6 TYR HE1 1 1 12 13529 1 1 6 TYR HE2 H 3.557 -1.093 0.647 1.00 . A A . 6 TYR HE2 1 1 12 13530 1 1 6 TYR HH H 3.850 1.062 -0.280 1.00 . A A . 6 TYR HH 1 1 12 13531 1 1 6 TYR N N 8.155 -2.906 1.584 1.00 . A A . 6 TYR N 1 1 12 13532 1 1 6 TYR O O 8.245 -4.757 4.110 1.00 . A A . 6 TYR O 1 1 12 13533 1 1 6 TYR OH O 4.026 1.472 0.571 1.00 . A A . 6 TYR OH 1 1 12 13534 1 1 7 GLU C C 10.636 -5.153 5.684 1.00 . A A . 7 GLU C 1 1 12 13535 1 1 7 GLU CA C 10.993 -5.050 4.197 1.00 . A A . 7 GLU CA 1 1 12 13536 1 1 7 GLU CB C 12.500 -4.968 3.925 1.00 . A A . 7 GLU CB 1 1 12 13537 1 1 7 GLU CD C 14.661 -3.705 4.178 1.00 . A A . 7 GLU CD 1 1 12 13538 1 1 7 GLU CG C 13.144 -3.621 4.283 1.00 . A A . 7 GLU CG 1 1 12 13539 1 1 7 GLU H H 10.807 -3.202 3.146 1.00 . A A . 7 GLU H 1 1 12 13540 1 1 7 GLU HA H 10.636 -5.948 3.705 1.00 . A A . 7 GLU HA 1 1 12 13541 1 1 7 GLU HB2 H 12.991 -5.754 4.500 1.00 . A A . 7 GLU HB2 1 1 12 13542 1 1 7 GLU HB3 H 12.684 -5.161 2.867 1.00 . A A . 7 GLU HB3 1 1 12 13543 1 1 7 GLU HG2 H 12.791 -2.835 3.615 1.00 . A A . 7 GLU HG2 1 1 12 13544 1 1 7 GLU HG3 H 12.901 -3.347 5.310 1.00 . A A . 7 GLU HG3 1 1 12 13545 1 1 7 GLU N N 10.278 -3.943 3.586 1.00 . A A . 7 GLU N 1 1 12 13546 1 1 7 GLU O O 10.714 -4.172 6.417 1.00 . A A . 7 GLU O 1 1 12 13547 1 1 7 GLU OE1 O 15.233 -4.518 4.936 1.00 . A A . 7 GLU OE1 1 1 12 13548 1 1 7 GLU OE2 O 15.217 -2.973 3.332 1.00 . A A . 7 GLU OE2 1 1 12 13549 1 1 8 ASN C C 9.593 -8.021 7.772 1.00 . A A . 8 ASN C 1 1 12 13550 1 1 8 ASN CA C 9.596 -6.536 7.431 1.00 . A A . 8 ASN CA 1 1 12 13551 1 1 8 ASN CB C 8.182 -5.951 7.503 1.00 . A A . 8 ASN CB 1 1 12 13552 1 1 8 ASN CG C 7.136 -6.827 6.834 1.00 . A A . 8 ASN CG 1 1 12 13553 1 1 8 ASN H H 10.195 -7.129 5.493 1.00 . A A . 8 ASN H 1 1 12 13554 1 1 8 ASN HA H 10.218 -6.015 8.162 1.00 . A A . 8 ASN HA 1 1 12 13555 1 1 8 ASN HB2 H 7.885 -5.819 8.539 1.00 . A A . 8 ASN HB2 1 1 12 13556 1 1 8 ASN HB3 H 8.180 -4.973 7.028 1.00 . A A . 8 ASN HB3 1 1 12 13557 1 1 8 ASN HD21 H 7.042 -5.541 5.269 1.00 . A A . 8 ASN HD21 1 1 12 13558 1 1 8 ASN HD22 H 5.981 -6.941 5.180 1.00 . A A . 8 ASN HD22 1 1 12 13559 1 1 8 ASN N N 10.176 -6.333 6.112 1.00 . A A . 8 ASN N 1 1 12 13560 1 1 8 ASN ND2 N 6.643 -6.380 5.692 1.00 . A A . 8 ASN ND2 1 1 12 13561 1 1 8 ASN O O 9.750 -8.866 6.883 1.00 . A A . 8 ASN O 1 1 12 13562 1 1 8 ASN OD1 O 6.781 -7.903 7.315 1.00 . A A . 8 ASN OD1 1 1 12 13563 1 1 9 LYS C C 8.573 -10.619 9.343 1.00 . A A . 9 LYS C 1 1 12 13564 1 1 9 LYS CA C 9.638 -9.585 9.705 1.00 . A A . 9 LYS CA 1 1 12 13565 1 1 9 LYS CB C 9.653 -9.351 11.228 1.00 . A A . 9 LYS CB 1 1 12 13566 1 1 9 LYS CD C 11.920 -10.376 11.876 1.00 . A A . 9 LYS CD 1 1 12 13567 1 1 9 LYS CE C 12.527 -9.096 12.479 1.00 . A A . 9 LYS CE 1 1 12 13568 1 1 9 LYS CG C 10.392 -10.429 12.033 1.00 . A A . 9 LYS CG 1 1 12 13569 1 1 9 LYS H H 9.037 -7.569 9.675 1.00 . A A . 9 LYS H 1 1 12 13570 1 1 9 LYS HA H 10.605 -9.948 9.364 1.00 . A A . 9 LYS HA 1 1 12 13571 1 1 9 LYS HB2 H 10.086 -8.377 11.449 1.00 . A A . 9 LYS HB2 1 1 12 13572 1 1 9 LYS HB3 H 8.619 -9.320 11.576 1.00 . A A . 9 LYS HB3 1 1 12 13573 1 1 9 LYS HD2 H 12.322 -11.251 12.391 1.00 . A A . 9 LYS HD2 1 1 12 13574 1 1 9 LYS HD3 H 12.171 -10.456 10.818 1.00 . A A . 9 LYS HD3 1 1 12 13575 1 1 9 LYS HE2 H 12.205 -8.224 11.908 1.00 . A A . 9 LYS HE2 1 1 12 13576 1 1 9 LYS HE3 H 12.180 -8.981 13.509 1.00 . A A . 9 LYS HE3 1 1 12 13577 1 1 9 LYS HG2 H 10.138 -10.302 13.087 1.00 . A A . 9 LYS HG2 1 1 12 13578 1 1 9 LYS HG3 H 10.033 -11.412 11.722 1.00 . A A . 9 LYS HG3 1 1 12 13579 1 1 9 LYS HZ1 H 14.348 -9.897 13.017 1.00 . A A . 9 LYS HZ1 1 1 12 13580 1 1 9 LYS HZ2 H 14.348 -9.195 11.525 1.00 . A A . 9 LYS HZ2 1 1 12 13581 1 1 9 LYS HZ3 H 14.356 -8.260 12.875 1.00 . A A . 9 LYS HZ3 1 1 12 13582 1 1 9 LYS N N 9.399 -8.308 9.060 1.00 . A A . 9 LYS N 1 1 12 13583 1 1 9 LYS NZ N 14.004 -9.118 12.472 1.00 . A A . 9 LYS NZ 1 1 12 13584 1 1 9 LYS O O 8.824 -11.816 9.454 1.00 . A A . 9 LYS O 1 1 12 13585 1 1 10 LYS C C 6.664 -11.859 7.378 1.00 . A A . 10 LYS C 1 1 12 13586 1 1 10 LYS CA C 6.283 -11.084 8.630 1.00 . A A . 10 LYS CA 1 1 12 13587 1 1 10 LYS CB C 4.961 -10.326 8.409 1.00 . A A . 10 LYS CB 1 1 12 13588 1 1 10 LYS CD C 3.799 -10.011 10.690 1.00 . A A . 10 LYS CD 1 1 12 13589 1 1 10 LYS CE C 4.567 -11.134 11.399 1.00 . A A . 10 LYS CE 1 1 12 13590 1 1 10 LYS CG C 4.584 -9.361 9.540 1.00 . A A . 10 LYS CG 1 1 12 13591 1 1 10 LYS H H 7.260 -9.177 8.805 1.00 . A A . 10 LYS H 1 1 12 13592 1 1 10 LYS HA H 6.181 -11.808 9.433 1.00 . A A . 10 LYS HA 1 1 12 13593 1 1 10 LYS HB2 H 5.063 -9.733 7.503 1.00 . A A . 10 LYS HB2 1 1 12 13594 1 1 10 LYS HB3 H 4.148 -11.033 8.245 1.00 . A A . 10 LYS HB3 1 1 12 13595 1 1 10 LYS HD2 H 3.600 -9.218 11.405 1.00 . A A . 10 LYS HD2 1 1 12 13596 1 1 10 LYS HD3 H 2.848 -10.382 10.302 1.00 . A A . 10 LYS HD3 1 1 12 13597 1 1 10 LYS HE2 H 4.513 -12.037 10.791 1.00 . A A . 10 LYS HE2 1 1 12 13598 1 1 10 LYS HE3 H 5.610 -10.833 11.521 1.00 . A A . 10 LYS HE3 1 1 12 13599 1 1 10 LYS HG2 H 5.484 -8.884 9.916 1.00 . A A . 10 LYS HG2 1 1 12 13600 1 1 10 LYS HG3 H 3.969 -8.560 9.117 1.00 . A A . 10 LYS HG3 1 1 12 13601 1 1 10 LYS HZ1 H 4.075 -10.637 13.334 1.00 . A A . 10 LYS HZ1 1 1 12 13602 1 1 10 LYS HZ2 H 3.052 -11.740 12.656 1.00 . A A . 10 LYS HZ2 1 1 12 13603 1 1 10 LYS HZ3 H 4.549 -12.197 13.150 1.00 . A A . 10 LYS HZ3 1 1 12 13604 1 1 10 LYS N N 7.373 -10.173 8.960 1.00 . A A . 10 LYS N 1 1 12 13605 1 1 10 LYS NZ N 4.015 -11.446 12.732 1.00 . A A . 10 LYS NZ 1 1 12 13606 1 1 10 LYS O O 6.566 -13.082 7.339 1.00 . A A . 10 LYS O 1 1 12 13607 1 1 11 GLY C C 7.516 -10.566 4.075 1.00 . A A . 11 GLY C 1 1 12 13608 1 1 11 GLY CA C 7.569 -11.669 5.113 1.00 . A A . 11 GLY CA 1 1 12 13609 1 1 11 GLY H H 7.085 -10.108 6.468 1.00 . A A . 11 GLY H 1 1 12 13610 1 1 11 GLY HA2 H 8.600 -12.006 5.235 1.00 . A A . 11 GLY HA2 1 1 12 13611 1 1 11 GLY HA3 H 6.953 -12.508 4.788 1.00 . A A . 11 GLY HA3 1 1 12 13612 1 1 11 GLY N N 7.087 -11.117 6.359 1.00 . A A . 11 GLY N 1 1 12 13613 1 1 11 GLY O O 6.936 -10.751 3.005 1.00 . A A . 11 GLY O 1 1 12 13614 1 1 12 ASN C C 6.697 -7.803 3.194 1.00 . A A . 12 ASN C 1 1 12 13615 1 1 12 ASN CA C 8.128 -8.248 3.544 1.00 . A A . 12 ASN CA 1 1 12 13616 1 1 12 ASN CB C 9.029 -8.555 2.329 1.00 . A A . 12 ASN CB 1 1 12 13617 1 1 12 ASN CG C 10.507 -8.314 2.631 1.00 . A A . 12 ASN CG 1 1 12 13618 1 1 12 ASN H H 8.532 -9.327 5.339 1.00 . A A . 12 ASN H 1 1 12 13619 1 1 12 ASN HA H 8.574 -7.412 4.083 1.00 . A A . 12 ASN HA 1 1 12 13620 1 1 12 ASN HB2 H 8.914 -9.586 1.995 1.00 . A A . 12 ASN HB2 1 1 12 13621 1 1 12 ASN HB3 H 8.759 -7.930 1.484 1.00 . A A . 12 ASN HB3 1 1 12 13622 1 1 12 ASN HD21 H 10.384 -9.084 4.531 1.00 . A A . 12 ASN HD21 1 1 12 13623 1 1 12 ASN HD22 H 11.951 -8.479 4.023 1.00 . A A . 12 ASN HD22 1 1 12 13624 1 1 12 ASN N N 8.101 -9.411 4.422 1.00 . A A . 12 ASN N 1 1 12 13625 1 1 12 ASN ND2 N 10.972 -8.642 3.838 1.00 . A A . 12 ASN ND2 1 1 12 13626 1 1 12 ASN O O 5.733 -8.269 3.820 1.00 . A A . 12 ASN O 1 1 12 13627 1 1 12 ASN OD1 O 11.236 -7.797 1.792 1.00 . A A . 12 ASN OD1 1 1 12 13628 1 1 13 VAL C C 5.779 -5.735 0.298 1.00 . A A . 13 VAL C 1 1 12 13629 1 1 13 VAL CA C 5.352 -6.488 1.554 1.00 . A A . 13 VAL CA 1 1 12 13630 1 1 13 VAL CB C 4.366 -5.593 2.335 1.00 . A A . 13 VAL CB 1 1 12 13631 1 1 13 VAL CG1 C 3.275 -5.086 1.379 1.00 . A A . 13 VAL CG1 1 1 12 13632 1 1 13 VAL CG2 C 3.678 -6.295 3.499 1.00 . A A . 13 VAL CG2 1 1 12 13633 1 1 13 VAL H H 7.417 -6.367 1.977 1.00 . A A . 13 VAL H 1 1 12 13634 1 1 13 VAL HA H 4.845 -7.410 1.266 1.00 . A A . 13 VAL HA 1 1 12 13635 1 1 13 VAL HB H 4.901 -4.744 2.751 1.00 . A A . 13 VAL HB 1 1 12 13636 1 1 13 VAL HG11 H 3.657 -4.297 0.732 1.00 . A A . 13 VAL HG11 1 1 12 13637 1 1 13 VAL HG12 H 2.931 -5.910 0.754 1.00 . A A . 13 VAL HG12 1 1 12 13638 1 1 13 VAL HG13 H 2.435 -4.672 1.931 1.00 . A A . 13 VAL HG13 1 1 12 13639 1 1 13 VAL HG21 H 2.784 -5.760 3.804 1.00 . A A . 13 VAL HG21 1 1 12 13640 1 1 13 VAL HG22 H 3.398 -7.306 3.220 1.00 . A A . 13 VAL HG22 1 1 12 13641 1 1 13 VAL HG23 H 4.357 -6.289 4.344 1.00 . A A . 13 VAL HG23 1 1 12 13642 1 1 13 VAL N N 6.567 -6.823 2.293 1.00 . A A . 13 VAL N 1 1 12 13643 1 1 13 VAL O O 6.127 -4.557 0.394 1.00 . A A . 13 VAL O 1 1 12 13644 1 1 14 THR C C 4.717 -4.743 -2.403 1.00 . A A . 14 THR C 1 1 12 13645 1 1 14 THR CA C 5.879 -5.708 -2.146 1.00 . A A . 14 THR CA 1 1 12 13646 1 1 14 THR CB C 5.986 -6.769 -3.252 1.00 . A A . 14 THR CB 1 1 12 13647 1 1 14 THR CG2 C 6.553 -6.192 -4.552 1.00 . A A . 14 THR CG2 1 1 12 13648 1 1 14 THR H H 5.445 -7.352 -0.893 1.00 . A A . 14 THR H 1 1 12 13649 1 1 14 THR HA H 6.805 -5.141 -2.117 1.00 . A A . 14 THR HA 1 1 12 13650 1 1 14 THR HB H 4.997 -7.184 -3.454 1.00 . A A . 14 THR HB 1 1 12 13651 1 1 14 THR HG1 H 7.679 -7.467 -2.580 1.00 . A A . 14 THR HG1 1 1 12 13652 1 1 14 THR HG21 H 5.873 -5.447 -4.965 1.00 . A A . 14 THR HG21 1 1 12 13653 1 1 14 THR HG22 H 7.524 -5.730 -4.374 1.00 . A A . 14 THR HG22 1 1 12 13654 1 1 14 THR HG23 H 6.668 -6.995 -5.282 1.00 . A A . 14 THR HG23 1 1 12 13655 1 1 14 THR N N 5.711 -6.378 -0.867 1.00 . A A . 14 THR N 1 1 12 13656 1 1 14 THR O O 3.583 -5.007 -2.003 1.00 . A A . 14 THR O 1 1 12 13657 1 1 14 THR OG1 O 6.817 -7.823 -2.806 1.00 . A A . 14 THR OG1 1 1 12 13658 1 1 15 PHE C C 4.488 -2.214 -4.972 1.00 . A A . 15 PHE C 1 1 12 13659 1 1 15 PHE CA C 3.982 -2.743 -3.635 1.00 . A A . 15 PHE CA 1 1 12 13660 1 1 15 PHE CB C 3.634 -1.610 -2.661 1.00 . A A . 15 PHE CB 1 1 12 13661 1 1 15 PHE CD1 C 5.745 -1.232 -1.336 1.00 . A A . 15 PHE CD1 1 1 12 13662 1 1 15 PHE CD2 C 4.816 0.637 -2.591 1.00 . A A . 15 PHE CD2 1 1 12 13663 1 1 15 PHE CE1 C 6.690 -0.376 -0.759 1.00 . A A . 15 PHE CE1 1 1 12 13664 1 1 15 PHE CE2 C 5.749 1.501 -1.991 1.00 . A A . 15 PHE CE2 1 1 12 13665 1 1 15 PHE CG C 4.785 -0.725 -2.229 1.00 . A A . 15 PHE CG 1 1 12 13666 1 1 15 PHE CZ C 6.666 0.996 -1.053 1.00 . A A . 15 PHE CZ 1 1 12 13667 1 1 15 PHE H H 5.958 -3.412 -3.322 1.00 . A A . 15 PHE H 1 1 12 13668 1 1 15 PHE HA H 3.067 -3.313 -3.812 1.00 . A A . 15 PHE HA 1 1 12 13669 1 1 15 PHE HB2 H 2.858 -0.994 -3.117 1.00 . A A . 15 PHE HB2 1 1 12 13670 1 1 15 PHE HB3 H 3.209 -2.055 -1.764 1.00 . A A . 15 PHE HB3 1 1 12 13671 1 1 15 PHE HD1 H 5.690 -2.255 -0.994 1.00 . A A . 15 PHE HD1 1 1 12 13672 1 1 15 PHE HD2 H 4.098 1.034 -3.293 1.00 . A A . 15 PHE HD2 1 1 12 13673 1 1 15 PHE HE1 H 7.317 -0.737 0.040 1.00 . A A . 15 PHE HE1 1 1 12 13674 1 1 15 PHE HE2 H 5.705 2.563 -2.183 1.00 . A A . 15 PHE HE2 1 1 12 13675 1 1 15 PHE HZ H 7.305 1.653 -0.484 1.00 . A A . 15 PHE HZ 1 1 12 13676 1 1 15 PHE N N 4.992 -3.633 -3.091 1.00 . A A . 15 PHE N 1 1 12 13677 1 1 15 PHE O O 5.599 -1.684 -5.060 1.00 . A A . 15 PHE O 1 1 12 13678 1 1 16 ASP C C 3.527 -0.430 -7.412 1.00 . A A . 16 ASP C 1 1 12 13679 1 1 16 ASP CA C 3.977 -1.887 -7.339 1.00 . A A . 16 ASP CA 1 1 12 13680 1 1 16 ASP CB C 3.362 -2.785 -8.412 1.00 . A A . 16 ASP CB 1 1 12 13681 1 1 16 ASP CG C 3.898 -2.420 -9.791 1.00 . A A . 16 ASP CG 1 1 12 13682 1 1 16 ASP H H 2.787 -2.853 -5.885 1.00 . A A . 16 ASP H 1 1 12 13683 1 1 16 ASP HA H 5.055 -1.923 -7.482 1.00 . A A . 16 ASP HA 1 1 12 13684 1 1 16 ASP HB2 H 3.643 -3.820 -8.213 1.00 . A A . 16 ASP HB2 1 1 12 13685 1 1 16 ASP HB3 H 2.276 -2.712 -8.401 1.00 . A A . 16 ASP HB3 1 1 12 13686 1 1 16 ASP N N 3.673 -2.391 -6.016 1.00 . A A . 16 ASP N 1 1 12 13687 1 1 16 ASP O O 2.364 -0.117 -7.685 1.00 . A A . 16 ASP O 1 1 12 13688 1 1 16 ASP OD1 O 4.174 -1.219 -10.006 1.00 . A A . 16 ASP OD1 1 1 12 13689 1 1 16 ASP OD2 O 4.001 -3.349 -10.618 1.00 . A A . 16 ASP OD2 1 1 12 13690 1 1 17 HIS C C 3.831 2.418 -8.339 1.00 . A A . 17 HIS C 1 1 12 13691 1 1 17 HIS CA C 4.289 1.882 -6.981 1.00 . A A . 17 HIS CA 1 1 12 13692 1 1 17 HIS CB C 5.638 2.464 -6.538 1.00 . A A . 17 HIS CB 1 1 12 13693 1 1 17 HIS CD2 C 5.183 4.684 -5.382 1.00 . A A . 17 HIS CD2 1 1 12 13694 1 1 17 HIS CE1 C 5.886 6.065 -6.935 1.00 . A A . 17 HIS CE1 1 1 12 13695 1 1 17 HIS CG C 5.672 3.953 -6.424 1.00 . A A . 17 HIS CG 1 1 12 13696 1 1 17 HIS H H 5.401 0.085 -6.958 1.00 . A A . 17 HIS H 1 1 12 13697 1 1 17 HIS HA H 3.531 2.111 -6.230 1.00 . A A . 17 HIS HA 1 1 12 13698 1 1 17 HIS HB2 H 5.926 2.028 -5.585 1.00 . A A . 17 HIS HB2 1 1 12 13699 1 1 17 HIS HB3 H 6.403 2.203 -7.256 1.00 . A A . 17 HIS HB3 1 1 12 13700 1 1 17 HIS HD1 H 6.375 4.587 -8.342 1.00 . A A . 17 HIS HD1 1 1 12 13701 1 1 17 HIS HD2 H 4.701 4.297 -4.500 1.00 . A A . 17 HIS HD2 1 1 12 13702 1 1 17 HIS HE1 H 6.054 6.971 -7.493 1.00 . A A . 17 HIS HE1 1 1 12 13703 1 1 17 HIS N N 4.463 0.449 -7.064 1.00 . A A . 17 HIS N 1 1 12 13704 1 1 17 HIS ND1 N 6.097 4.824 -7.400 1.00 . A A . 17 HIS ND1 1 1 12 13705 1 1 17 HIS NE2 N 5.320 6.028 -5.720 1.00 . A A . 17 HIS NE2 1 1 12 13706 1 1 17 HIS O O 2.786 3.057 -8.446 1.00 . A A . 17 HIS O 1 1 12 13707 1 1 18 LYS C C 2.973 2.047 -11.183 1.00 . A A . 18 LYS C 1 1 12 13708 1 1 18 LYS CA C 4.363 2.509 -10.752 1.00 . A A . 18 LYS CA 1 1 12 13709 1 1 18 LYS CB C 5.476 1.925 -11.629 1.00 . A A . 18 LYS CB 1 1 12 13710 1 1 18 LYS CD C 6.411 1.663 -13.903 1.00 . A A . 18 LYS CD 1 1 12 13711 1 1 18 LYS CE C 6.130 1.275 -15.361 1.00 . A A . 18 LYS CE 1 1 12 13712 1 1 18 LYS CG C 5.124 1.927 -13.116 1.00 . A A . 18 LYS CG 1 1 12 13713 1 1 18 LYS H H 5.392 1.504 -9.203 1.00 . A A . 18 LYS H 1 1 12 13714 1 1 18 LYS HA H 4.397 3.596 -10.833 1.00 . A A . 18 LYS HA 1 1 12 13715 1 1 18 LYS HB2 H 6.373 2.530 -11.492 1.00 . A A . 18 LYS HB2 1 1 12 13716 1 1 18 LYS HB3 H 5.694 0.899 -11.327 1.00 . A A . 18 LYS HB3 1 1 12 13717 1 1 18 LYS HD2 H 7.056 2.543 -13.833 1.00 . A A . 18 LYS HD2 1 1 12 13718 1 1 18 LYS HD3 H 6.946 0.840 -13.420 1.00 . A A . 18 LYS HD3 1 1 12 13719 1 1 18 LYS HE2 H 7.080 1.203 -15.894 1.00 . A A . 18 LYS HE2 1 1 12 13720 1 1 18 LYS HE3 H 5.650 0.294 -15.375 1.00 . A A . 18 LYS HE3 1 1 12 13721 1 1 18 LYS HG2 H 4.393 1.142 -13.318 1.00 . A A . 18 LYS HG2 1 1 12 13722 1 1 18 LYS HG3 H 4.699 2.898 -13.379 1.00 . A A . 18 LYS HG3 1 1 12 13723 1 1 18 LYS HZ1 H 5.031 1.944 -16.984 1.00 . A A . 18 LYS HZ1 1 1 12 13724 1 1 18 LYS HZ2 H 4.351 2.300 -15.557 1.00 . A A . 18 LYS HZ2 1 1 12 13725 1 1 18 LYS HZ3 H 5.640 3.165 -16.050 1.00 . A A . 18 LYS HZ3 1 1 12 13726 1 1 18 LYS N N 4.622 2.138 -9.373 1.00 . A A . 18 LYS N 1 1 12 13727 1 1 18 LYS NZ N 5.244 2.238 -16.043 1.00 . A A . 18 LYS NZ 1 1 12 13728 1 1 18 LYS O O 2.179 2.855 -11.656 1.00 . A A . 18 LYS O 1 1 12 13729 1 1 19 ALA C C 0.261 1.047 -10.685 1.00 . A A . 19 ALA C 1 1 12 13730 1 1 19 ALA CA C 1.352 0.244 -11.372 1.00 . A A . 19 ALA CA 1 1 12 13731 1 1 19 ALA CB C 1.211 -1.202 -10.937 1.00 . A A . 19 ALA CB 1 1 12 13732 1 1 19 ALA H H 3.364 0.115 -10.652 1.00 . A A . 19 ALA H 1 1 12 13733 1 1 19 ALA HA H 1.222 0.300 -12.454 1.00 . A A . 19 ALA HA 1 1 12 13734 1 1 19 ALA HB1 H 1.927 -1.821 -11.472 1.00 . A A . 19 ALA HB1 1 1 12 13735 1 1 19 ALA HB2 H 1.383 -1.230 -9.863 1.00 . A A . 19 ALA HB2 1 1 12 13736 1 1 19 ALA HB3 H 0.201 -1.545 -11.148 1.00 . A A . 19 ALA HB3 1 1 12 13737 1 1 19 ALA N N 2.663 0.762 -11.024 1.00 . A A . 19 ALA N 1 1 12 13738 1 1 19 ALA O O -0.585 1.611 -11.371 1.00 . A A . 19 ALA O 1 1 12 13739 1 1 20 HIS C C -0.825 3.253 -9.185 1.00 . A A . 20 HIS C 1 1 12 13740 1 1 20 HIS CA C -0.754 1.835 -8.613 1.00 . A A . 20 HIS CA 1 1 12 13741 1 1 20 HIS CB C -0.463 1.849 -7.102 1.00 . A A . 20 HIS CB 1 1 12 13742 1 1 20 HIS CD2 C -1.778 0.359 -5.430 1.00 . A A . 20 HIS CD2 1 1 12 13743 1 1 20 HIS CE1 C -0.575 -1.458 -5.541 1.00 . A A . 20 HIS CE1 1 1 12 13744 1 1 20 HIS CG C -0.782 0.565 -6.359 1.00 . A A . 20 HIS CG 1 1 12 13745 1 1 20 HIS H H 1.076 0.746 -8.839 1.00 . A A . 20 HIS H 1 1 12 13746 1 1 20 HIS HA H -1.722 1.355 -8.775 1.00 . A A . 20 HIS HA 1 1 12 13747 1 1 20 HIS HB2 H 0.585 2.102 -6.939 1.00 . A A . 20 HIS HB2 1 1 12 13748 1 1 20 HIS HB3 H -1.061 2.641 -6.661 1.00 . A A . 20 HIS HB3 1 1 12 13749 1 1 20 HIS HD1 H 0.796 -0.720 -6.975 1.00 . A A . 20 HIS HD1 1 1 12 13750 1 1 20 HIS HD2 H -2.521 1.079 -5.133 1.00 . A A . 20 HIS HD2 1 1 12 13751 1 1 20 HIS HE1 H -0.191 -2.450 -5.376 1.00 . A A . 20 HIS HE1 1 1 12 13752 1 1 20 HIS N N 0.270 1.102 -9.346 1.00 . A A . 20 HIS N 1 1 12 13753 1 1 20 HIS ND1 N -0.034 -0.584 -6.407 1.00 . A A . 20 HIS ND1 1 1 12 13754 1 1 20 HIS NE2 N -1.645 -0.939 -4.911 1.00 . A A . 20 HIS NE2 1 1 12 13755 1 1 20 HIS O O -1.908 3.799 -9.385 1.00 . A A . 20 HIS O 1 1 12 13756 1 1 21 ALA C C -0.367 5.273 -11.370 1.00 . A A . 21 ALA C 1 1 12 13757 1 1 21 ALA CA C 0.404 5.171 -10.055 1.00 . A A . 21 ALA CA 1 1 12 13758 1 1 21 ALA CB C 1.851 5.648 -10.193 1.00 . A A . 21 ALA CB 1 1 12 13759 1 1 21 ALA H H 1.181 3.261 -9.409 1.00 . A A . 21 ALA H 1 1 12 13760 1 1 21 ALA HA H -0.083 5.846 -9.351 1.00 . A A . 21 ALA HA 1 1 12 13761 1 1 21 ALA HB1 H 1.831 6.709 -10.449 1.00 . A A . 21 ALA HB1 1 1 12 13762 1 1 21 ALA HB2 H 2.389 5.497 -9.256 1.00 . A A . 21 ALA HB2 1 1 12 13763 1 1 21 ALA HB3 H 2.374 5.115 -10.980 1.00 . A A . 21 ALA HB3 1 1 12 13764 1 1 21 ALA N N 0.335 3.828 -9.500 1.00 . A A . 21 ALA N 1 1 12 13765 1 1 21 ALA O O -1.282 6.068 -11.475 1.00 . A A . 21 ALA O 1 1 12 13766 1 1 22 GLU C C -2.080 4.125 -13.735 1.00 . A A . 22 GLU C 1 1 12 13767 1 1 22 GLU CA C -0.638 4.641 -13.706 1.00 . A A . 22 GLU CA 1 1 12 13768 1 1 22 GLU CB C 0.276 4.073 -14.798 1.00 . A A . 22 GLU CB 1 1 12 13769 1 1 22 GLU CD C 1.878 2.237 -15.438 1.00 . A A . 22 GLU CD 1 1 12 13770 1 1 22 GLU CG C 0.588 2.572 -14.698 1.00 . A A . 22 GLU CG 1 1 12 13771 1 1 22 GLU H H 0.643 3.768 -12.198 1.00 . A A . 22 GLU H 1 1 12 13772 1 1 22 GLU HA H -0.697 5.712 -13.915 1.00 . A A . 22 GLU HA 1 1 12 13773 1 1 22 GLU HB2 H -0.159 4.272 -15.778 1.00 . A A . 22 GLU HB2 1 1 12 13774 1 1 22 GLU HB3 H 1.214 4.627 -14.731 1.00 . A A . 22 GLU HB3 1 1 12 13775 1 1 22 GLU HG2 H 0.729 2.282 -13.662 1.00 . A A . 22 GLU HG2 1 1 12 13776 1 1 22 GLU HG3 H -0.238 1.994 -15.113 1.00 . A A . 22 GLU HG3 1 1 12 13777 1 1 22 GLU N N -0.036 4.487 -12.384 1.00 . A A . 22 GLU N 1 1 12 13778 1 1 22 GLU O O -2.948 4.744 -14.344 1.00 . A A . 22 GLU O 1 1 12 13779 1 1 22 GLU OE1 O 2.900 2.891 -15.137 1.00 . A A . 22 GLU OE1 1 1 12 13780 1 1 22 GLU OE2 O 1.865 1.335 -16.299 1.00 . A A . 22 GLU OE2 1 1 12 13781 1 1 23 LYS C C -4.611 3.491 -12.218 1.00 . A A . 23 LYS C 1 1 12 13782 1 1 23 LYS CA C -3.676 2.460 -12.857 1.00 . A A . 23 LYS CA 1 1 12 13783 1 1 23 LYS CB C -3.551 1.216 -11.965 1.00 . A A . 23 LYS CB 1 1 12 13784 1 1 23 LYS CD C -3.436 -0.870 -13.396 1.00 . A A . 23 LYS CD 1 1 12 13785 1 1 23 LYS CE C -3.681 -2.080 -12.480 1.00 . A A . 23 LYS CE 1 1 12 13786 1 1 23 LYS CG C -2.637 0.152 -12.600 1.00 . A A . 23 LYS CG 1 1 12 13787 1 1 23 LYS H H -1.586 2.495 -12.624 1.00 . A A . 23 LYS H 1 1 12 13788 1 1 23 LYS HA H -4.084 2.169 -13.826 1.00 . A A . 23 LYS HA 1 1 12 13789 1 1 23 LYS HB2 H -3.120 1.517 -11.011 1.00 . A A . 23 LYS HB2 1 1 12 13790 1 1 23 LYS HB3 H -4.540 0.800 -11.761 1.00 . A A . 23 LYS HB3 1 1 12 13791 1 1 23 LYS HD2 H -4.349 -0.384 -13.739 1.00 . A A . 23 LYS HD2 1 1 12 13792 1 1 23 LYS HD3 H -2.830 -1.150 -14.257 1.00 . A A . 23 LYS HD3 1 1 12 13793 1 1 23 LYS HE2 H -2.726 -2.556 -12.251 1.00 . A A . 23 LYS HE2 1 1 12 13794 1 1 23 LYS HE3 H -4.129 -1.738 -11.543 1.00 . A A . 23 LYS HE3 1 1 12 13795 1 1 23 LYS HG2 H -1.906 0.598 -13.275 1.00 . A A . 23 LYS HG2 1 1 12 13796 1 1 23 LYS HG3 H -2.081 -0.353 -11.811 1.00 . A A . 23 LYS HG3 1 1 12 13797 1 1 23 LYS HZ1 H -4.392 -3.368 -13.999 1.00 . A A . 23 LYS HZ1 1 1 12 13798 1 1 23 LYS HZ2 H -4.511 -3.920 -12.418 1.00 . A A . 23 LYS HZ2 1 1 12 13799 1 1 23 LYS HZ3 H -5.553 -2.867 -12.872 1.00 . A A . 23 LYS HZ3 1 1 12 13800 1 1 23 LYS N N -2.347 3.009 -13.052 1.00 . A A . 23 LYS N 1 1 12 13801 1 1 23 LYS NZ N -4.572 -3.110 -13.045 1.00 . A A . 23 LYS NZ 1 1 12 13802 1 1 23 LYS O O -5.714 3.709 -12.713 1.00 . A A . 23 LYS O 1 1 12 13803 1 1 24 LEU C C -4.890 6.409 -10.673 1.00 . A A . 24 LEU C 1 1 12 13804 1 1 24 LEU CA C -5.052 4.939 -10.284 1.00 . A A . 24 LEU CA 1 1 12 13805 1 1 24 LEU CB C -4.754 4.744 -8.792 1.00 . A A . 24 LEU CB 1 1 12 13806 1 1 24 LEU CD1 C -4.137 3.203 -6.944 1.00 . A A . 24 LEU CD1 1 1 12 13807 1 1 24 LEU CD2 C -6.207 2.717 -8.309 1.00 . A A . 24 LEU CD2 1 1 12 13808 1 1 24 LEU CG C -4.780 3.275 -8.331 1.00 . A A . 24 LEU CG 1 1 12 13809 1 1 24 LEU H H -3.272 3.845 -10.731 1.00 . A A . 24 LEU H 1 1 12 13810 1 1 24 LEU HA H -6.097 4.667 -10.444 1.00 . A A . 24 LEU HA 1 1 12 13811 1 1 24 LEU HB2 H -3.779 5.175 -8.568 1.00 . A A . 24 LEU HB2 1 1 12 13812 1 1 24 LEU HB3 H -5.499 5.300 -8.224 1.00 . A A . 24 LEU HB3 1 1 12 13813 1 1 24 LEU HD11 H -4.250 2.203 -6.523 1.00 . A A . 24 LEU HD11 1 1 12 13814 1 1 24 LEU HD12 H -3.080 3.437 -7.027 1.00 . A A . 24 LEU HD12 1 1 12 13815 1 1 24 LEU HD13 H -4.585 3.941 -6.287 1.00 . A A . 24 LEU HD13 1 1 12 13816 1 1 24 LEU HD21 H -6.855 3.350 -7.703 1.00 . A A . 24 LEU HD21 1 1 12 13817 1 1 24 LEU HD22 H -6.602 2.670 -9.324 1.00 . A A . 24 LEU HD22 1 1 12 13818 1 1 24 LEU HD23 H -6.201 1.707 -7.896 1.00 . A A . 24 LEU HD23 1 1 12 13819 1 1 24 LEU HG H -4.185 2.643 -8.989 1.00 . A A . 24 LEU HG 1 1 12 13820 1 1 24 LEU N N -4.194 4.078 -11.091 1.00 . A A . 24 LEU N 1 1 12 13821 1 1 24 LEU O O -5.882 7.099 -10.894 1.00 . A A . 24 LEU O 1 1 12 13822 1 1 25 GLY C C -2.065 8.723 -10.438 1.00 . A A . 25 GLY C 1 1 12 13823 1 1 25 GLY CA C -3.298 8.231 -11.182 1.00 . A A . 25 GLY CA 1 1 12 13824 1 1 25 GLY H H -2.848 6.274 -10.613 1.00 . A A . 25 GLY H 1 1 12 13825 1 1 25 GLY HA2 H -3.042 8.173 -12.236 1.00 . A A . 25 GLY HA2 1 1 12 13826 1 1 25 GLY HA3 H -4.116 8.938 -11.044 1.00 . A A . 25 GLY HA3 1 1 12 13827 1 1 25 GLY N N -3.647 6.896 -10.729 1.00 . A A . 25 GLY N 1 1 12 13828 1 1 25 GLY O O -0.967 8.755 -10.986 1.00 . A A . 25 GLY O 1 1 12 13829 1 1 26 CYS C C -2.031 10.138 -7.013 1.00 . A A . 26 CYS C 1 1 12 13830 1 1 26 CYS CA C -1.284 9.686 -8.265 1.00 . A A . 26 CYS CA 1 1 12 13831 1 1 26 CYS CB C -0.571 10.879 -8.888 1.00 . A A . 26 CYS CB 1 1 12 13832 1 1 26 CYS H H -3.219 9.011 -8.845 1.00 . A A . 26 CYS H 1 1 12 13833 1 1 26 CYS HA H -0.579 8.910 -7.979 1.00 . A A . 26 CYS HA 1 1 12 13834 1 1 26 CYS HB2 H -0.556 10.861 -9.974 1.00 . A A . 26 CYS HB2 1 1 12 13835 1 1 26 CYS HB3 H -1.065 11.808 -8.601 1.00 . A A . 26 CYS HB3 1 1 12 13836 1 1 26 CYS N N -2.270 9.103 -9.176 1.00 . A A . 26 CYS N 1 1 12 13837 1 1 26 CYS O O -1.659 9.835 -5.876 1.00 . A A . 26 CYS O 1 1 12 13838 1 1 26 CYS SG S 1.144 10.956 -8.322 1.00 . A A . 26 CYS SG 1 1 12 13839 1 1 27 ASP C C -4.423 10.541 -5.252 1.00 . A A . 27 ASP C 1 1 12 13840 1 1 27 ASP CA C -4.051 11.500 -6.371 1.00 . A A . 27 ASP CA 1 1 12 13841 1 1 27 ASP CB C -5.324 11.913 -7.142 1.00 . A A . 27 ASP CB 1 1 12 13842 1 1 27 ASP CG C -5.060 12.475 -8.536 1.00 . A A . 27 ASP CG 1 1 12 13843 1 1 27 ASP H H -3.404 10.899 -8.269 1.00 . A A . 27 ASP H 1 1 12 13844 1 1 27 ASP HA H -3.562 12.387 -5.962 1.00 . A A . 27 ASP HA 1 1 12 13845 1 1 27 ASP HB2 H -5.972 11.046 -7.276 1.00 . A A . 27 ASP HB2 1 1 12 13846 1 1 27 ASP HB3 H -5.867 12.652 -6.552 1.00 . A A . 27 ASP HB3 1 1 12 13847 1 1 27 ASP N N -3.140 10.828 -7.285 1.00 . A A . 27 ASP N 1 1 12 13848 1 1 27 ASP O O -4.498 10.902 -4.082 1.00 . A A . 27 ASP O 1 1 12 13849 1 1 27 ASP OD1 O -4.513 11.692 -9.350 1.00 . A A . 27 ASP OD1 1 1 12 13850 1 1 27 ASP OD2 O -5.404 13.653 -8.763 1.00 . A A . 27 ASP OD2 1 1 12 13851 1 1 28 ALA C C -4.087 8.109 -3.545 1.00 . A A . 28 ALA C 1 1 12 13852 1 1 28 ALA CA C -4.901 8.135 -4.841 1.00 . A A . 28 ALA CA 1 1 12 13853 1 1 28 ALA CB C -4.611 6.888 -5.673 1.00 . A A . 28 ALA CB 1 1 12 13854 1 1 28 ALA H H -4.508 9.138 -6.657 1.00 . A A . 28 ALA H 1 1 12 13855 1 1 28 ALA HA H -5.962 8.159 -4.597 1.00 . A A . 28 ALA HA 1 1 12 13856 1 1 28 ALA HB1 H -5.274 6.869 -6.537 1.00 . A A . 28 ALA HB1 1 1 12 13857 1 1 28 ALA HB2 H -3.575 6.896 -6.013 1.00 . A A . 28 ALA HB2 1 1 12 13858 1 1 28 ALA HB3 H -4.780 6.002 -5.066 1.00 . A A . 28 ALA HB3 1 1 12 13859 1 1 28 ALA N N -4.623 9.288 -5.666 1.00 . A A . 28 ALA N 1 1 12 13860 1 1 28 ALA O O -4.617 7.720 -2.506 1.00 . A A . 28 ALA O 1 1 12 13861 1 1 29 CYS C C -1.259 9.777 -2.199 1.00 . A A . 29 CYS C 1 1 12 13862 1 1 29 CYS CA C -1.883 8.411 -2.493 1.00 . A A . 29 CYS CA 1 1 12 13863 1 1 29 CYS CB C -0.816 7.385 -2.769 1.00 . A A . 29 CYS CB 1 1 12 13864 1 1 29 CYS H H -2.455 8.811 -4.516 1.00 . A A . 29 CYS H 1 1 12 13865 1 1 29 CYS HA H -2.410 8.101 -1.587 1.00 . A A . 29 CYS HA 1 1 12 13866 1 1 29 CYS HB2 H -0.221 7.722 -3.617 1.00 . A A . 29 CYS HB2 1 1 12 13867 1 1 29 CYS HB3 H -0.168 7.295 -1.896 1.00 . A A . 29 CYS HB3 1 1 12 13868 1 1 29 CYS N N -2.804 8.477 -3.622 1.00 . A A . 29 CYS N 1 1 12 13869 1 1 29 CYS O O -1.079 10.133 -1.036 1.00 . A A . 29 CYS O 1 1 12 13870 1 1 29 CYS SG S -1.549 5.756 -3.138 1.00 . A A . 29 CYS SG 1 1 12 13871 1 1 30 HIS C C -0.874 12.981 -3.343 1.00 . A A . 30 HIS C 1 1 12 13872 1 1 30 HIS CA C -0.058 11.725 -3.070 1.00 . A A . 30 HIS CA 1 1 12 13873 1 1 30 HIS CB C 1.153 11.656 -3.996 1.00 . A A . 30 HIS CB 1 1 12 13874 1 1 30 HIS CD2 C 2.481 9.536 -4.389 1.00 . A A . 30 HIS CD2 1 1 12 13875 1 1 30 HIS CE1 C 3.944 9.652 -2.776 1.00 . A A . 30 HIS CE1 1 1 12 13876 1 1 30 HIS CG C 2.137 10.590 -3.611 1.00 . A A . 30 HIS CG 1 1 12 13877 1 1 30 HIS H H -1.125 10.247 -4.178 1.00 . A A . 30 HIS H 1 1 12 13878 1 1 30 HIS HA H 0.330 11.802 -2.053 1.00 . A A . 30 HIS HA 1 1 12 13879 1 1 30 HIS HB2 H 0.805 11.492 -5.019 1.00 . A A . 30 HIS HB2 1 1 12 13880 1 1 30 HIS HB3 H 1.662 12.619 -3.984 1.00 . A A . 30 HIS HB3 1 1 12 13881 1 1 30 HIS HD1 H 3.069 11.386 -1.897 1.00 . A A . 30 HIS HD1 1 1 12 13882 1 1 30 HIS HD2 H 2.007 9.255 -5.305 1.00 . A A . 30 HIS HD2 1 1 12 13883 1 1 30 HIS HE1 H 4.831 9.445 -2.199 1.00 . A A . 30 HIS HE1 1 1 12 13884 1 1 30 HIS N N -0.874 10.529 -3.234 1.00 . A A . 30 HIS N 1 1 12 13885 1 1 30 HIS ND1 N 3.046 10.650 -2.585 1.00 . A A . 30 HIS ND1 1 1 12 13886 1 1 30 HIS NE2 N 3.634 8.954 -3.874 1.00 . A A . 30 HIS NE2 1 1 12 13887 1 1 30 HIS O O -0.760 13.570 -4.415 1.00 . A A . 30 HIS O 1 1 12 13888 1 1 31 GLU C C -1.452 15.849 -2.297 1.00 . A A . 31 GLU C 1 1 12 13889 1 1 31 GLU CA C -2.400 14.660 -2.440 1.00 . A A . 31 GLU CA 1 1 12 13890 1 1 31 GLU CB C -3.485 14.734 -1.352 1.00 . A A . 31 GLU CB 1 1 12 13891 1 1 31 GLU CD C -5.499 13.619 -0.384 1.00 . A A . 31 GLU CD 1 1 12 13892 1 1 31 GLU CG C -4.204 13.405 -1.154 1.00 . A A . 31 GLU CG 1 1 12 13893 1 1 31 GLU H H -1.672 12.862 -1.504 1.00 . A A . 31 GLU H 1 1 12 13894 1 1 31 GLU HA H -2.889 14.700 -3.416 1.00 . A A . 31 GLU HA 1 1 12 13895 1 1 31 GLU HB2 H -3.102 15.032 -0.377 1.00 . A A . 31 GLU HB2 1 1 12 13896 1 1 31 GLU HB3 H -4.217 15.483 -1.665 1.00 . A A . 31 GLU HB3 1 1 12 13897 1 1 31 GLU HG2 H -4.411 12.995 -2.136 1.00 . A A . 31 GLU HG2 1 1 12 13898 1 1 31 GLU HG3 H -3.582 12.700 -0.603 1.00 . A A . 31 GLU HG3 1 1 12 13899 1 1 31 GLU N N -1.638 13.420 -2.345 1.00 . A A . 31 GLU N 1 1 12 13900 1 1 31 GLU O O -1.307 16.682 -3.186 1.00 . A A . 31 GLU O 1 1 12 13901 1 1 31 GLU OE1 O -6.500 13.979 -1.039 1.00 . A A . 31 GLU OE1 1 1 12 13902 1 1 31 GLU OE2 O -5.446 13.475 0.856 1.00 . A A . 31 GLU OE2 1 1 12 13903 1 1 32 GLY C C 1.185 17.279 -1.483 1.00 . A A . 32 GLY C 1 1 12 13904 1 1 32 GLY CA C -0.081 17.070 -0.657 1.00 . A A . 32 GLY CA 1 1 12 13905 1 1 32 GLY H H -1.077 15.168 -0.476 1.00 . A A . 32 GLY H 1 1 12 13906 1 1 32 GLY HA2 H -0.707 17.960 -0.730 1.00 . A A . 32 GLY HA2 1 1 12 13907 1 1 32 GLY HA3 H 0.192 16.924 0.388 1.00 . A A . 32 GLY HA3 1 1 12 13908 1 1 32 GLY N N -0.838 15.914 -1.117 1.00 . A A . 32 GLY N 1 1 12 13909 1 1 32 GLY O O 1.322 18.272 -2.192 1.00 . A A . 32 GLY O 1 1 12 13910 1 1 33 THR C C 4.040 15.002 -1.947 1.00 . A A . 33 THR C 1 1 12 13911 1 1 33 THR CA C 3.390 16.379 -2.099 1.00 . A A . 33 THR CA 1 1 12 13912 1 1 33 THR CB C 4.299 17.516 -1.590 1.00 . A A . 33 THR CB 1 1 12 13913 1 1 33 THR CG2 C 4.634 17.414 -0.096 1.00 . A A . 33 THR CG2 1 1 12 13914 1 1 33 THR H H 1.993 15.567 -0.740 1.00 . A A . 33 THR H 1 1 12 13915 1 1 33 THR HA H 3.148 16.573 -3.143 1.00 . A A . 33 THR HA 1 1 12 13916 1 1 33 THR HB H 3.802 18.475 -1.753 1.00 . A A . 33 THR HB 1 1 12 13917 1 1 33 THR HG1 H 5.352 17.944 -3.172 1.00 . A A . 33 THR HG1 1 1 12 13918 1 1 33 THR HG21 H 3.723 17.401 0.500 1.00 . A A . 33 THR HG21 1 1 12 13919 1 1 33 THR HG22 H 5.212 16.514 0.109 1.00 . A A . 33 THR HG22 1 1 12 13920 1 1 33 THR HG23 H 5.228 18.280 0.195 1.00 . A A . 33 THR HG23 1 1 12 13921 1 1 33 THR N N 2.136 16.351 -1.362 1.00 . A A . 33 THR N 1 1 12 13922 1 1 33 THR O O 4.010 14.440 -0.850 1.00 . A A . 33 THR O 1 1 12 13923 1 1 33 THR OG1 O 5.508 17.533 -2.317 1.00 . A A . 33 THR OG1 1 1 12 13924 1 1 34 PRO C C 6.661 13.219 -2.381 1.00 . A A . 34 PRO C 1 1 12 13925 1 1 34 PRO CA C 5.246 13.111 -2.936 1.00 . A A . 34 PRO CA 1 1 12 13926 1 1 34 PRO CB C 5.203 12.573 -4.361 1.00 . A A . 34 PRO CB 1 1 12 13927 1 1 34 PRO CD C 4.617 14.898 -4.374 1.00 . A A . 34 PRO CD 1 1 12 13928 1 1 34 PRO CG C 5.409 13.852 -5.157 1.00 . A A . 34 PRO CG 1 1 12 13929 1 1 34 PRO HA H 4.712 12.440 -2.275 1.00 . A A . 34 PRO HA 1 1 12 13930 1 1 34 PRO HB2 H 5.962 11.821 -4.559 1.00 . A A . 34 PRO HB2 1 1 12 13931 1 1 34 PRO HB3 H 4.217 12.168 -4.587 1.00 . A A . 34 PRO HB3 1 1 12 13932 1 1 34 PRO HD2 H 5.090 15.876 -4.465 1.00 . A A . 34 PRO HD2 1 1 12 13933 1 1 34 PRO HD3 H 3.594 14.933 -4.753 1.00 . A A . 34 PRO HD3 1 1 12 13934 1 1 34 PRO HG2 H 6.468 14.100 -5.145 1.00 . A A . 34 PRO HG2 1 1 12 13935 1 1 34 PRO HG3 H 5.040 13.739 -6.167 1.00 . A A . 34 PRO HG3 1 1 12 13936 1 1 34 PRO N N 4.613 14.415 -3.007 1.00 . A A . 34 PRO N 1 1 12 13937 1 1 34 PRO O O 7.609 12.681 -2.950 1.00 . A A . 34 PRO O 1 1 12 13938 1 1 35 ALA C C 8.180 12.493 0.291 1.00 . A A . 35 ALA C 1 1 12 13939 1 1 35 ALA CA C 8.046 13.828 -0.453 1.00 . A A . 35 ALA CA 1 1 12 13940 1 1 35 ALA CB C 8.034 15.042 0.474 1.00 . A A . 35 ALA CB 1 1 12 13941 1 1 35 ALA H H 5.960 14.158 -0.735 1.00 . A A . 35 ALA H 1 1 12 13942 1 1 35 ALA HA H 8.892 13.934 -1.134 1.00 . A A . 35 ALA HA 1 1 12 13943 1 1 35 ALA HB1 H 7.209 14.958 1.181 1.00 . A A . 35 ALA HB1 1 1 12 13944 1 1 35 ALA HB2 H 8.978 15.109 1.014 1.00 . A A . 35 ALA HB2 1 1 12 13945 1 1 35 ALA HB3 H 7.897 15.937 -0.135 1.00 . A A . 35 ALA HB3 1 1 12 13946 1 1 35 ALA N N 6.797 13.823 -1.201 1.00 . A A . 35 ALA N 1 1 12 13947 1 1 35 ALA O O 8.502 12.452 1.477 1.00 . A A . 35 ALA O 1 1 12 13948 1 1 36 LYS C C 6.659 9.968 1.208 1.00 . A A . 36 LYS C 1 1 12 13949 1 1 36 LYS CA C 7.640 10.070 0.043 1.00 . A A . 36 LYS CA 1 1 12 13950 1 1 36 LYS CB C 8.934 9.288 0.182 1.00 . A A . 36 LYS CB 1 1 12 13951 1 1 36 LYS CD C 11.061 8.544 1.252 1.00 . A A . 36 LYS CD 1 1 12 13952 1 1 36 LYS CE C 11.453 8.164 -0.189 1.00 . A A . 36 LYS CE 1 1 12 13953 1 1 36 LYS CG C 9.987 9.659 1.233 1.00 . A A . 36 LYS CG 1 1 12 13954 1 1 36 LYS H H 7.829 11.528 -1.440 1.00 . A A . 36 LYS H 1 1 12 13955 1 1 36 LYS HA H 7.110 9.595 -0.784 1.00 . A A . 36 LYS HA 1 1 12 13956 1 1 36 LYS HB2 H 8.687 8.246 0.331 1.00 . A A . 36 LYS HB2 1 1 12 13957 1 1 36 LYS HB3 H 9.385 9.435 -0.795 1.00 . A A . 36 LYS HB3 1 1 12 13958 1 1 36 LYS HD2 H 11.932 8.906 1.802 1.00 . A A . 36 LYS HD2 1 1 12 13959 1 1 36 LYS HD3 H 10.659 7.668 1.764 1.00 . A A . 36 LYS HD3 1 1 12 13960 1 1 36 LYS HE2 H 10.599 7.773 -0.726 1.00 . A A . 36 LYS HE2 1 1 12 13961 1 1 36 LYS HE3 H 11.816 9.046 -0.708 1.00 . A A . 36 LYS HE3 1 1 12 13962 1 1 36 LYS HG2 H 10.439 10.616 0.964 1.00 . A A . 36 LYS HG2 1 1 12 13963 1 1 36 LYS HG3 H 9.526 9.758 2.218 1.00 . A A . 36 LYS HG3 1 1 12 13964 1 1 36 LYS HZ1 H 11.806 6.170 -0.318 1.00 . A A . 36 LYS HZ1 1 1 12 13965 1 1 36 LYS HZ2 H 12.702 7.091 -1.315 1.00 . A A . 36 LYS HZ2 1 1 12 13966 1 1 36 LYS HZ3 H 13.147 7.019 0.287 1.00 . A A . 36 LYS HZ3 1 1 12 13967 1 1 36 LYS N N 7.913 11.406 -0.438 1.00 . A A . 36 LYS N 1 1 12 13968 1 1 36 LYS NZ N 12.370 7.026 -0.348 1.00 . A A . 36 LYS NZ 1 1 12 13969 1 1 36 LYS O O 6.061 10.959 1.618 1.00 . A A . 36 LYS O 1 1 12 13970 1 1 37 ILE C C 5.968 7.680 3.841 1.00 . A A . 37 ILE C 1 1 12 13971 1 1 37 ILE CA C 5.389 8.464 2.671 1.00 . A A . 37 ILE CA 1 1 12 13972 1 1 37 ILE CB C 4.165 7.752 2.058 1.00 . A A . 37 ILE CB 1 1 12 13973 1 1 37 ILE CD1 C 2.524 7.788 0.071 1.00 . A A . 37 ILE CD1 1 1 12 13974 1 1 37 ILE CG1 C 3.859 8.276 0.648 1.00 . A A . 37 ILE CG1 1 1 12 13975 1 1 37 ILE CG2 C 2.955 7.941 2.987 1.00 . A A . 37 ILE CG2 1 1 12 13976 1 1 37 ILE H H 6.905 7.958 1.214 1.00 . A A . 37 ILE H 1 1 12 13977 1 1 37 ILE HA H 5.045 9.400 3.096 1.00 . A A . 37 ILE HA 1 1 12 13978 1 1 37 ILE HB H 4.385 6.689 1.975 1.00 . A A . 37 ILE HB 1 1 12 13979 1 1 37 ILE HD11 H 2.468 8.046 -0.986 1.00 . A A . 37 ILE HD11 1 1 12 13980 1 1 37 ILE HD12 H 2.433 6.708 0.176 1.00 . A A . 37 ILE HD12 1 1 12 13981 1 1 37 ILE HD13 H 1.690 8.272 0.580 1.00 . A A . 37 ILE HD13 1 1 12 13982 1 1 37 ILE HG12 H 3.842 9.364 0.662 1.00 . A A . 37 ILE HG12 1 1 12 13983 1 1 37 ILE HG13 H 4.664 7.936 -0.003 1.00 . A A . 37 ILE HG13 1 1 12 13984 1 1 37 ILE HG21 H 3.204 7.628 4.001 1.00 . A A . 37 ILE HG21 1 1 12 13985 1 1 37 ILE HG22 H 2.660 8.991 3.006 1.00 . A A . 37 ILE HG22 1 1 12 13986 1 1 37 ILE HG23 H 2.114 7.343 2.644 1.00 . A A . 37 ILE HG23 1 1 12 13987 1 1 37 ILE N N 6.418 8.731 1.660 1.00 . A A . 37 ILE N 1 1 12 13988 1 1 37 ILE O O 5.699 7.982 4.998 1.00 . A A . 37 ILE O 1 1 12 13989 1 1 38 ALA C C 6.241 5.015 5.245 1.00 . A A . 38 ALA C 1 1 12 13990 1 1 38 ALA CA C 7.340 5.716 4.455 1.00 . A A . 38 ALA CA 1 1 12 13991 1 1 38 ALA CB C 8.344 6.398 5.381 1.00 . A A . 38 ALA CB 1 1 12 13992 1 1 38 ALA H H 6.859 6.494 2.525 1.00 . A A . 38 ALA H 1 1 12 13993 1 1 38 ALA HA H 7.877 4.956 3.884 1.00 . A A . 38 ALA HA 1 1 12 13994 1 1 38 ALA HB1 H 8.815 5.634 6.002 1.00 . A A . 38 ALA HB1 1 1 12 13995 1 1 38 ALA HB2 H 9.096 6.915 4.786 1.00 . A A . 38 ALA HB2 1 1 12 13996 1 1 38 ALA HB3 H 7.835 7.104 6.036 1.00 . A A . 38 ALA HB3 1 1 12 13997 1 1 38 ALA N N 6.757 6.660 3.509 1.00 . A A . 38 ALA N 1 1 12 13998 1 1 38 ALA O O 6.267 4.954 6.470 1.00 . A A . 38 ALA O 1 1 12 13999 1 1 39 ILE C C 4.973 2.369 5.655 1.00 . A A . 39 ILE C 1 1 12 14000 1 1 39 ILE CA C 4.278 3.596 5.101 1.00 . A A . 39 ILE CA 1 1 12 14001 1 1 39 ILE CB C 3.274 3.186 4.023 1.00 . A A . 39 ILE CB 1 1 12 14002 1 1 39 ILE CD1 C 1.672 5.123 4.628 1.00 . A A . 39 ILE CD1 1 1 12 14003 1 1 39 ILE CG1 C 2.477 4.400 3.544 1.00 . A A . 39 ILE CG1 1 1 12 14004 1 1 39 ILE CG2 C 2.362 2.066 4.531 1.00 . A A . 39 ILE CG2 1 1 12 14005 1 1 39 ILE H H 5.324 4.529 3.514 1.00 . A A . 39 ILE H 1 1 12 14006 1 1 39 ILE HA H 3.756 4.089 5.931 1.00 . A A . 39 ILE HA 1 1 12 14007 1 1 39 ILE HB H 3.817 2.793 3.162 1.00 . A A . 39 ILE HB 1 1 12 14008 1 1 39 ILE HD11 H 1.107 4.419 5.230 1.00 . A A . 39 ILE HD11 1 1 12 14009 1 1 39 ILE HD12 H 2.337 5.693 5.277 1.00 . A A . 39 ILE HD12 1 1 12 14010 1 1 39 ILE HD13 H 0.976 5.815 4.154 1.00 . A A . 39 ILE HD13 1 1 12 14011 1 1 39 ILE HG12 H 3.164 5.112 3.099 1.00 . A A . 39 ILE HG12 1 1 12 14012 1 1 39 ILE HG13 H 1.809 4.048 2.768 1.00 . A A . 39 ILE HG13 1 1 12 14013 1 1 39 ILE HG21 H 1.539 1.916 3.840 1.00 . A A . 39 ILE HG21 1 1 12 14014 1 1 39 ILE HG22 H 2.912 1.127 4.600 1.00 . A A . 39 ILE HG22 1 1 12 14015 1 1 39 ILE HG23 H 1.975 2.328 5.512 1.00 . A A . 39 ILE HG23 1 1 12 14016 1 1 39 ILE N N 5.273 4.466 4.516 1.00 . A A . 39 ILE N 1 1 12 14017 1 1 39 ILE O O 5.621 1.626 4.928 1.00 . A A . 39 ILE O 1 1 12 14018 1 1 40 ASP C C 4.037 0.596 8.656 1.00 . A A . 40 ASP C 1 1 12 14019 1 1 40 ASP CA C 5.112 0.915 7.619 1.00 . A A . 40 ASP CA 1 1 12 14020 1 1 40 ASP CB C 6.519 1.018 8.228 1.00 . A A . 40 ASP CB 1 1 12 14021 1 1 40 ASP CG C 6.612 1.962 9.425 1.00 . A A . 40 ASP CG 1 1 12 14022 1 1 40 ASP H H 4.359 2.896 7.475 1.00 . A A . 40 ASP H 1 1 12 14023 1 1 40 ASP HA H 5.126 0.105 6.890 1.00 . A A . 40 ASP HA 1 1 12 14024 1 1 40 ASP HB2 H 6.864 0.030 8.524 1.00 . A A . 40 ASP HB2 1 1 12 14025 1 1 40 ASP HB3 H 7.204 1.364 7.464 1.00 . A A . 40 ASP HB3 1 1 12 14026 1 1 40 ASP N N 4.772 2.147 6.939 1.00 . A A . 40 ASP N 1 1 12 14027 1 1 40 ASP O O 2.936 1.159 8.631 1.00 . A A . 40 ASP O 1 1 12 14028 1 1 40 ASP OD1 O 5.697 2.797 9.582 1.00 . A A . 40 ASP OD1 1 1 12 14029 1 1 40 ASP OD2 O 7.588 1.797 10.189 1.00 . A A . 40 ASP OD2 1 1 12 14030 1 1 41 LYS C C 2.895 0.397 11.319 1.00 . A A . 41 LYS C 1 1 12 14031 1 1 41 LYS CA C 3.753 -0.728 10.772 1.00 . A A . 41 LYS CA 1 1 12 14032 1 1 41 LYS CB C 4.810 -1.202 11.774 1.00 . A A . 41 LYS CB 1 1 12 14033 1 1 41 LYS CD C 7.182 -0.773 12.646 1.00 . A A . 41 LYS CD 1 1 12 14034 1 1 41 LYS CE C 7.616 -2.232 12.462 1.00 . A A . 41 LYS CE 1 1 12 14035 1 1 41 LYS CG C 6.079 -0.342 11.691 1.00 . A A . 41 LYS CG 1 1 12 14036 1 1 41 LYS H H 5.188 -0.926 9.316 1.00 . A A . 41 LYS H 1 1 12 14037 1 1 41 LYS HA H 3.152 -1.611 10.591 1.00 . A A . 41 LYS HA 1 1 12 14038 1 1 41 LYS HB2 H 4.395 -1.154 12.775 1.00 . A A . 41 LYS HB2 1 1 12 14039 1 1 41 LYS HB3 H 5.021 -2.251 11.562 1.00 . A A . 41 LYS HB3 1 1 12 14040 1 1 41 LYS HD2 H 8.024 -0.108 12.457 1.00 . A A . 41 LYS HD2 1 1 12 14041 1 1 41 LYS HD3 H 6.824 -0.625 13.663 1.00 . A A . 41 LYS HD3 1 1 12 14042 1 1 41 LYS HE2 H 8.574 -2.399 12.956 1.00 . A A . 41 LYS HE2 1 1 12 14043 1 1 41 LYS HE3 H 6.877 -2.869 12.948 1.00 . A A . 41 LYS HE3 1 1 12 14044 1 1 41 LYS HG2 H 6.516 -0.386 10.701 1.00 . A A . 41 LYS HG2 1 1 12 14045 1 1 41 LYS HG3 H 5.828 0.702 11.892 1.00 . A A . 41 LYS HG3 1 1 12 14046 1 1 41 LYS HZ1 H 7.807 -3.686 11.072 1.00 . A A . 41 LYS HZ1 1 1 12 14047 1 1 41 LYS HZ2 H 6.855 -2.512 10.527 1.00 . A A . 41 LYS HZ2 1 1 12 14048 1 1 41 LYS HZ3 H 8.457 -2.275 10.493 1.00 . A A . 41 LYS HZ3 1 1 12 14049 1 1 41 LYS N N 4.368 -0.365 9.521 1.00 . A A . 41 LYS N 1 1 12 14050 1 1 41 LYS NZ N 7.715 -2.670 11.051 1.00 . A A . 41 LYS NZ 1 1 12 14051 1 1 41 LYS O O 3.370 1.479 11.644 1.00 . A A . 41 LYS O 1 1 12 14052 1 1 42 LYS C C -0.052 1.636 10.642 1.00 . A A . 42 LYS C 1 1 12 14053 1 1 42 LYS CA C 0.535 0.941 11.871 1.00 . A A . 42 LYS CA 1 1 12 14054 1 1 42 LYS CB C 0.910 1.876 13.044 1.00 . A A . 42 LYS CB 1 1 12 14055 1 1 42 LYS CD C 2.137 1.961 15.312 1.00 . A A . 42 LYS CD 1 1 12 14056 1 1 42 LYS CE C 1.056 2.530 16.240 1.00 . A A . 42 LYS CE 1 1 12 14057 1 1 42 LYS CG C 1.549 1.081 14.200 1.00 . A A . 42 LYS CG 1 1 12 14058 1 1 42 LYS H H 1.387 -0.837 11.073 1.00 . A A . 42 LYS H 1 1 12 14059 1 1 42 LYS HA H -0.241 0.276 12.255 1.00 . A A . 42 LYS HA 1 1 12 14060 1 1 42 LYS HB2 H 1.581 2.667 12.708 1.00 . A A . 42 LYS HB2 1 1 12 14061 1 1 42 LYS HB3 H -0.002 2.353 13.403 1.00 . A A . 42 LYS HB3 1 1 12 14062 1 1 42 LYS HD2 H 2.815 1.332 15.893 1.00 . A A . 42 LYS HD2 1 1 12 14063 1 1 42 LYS HD3 H 2.723 2.761 14.853 1.00 . A A . 42 LYS HD3 1 1 12 14064 1 1 42 LYS HE2 H 0.424 3.221 15.680 1.00 . A A . 42 LYS HE2 1 1 12 14065 1 1 42 LYS HE3 H 0.436 1.711 16.610 1.00 . A A . 42 LYS HE3 1 1 12 14066 1 1 42 LYS HG2 H 0.816 0.382 14.601 1.00 . A A . 42 LYS HG2 1 1 12 14067 1 1 42 LYS HG3 H 2.387 0.493 13.832 1.00 . A A . 42 LYS HG3 1 1 12 14068 1 1 42 LYS HZ1 H 2.214 4.010 17.085 1.00 . A A . 42 LYS HZ1 1 1 12 14069 1 1 42 LYS HZ2 H 0.916 3.581 18.001 1.00 . A A . 42 LYS HZ2 1 1 12 14070 1 1 42 LYS HZ3 H 2.229 2.597 17.931 1.00 . A A . 42 LYS HZ3 1 1 12 14071 1 1 42 LYS N N 1.614 0.074 11.438 1.00 . A A . 42 LYS N 1 1 12 14072 1 1 42 LYS NZ N 1.649 3.231 17.399 1.00 . A A . 42 LYS NZ 1 1 12 14073 1 1 42 LYS O O -1.142 1.250 10.231 1.00 . A A . 42 LYS O 1 1 12 14074 1 1 43 SER C C -0.472 2.458 7.811 1.00 . A A . 43 SER C 1 1 12 14075 1 1 43 SER CA C 0.094 3.369 8.904 1.00 . A A . 43 SER CA 1 1 12 14076 1 1 43 SER CB C 1.181 4.298 8.362 1.00 . A A . 43 SER CB 1 1 12 14077 1 1 43 SER H H 1.615 2.775 10.255 1.00 . A A . 43 SER H 1 1 12 14078 1 1 43 SER HA H -0.712 3.995 9.287 1.00 . A A . 43 SER HA 1 1 12 14079 1 1 43 SER HB2 H 1.972 3.716 7.882 1.00 . A A . 43 SER HB2 1 1 12 14080 1 1 43 SER HB3 H 0.747 4.983 7.631 1.00 . A A . 43 SER HB3 1 1 12 14081 1 1 43 SER HG H 1.085 5.629 9.786 1.00 . A A . 43 SER HG 1 1 12 14082 1 1 43 SER N N 0.645 2.591 10.014 1.00 . A A . 43 SER N 1 1 12 14083 1 1 43 SER O O -1.631 2.590 7.410 1.00 . A A . 43 SER O 1 1 12 14084 1 1 43 SER OG O 1.744 5.022 9.438 1.00 . A A . 43 SER OG 1 1 12 14085 1 1 44 ALA C C -1.397 -0.096 6.605 1.00 . A A . 44 ALA C 1 1 12 14086 1 1 44 ALA CA C 0.025 0.437 6.438 1.00 . A A . 44 ALA CA 1 1 12 14087 1 1 44 ALA CB C 1.029 -0.696 6.622 1.00 . A A . 44 ALA CB 1 1 12 14088 1 1 44 ALA H H 1.284 1.479 7.780 1.00 . A A . 44 ALA H 1 1 12 14089 1 1 44 ALA HA H 0.145 0.804 5.428 1.00 . A A . 44 ALA HA 1 1 12 14090 1 1 44 ALA HB1 H 0.728 -1.503 5.959 1.00 . A A . 44 ALA HB1 1 1 12 14091 1 1 44 ALA HB2 H 2.032 -0.354 6.364 1.00 . A A . 44 ALA HB2 1 1 12 14092 1 1 44 ALA HB3 H 1.031 -1.057 7.651 1.00 . A A . 44 ALA HB3 1 1 12 14093 1 1 44 ALA N N 0.349 1.493 7.386 1.00 . A A . 44 ALA N 1 1 12 14094 1 1 44 ALA O O -2.199 -0.112 5.667 1.00 . A A . 44 ALA O 1 1 12 14095 1 1 45 HIS C C -3.995 -0.140 8.498 1.00 . A A . 45 HIS C 1 1 12 14096 1 1 45 HIS CA C -2.926 -1.194 8.180 1.00 . A A . 45 HIS CA 1 1 12 14097 1 1 45 HIS CB C -2.702 -2.065 9.420 1.00 . A A . 45 HIS CB 1 1 12 14098 1 1 45 HIS CD2 C -1.174 -3.853 8.229 1.00 . A A . 45 HIS CD2 1 1 12 14099 1 1 45 HIS CE1 C -1.135 -5.310 9.868 1.00 . A A . 45 HIS CE1 1 1 12 14100 1 1 45 HIS CG C -1.919 -3.356 9.280 1.00 . A A . 45 HIS CG 1 1 12 14101 1 1 45 HIS H H -0.985 -0.429 8.546 1.00 . A A . 45 HIS H 1 1 12 14102 1 1 45 HIS HA H -3.282 -1.812 7.356 1.00 . A A . 45 HIS HA 1 1 12 14103 1 1 45 HIS HB2 H -2.221 -1.460 10.190 1.00 . A A . 45 HIS HB2 1 1 12 14104 1 1 45 HIS HB3 H -3.686 -2.345 9.799 1.00 . A A . 45 HIS HB3 1 1 12 14105 1 1 45 HIS HD1 H -2.261 -4.167 11.222 1.00 . A A . 45 HIS HD1 1 1 12 14106 1 1 45 HIS HD2 H -0.981 -3.370 7.282 1.00 . A A . 45 HIS HD2 1 1 12 14107 1 1 45 HIS HE1 H -0.917 -6.168 10.475 1.00 . A A . 45 HIS HE1 1 1 12 14108 1 1 45 HIS N N -1.672 -0.571 7.817 1.00 . A A . 45 HIS N 1 1 12 14109 1 1 45 HIS ND1 N -1.864 -4.275 10.297 1.00 . A A . 45 HIS ND1 1 1 12 14110 1 1 45 HIS NE2 N -0.714 -5.134 8.604 1.00 . A A . 45 HIS NE2 1 1 12 14111 1 1 45 HIS O O -5.182 -0.406 8.340 1.00 . A A . 45 HIS O 1 1 12 14112 1 1 46 LYS C C -5.187 2.759 8.428 1.00 . A A . 46 LYS C 1 1 12 14113 1 1 46 LYS CA C -4.476 2.026 9.564 1.00 . A A . 46 LYS CA 1 1 12 14114 1 1 46 LYS CB C -3.654 2.940 10.491 1.00 . A A . 46 LYS CB 1 1 12 14115 1 1 46 LYS CD C -4.581 5.293 10.260 1.00 . A A . 46 LYS CD 1 1 12 14116 1 1 46 LYS CE C -4.890 6.601 10.998 1.00 . A A . 46 LYS CE 1 1 12 14117 1 1 46 LYS CG C -4.411 4.083 11.181 1.00 . A A . 46 LYS CG 1 1 12 14118 1 1 46 LYS H H -2.590 1.187 9.102 1.00 . A A . 46 LYS H 1 1 12 14119 1 1 46 LYS HA H -5.234 1.532 10.175 1.00 . A A . 46 LYS HA 1 1 12 14120 1 1 46 LYS HB2 H -3.258 2.306 11.285 1.00 . A A . 46 LYS HB2 1 1 12 14121 1 1 46 LYS HB3 H -2.807 3.350 9.942 1.00 . A A . 46 LYS HB3 1 1 12 14122 1 1 46 LYS HD2 H -3.644 5.427 9.717 1.00 . A A . 46 LYS HD2 1 1 12 14123 1 1 46 LYS HD3 H -5.388 5.088 9.559 1.00 . A A . 46 LYS HD3 1 1 12 14124 1 1 46 LYS HE2 H -5.798 6.486 11.593 1.00 . A A . 46 LYS HE2 1 1 12 14125 1 1 46 LYS HE3 H -4.057 6.836 11.664 1.00 . A A . 46 LYS HE3 1 1 12 14126 1 1 46 LYS HG2 H -5.380 3.727 11.529 1.00 . A A . 46 LYS HG2 1 1 12 14127 1 1 46 LYS HG3 H -3.808 4.388 12.035 1.00 . A A . 46 LYS HG3 1 1 12 14128 1 1 46 LYS HZ1 H -4.276 7.729 9.383 1.00 . A A . 46 LYS HZ1 1 1 12 14129 1 1 46 LYS HZ2 H -5.882 7.572 9.472 1.00 . A A . 46 LYS HZ2 1 1 12 14130 1 1 46 LYS HZ3 H -5.116 8.606 10.505 1.00 . A A . 46 LYS HZ3 1 1 12 14131 1 1 46 LYS N N -3.586 1.017 9.019 1.00 . A A . 46 LYS N 1 1 12 14132 1 1 46 LYS NZ N -5.060 7.714 10.040 1.00 . A A . 46 LYS NZ 1 1 12 14133 1 1 46 LYS O O -6.414 2.744 8.368 1.00 . A A . 46 LYS O 1 1 12 14134 1 1 47 ASP C C -4.301 3.974 5.114 1.00 . A A . 47 ASP C 1 1 12 14135 1 1 47 ASP CA C -4.962 4.243 6.466 1.00 . A A . 47 ASP CA 1 1 12 14136 1 1 47 ASP CB C -4.924 5.745 6.796 1.00 . A A . 47 ASP CB 1 1 12 14137 1 1 47 ASP CG C -3.573 6.253 7.277 1.00 . A A . 47 ASP CG 1 1 12 14138 1 1 47 ASP H H -3.419 3.455 7.713 1.00 . A A . 47 ASP H 1 1 12 14139 1 1 47 ASP HA H -6.011 3.988 6.312 1.00 . A A . 47 ASP HA 1 1 12 14140 1 1 47 ASP HB2 H -5.191 6.309 5.902 1.00 . A A . 47 ASP HB2 1 1 12 14141 1 1 47 ASP HB3 H -5.681 5.960 7.545 1.00 . A A . 47 ASP HB3 1 1 12 14142 1 1 47 ASP N N -4.425 3.433 7.562 1.00 . A A . 47 ASP N 1 1 12 14143 1 1 47 ASP O O -4.847 4.406 4.102 1.00 . A A . 47 ASP O 1 1 12 14144 1 1 47 ASP OD1 O -2.564 5.542 7.083 1.00 . A A . 47 ASP OD1 1 1 12 14145 1 1 47 ASP OD2 O -3.599 7.311 7.949 1.00 . A A . 47 ASP OD2 1 1 12 14146 1 1 48 ALA C C -3.196 2.153 2.832 1.00 . A A . 48 ALA C 1 1 12 14147 1 1 48 ALA CA C -2.483 3.147 3.762 1.00 . A A . 48 ALA CA 1 1 12 14148 1 1 48 ALA CB C -1.004 2.812 3.961 1.00 . A A . 48 ALA CB 1 1 12 14149 1 1 48 ALA H H -2.693 3.000 5.900 1.00 . A A . 48 ALA H 1 1 12 14150 1 1 48 ALA HA H -2.502 4.128 3.285 1.00 . A A . 48 ALA HA 1 1 12 14151 1 1 48 ALA HB1 H -0.422 3.342 3.208 1.00 . A A . 48 ALA HB1 1 1 12 14152 1 1 48 ALA HB2 H -0.667 3.108 4.955 1.00 . A A . 48 ALA HB2 1 1 12 14153 1 1 48 ALA HB3 H -0.832 1.751 3.830 1.00 . A A . 48 ALA HB3 1 1 12 14154 1 1 48 ALA N N -3.163 3.278 5.044 1.00 . A A . 48 ALA N 1 1 12 14155 1 1 48 ALA O O -3.780 2.541 1.823 1.00 . A A . 48 ALA O 1 1 12 14156 1 1 49 CYS C C -4.920 -0.716 2.596 1.00 . A A . 49 CYS C 1 1 12 14157 1 1 49 CYS CA C -3.512 -0.218 2.240 1.00 . A A . 49 CYS CA 1 1 12 14158 1 1 49 CYS CB C -2.495 -1.340 2.299 1.00 . A A . 49 CYS CB 1 1 12 14159 1 1 49 CYS H H -2.563 0.597 3.946 1.00 . A A . 49 CYS H 1 1 12 14160 1 1 49 CYS HA H -3.538 0.148 1.215 1.00 . A A . 49 CYS HA 1 1 12 14161 1 1 49 CYS HB2 H -2.742 -1.974 3.141 1.00 . A A . 49 CYS HB2 1 1 12 14162 1 1 49 CYS HB3 H -2.560 -1.939 1.391 1.00 . A A . 49 CYS HB3 1 1 12 14163 1 1 49 CYS N N -3.110 0.857 3.138 1.00 . A A . 49 CYS N 1 1 12 14164 1 1 49 CYS O O -5.811 -0.792 1.742 1.00 . A A . 49 CYS O 1 1 12 14165 1 1 49 CYS SG S -0.767 -0.823 2.596 1.00 . A A . 49 CYS SG 1 1 12 14166 1 1 50 LYS C C -7.565 -0.836 4.475 1.00 . A A . 50 LYS C 1 1 12 14167 1 1 50 LYS CA C -6.347 -1.762 4.332 1.00 . A A . 50 LYS CA 1 1 12 14168 1 1 50 LYS CB C -6.071 -2.483 5.661 1.00 . A A . 50 LYS CB 1 1 12 14169 1 1 50 LYS CD C -4.834 -4.355 6.826 1.00 . A A . 50 LYS CD 1 1 12 14170 1 1 50 LYS CE C -3.698 -5.353 6.593 1.00 . A A . 50 LYS CE 1 1 12 14171 1 1 50 LYS CG C -4.999 -3.560 5.524 1.00 . A A . 50 LYS CG 1 1 12 14172 1 1 50 LYS H H -4.408 -0.879 4.545 1.00 . A A . 50 LYS H 1 1 12 14173 1 1 50 LYS HA H -6.595 -2.519 3.584 1.00 . A A . 50 LYS HA 1 1 12 14174 1 1 50 LYS HB2 H -5.762 -1.749 6.402 1.00 . A A . 50 LYS HB2 1 1 12 14175 1 1 50 LYS HB3 H -6.982 -2.964 6.012 1.00 . A A . 50 LYS HB3 1 1 12 14176 1 1 50 LYS HD2 H -4.593 -3.668 7.639 1.00 . A A . 50 LYS HD2 1 1 12 14177 1 1 50 LYS HD3 H -5.764 -4.873 7.068 1.00 . A A . 50 LYS HD3 1 1 12 14178 1 1 50 LYS HE2 H -4.026 -6.087 5.857 1.00 . A A . 50 LYS HE2 1 1 12 14179 1 1 50 LYS HE3 H -2.844 -4.805 6.197 1.00 . A A . 50 LYS HE3 1 1 12 14180 1 1 50 LYS HG2 H -5.292 -4.240 4.724 1.00 . A A . 50 LYS HG2 1 1 12 14181 1 1 50 LYS HG3 H -4.056 -3.074 5.267 1.00 . A A . 50 LYS HG3 1 1 12 14182 1 1 50 LYS HZ1 H -3.832 -6.827 8.051 1.00 . A A . 50 LYS HZ1 1 1 12 14183 1 1 50 LYS HZ2 H -2.281 -6.369 7.673 1.00 . A A . 50 LYS HZ2 1 1 12 14184 1 1 50 LYS HZ3 H -3.203 -5.393 8.584 1.00 . A A . 50 LYS HZ3 1 1 12 14185 1 1 50 LYS N N -5.143 -1.061 3.873 1.00 . A A . 50 LYS N 1 1 12 14186 1 1 50 LYS NZ N -3.243 -6.045 7.814 1.00 . A A . 50 LYS NZ 1 1 12 14187 1 1 50 LYS O O -8.360 -0.993 5.399 1.00 . A A . 50 LYS O 1 1 12 14188 1 1 51 THR C C -9.356 0.847 1.939 1.00 . A A . 51 THR C 1 1 12 14189 1 1 51 THR CA C -8.938 0.909 3.405 1.00 . A A . 51 THR CA 1 1 12 14190 1 1 51 THR CB C -8.687 2.315 3.987 1.00 . A A . 51 THR CB 1 1 12 14191 1 1 51 THR CG2 C -7.501 3.081 3.392 1.00 . A A . 51 THR CG2 1 1 12 14192 1 1 51 THR H H -7.079 0.090 2.769 1.00 . A A . 51 THR H 1 1 12 14193 1 1 51 THR HA H -9.756 0.473 3.981 1.00 . A A . 51 THR HA 1 1 12 14194 1 1 51 THR HB H -8.477 2.181 5.050 1.00 . A A . 51 THR HB 1 1 12 14195 1 1 51 THR HG1 H -9.928 3.462 3.001 1.00 . A A . 51 THR HG1 1 1 12 14196 1 1 51 THR HG21 H -6.591 2.482 3.430 1.00 . A A . 51 THR HG21 1 1 12 14197 1 1 51 THR HG22 H -7.692 3.398 2.367 1.00 . A A . 51 THR HG22 1 1 12 14198 1 1 51 THR HG23 H -7.345 3.981 3.988 1.00 . A A . 51 THR HG23 1 1 12 14199 1 1 51 THR N N -7.748 0.082 3.530 1.00 . A A . 51 THR N 1 1 12 14200 1 1 51 THR O O -10.422 0.333 1.614 1.00 . A A . 51 THR O 1 1 12 14201 1 1 51 THR OG1 O -9.847 3.115 3.893 1.00 . A A . 51 THR OG1 1 1 12 14202 1 1 52 CYS C C -8.850 -0.455 -0.668 1.00 . A A . 52 CYS C 1 1 12 14203 1 1 52 CYS CA C -8.540 1.010 -0.382 1.00 . A A . 52 CYS CA 1 1 12 14204 1 1 52 CYS CB C -7.207 1.327 -1.002 1.00 . A A . 52 CYS CB 1 1 12 14205 1 1 52 CYS H H -7.585 1.648 1.387 1.00 . A A . 52 CYS H 1 1 12 14206 1 1 52 CYS HA H -9.327 1.626 -0.818 1.00 . A A . 52 CYS HA 1 1 12 14207 1 1 52 CYS HB2 H -6.393 1.281 -0.276 1.00 . A A . 52 CYS HB2 1 1 12 14208 1 1 52 CYS HB3 H -7.005 0.576 -1.764 1.00 . A A . 52 CYS HB3 1 1 12 14209 1 1 52 CYS N N -8.448 1.251 1.048 1.00 . A A . 52 CYS N 1 1 12 14210 1 1 52 CYS O O -9.831 -0.797 -1.338 1.00 . A A . 52 CYS O 1 1 12 14211 1 1 52 CYS SG S -7.210 2.936 -1.813 1.00 . A A . 52 CYS SG 1 1 12 14212 1 1 53 HIS C C -9.366 -3.283 0.070 1.00 . A A . 53 HIS C 1 1 12 14213 1 1 53 HIS CA C -8.072 -2.735 -0.529 1.00 . A A . 53 HIS CA 1 1 12 14214 1 1 53 HIS CB C -6.858 -3.496 -0.009 1.00 . A A . 53 HIS CB 1 1 12 14215 1 1 53 HIS CD2 C -5.212 -2.455 -1.755 1.00 . A A . 53 HIS CD2 1 1 12 14216 1 1 53 HIS CE1 C -3.654 -3.972 -1.624 1.00 . A A . 53 HIS CE1 1 1 12 14217 1 1 53 HIS CG C -5.606 -3.407 -0.843 1.00 . A A . 53 HIS CG 1 1 12 14218 1 1 53 HIS H H -7.152 -1.009 0.331 1.00 . A A . 53 HIS H 1 1 12 14219 1 1 53 HIS HA H -8.121 -2.861 -1.613 1.00 . A A . 53 HIS HA 1 1 12 14220 1 1 53 HIS HB2 H -6.628 -3.184 1.009 1.00 . A A . 53 HIS HB2 1 1 12 14221 1 1 53 HIS HB3 H -7.138 -4.550 0.010 1.00 . A A . 53 HIS HB3 1 1 12 14222 1 1 53 HIS HD1 H -4.594 -5.175 -0.199 1.00 . A A . 53 HIS HD1 1 1 12 14223 1 1 53 HIS HD2 H -5.721 -1.560 -2.065 1.00 . A A . 53 HIS HD2 1 1 12 14224 1 1 53 HIS HE1 H -2.744 -4.520 -1.766 1.00 . A A . 53 HIS HE1 1 1 12 14225 1 1 53 HIS N N -7.954 -1.332 -0.209 1.00 . A A . 53 HIS N 1 1 12 14226 1 1 53 HIS ND1 N -4.618 -4.350 -0.777 1.00 . A A . 53 HIS ND1 1 1 12 14227 1 1 53 HIS NE2 N -3.958 -2.826 -2.253 1.00 . A A . 53 HIS NE2 1 1 12 14228 1 1 53 HIS O O -10.041 -4.087 -0.564 1.00 . A A . 53 HIS O 1 1 12 14229 1 1 54 LYS C C -12.176 -2.465 1.306 1.00 . A A . 54 LYS C 1 1 12 14230 1 1 54 LYS CA C -10.986 -3.209 1.924 1.00 . A A . 54 LYS CA 1 1 12 14231 1 1 54 LYS CB C -10.874 -2.981 3.429 1.00 . A A . 54 LYS CB 1 1 12 14232 1 1 54 LYS CD C -9.913 -3.981 5.538 1.00 . A A . 54 LYS CD 1 1 12 14233 1 1 54 LYS CE C -10.887 -5.009 6.137 1.00 . A A . 54 LYS CE 1 1 12 14234 1 1 54 LYS CG C -9.861 -3.974 4.010 1.00 . A A . 54 LYS CG 1 1 12 14235 1 1 54 LYS H H -9.201 -2.081 1.683 1.00 . A A . 54 LYS H 1 1 12 14236 1 1 54 LYS HA H -11.153 -4.277 1.803 1.00 . A A . 54 LYS HA 1 1 12 14237 1 1 54 LYS HB2 H -10.561 -1.955 3.630 1.00 . A A . 54 LYS HB2 1 1 12 14238 1 1 54 LYS HB3 H -11.856 -3.131 3.868 1.00 . A A . 54 LYS HB3 1 1 12 14239 1 1 54 LYS HD2 H -8.916 -4.243 5.887 1.00 . A A . 54 LYS HD2 1 1 12 14240 1 1 54 LYS HD3 H -10.136 -2.970 5.879 1.00 . A A . 54 LYS HD3 1 1 12 14241 1 1 54 LYS HE2 H -10.591 -6.012 5.823 1.00 . A A . 54 LYS HE2 1 1 12 14242 1 1 54 LYS HE3 H -10.808 -4.959 7.226 1.00 . A A . 54 LYS HE3 1 1 12 14243 1 1 54 LYS HG2 H -10.017 -4.983 3.625 1.00 . A A . 54 LYS HG2 1 1 12 14244 1 1 54 LYS HG3 H -8.867 -3.649 3.699 1.00 . A A . 54 LYS HG3 1 1 12 14245 1 1 54 LYS HZ1 H -12.895 -5.442 6.215 1.00 . A A . 54 LYS HZ1 1 1 12 14246 1 1 54 LYS HZ2 H -12.577 -3.840 6.019 1.00 . A A . 54 LYS HZ2 1 1 12 14247 1 1 54 LYS HZ3 H -12.401 -4.877 4.754 1.00 . A A . 54 LYS HZ3 1 1 12 14248 1 1 54 LYS N N -9.736 -2.832 1.274 1.00 . A A . 54 LYS N 1 1 12 14249 1 1 54 LYS NZ N -12.294 -4.775 5.753 1.00 . A A . 54 LYS NZ 1 1 12 14250 1 1 54 LYS O O -12.924 -1.784 2.004 1.00 . A A . 54 LYS O 1 1 12 14251 1 1 55 SER C C -13.127 -2.657 -2.256 1.00 . A A . 55 SER C 1 1 12 14252 1 1 55 SER CA C -13.378 -2.083 -0.863 1.00 . A A . 55 SER CA 1 1 12 14253 1 1 55 SER CB C -13.329 -0.546 -0.899 1.00 . A A . 55 SER CB 1 1 12 14254 1 1 55 SER H H -11.702 -3.288 -0.441 1.00 . A A . 55 SER H 1 1 12 14255 1 1 55 SER HA H -14.362 -2.407 -0.524 1.00 . A A . 55 SER HA 1 1 12 14256 1 1 55 SER HB2 H -12.298 -0.195 -0.980 1.00 . A A . 55 SER HB2 1 1 12 14257 1 1 55 SER HB3 H -13.885 -0.194 -1.770 1.00 . A A . 55 SER HB3 1 1 12 14258 1 1 55 SER HG H -13.540 -0.394 1.034 1.00 . A A . 55 SER HG 1 1 12 14259 1 1 55 SER N N -12.348 -2.642 -0.001 1.00 . A A . 55 SER N 1 1 12 14260 1 1 55 SER O O -14.018 -3.248 -2.858 1.00 . A A . 55 SER O 1 1 12 14261 1 1 55 SER OG O -13.934 0.011 0.249 1.00 . A A . 55 SER OG 1 1 12 14262 1 1 56 ASN C C -11.443 -4.563 -4.067 1.00 . A A . 56 ASN C 1 1 12 14263 1 1 56 ASN CA C -11.520 -3.034 -4.062 1.00 . A A . 56 ASN CA 1 1 12 14264 1 1 56 ASN CB C -10.178 -2.447 -4.515 1.00 . A A . 56 ASN CB 1 1 12 14265 1 1 56 ASN CG C -10.301 -0.989 -4.945 1.00 . A A . 56 ASN CG 1 1 12 14266 1 1 56 ASN H H -11.201 -1.999 -2.207 1.00 . A A . 56 ASN H 1 1 12 14267 1 1 56 ASN HA H -12.279 -2.742 -4.792 1.00 . A A . 56 ASN HA 1 1 12 14268 1 1 56 ASN HB2 H -9.432 -2.551 -3.727 1.00 . A A . 56 ASN HB2 1 1 12 14269 1 1 56 ASN HB3 H -9.834 -3.013 -5.383 1.00 . A A . 56 ASN HB3 1 1 12 14270 1 1 56 ASN HD21 H -9.952 -0.304 -3.055 1.00 . A A . 56 ASN HD21 1 1 12 14271 1 1 56 ASN HD22 H -10.207 0.917 -4.293 1.00 . A A . 56 ASN HD22 1 1 12 14272 1 1 56 ASN N N -11.893 -2.509 -2.751 1.00 . A A . 56 ASN N 1 1 12 14273 1 1 56 ASN ND2 N -10.129 -0.051 -4.021 1.00 . A A . 56 ASN ND2 1 1 12 14274 1 1 56 ASN O O -11.774 -5.190 -5.071 1.00 . A A . 56 ASN O 1 1 12 14275 1 1 56 ASN OD1 O -10.526 -0.701 -6.115 1.00 . A A . 56 ASN OD1 1 1 12 14276 1 1 57 ASN C C -11.290 -7.260 -1.737 1.00 . A A . 57 ASN C 1 1 12 14277 1 1 57 ASN CA C -10.578 -6.572 -2.905 1.00 . A A . 57 ASN CA 1 1 12 14278 1 1 57 ASN CB C -9.056 -6.667 -2.739 1.00 . A A . 57 ASN CB 1 1 12 14279 1 1 57 ASN CG C -8.598 -8.108 -2.548 1.00 . A A . 57 ASN CG 1 1 12 14280 1 1 57 ASN H H -10.753 -4.608 -2.156 1.00 . A A . 57 ASN H 1 1 12 14281 1 1 57 ASN HA H -10.859 -7.088 -3.825 1.00 . A A . 57 ASN HA 1 1 12 14282 1 1 57 ASN HB2 H -8.565 -6.242 -3.616 1.00 . A A . 57 ASN HB2 1 1 12 14283 1 1 57 ASN HB3 H -8.756 -6.093 -1.862 1.00 . A A . 57 ASN HB3 1 1 12 14284 1 1 57 ASN HD21 H -8.773 -8.512 -4.538 1.00 . A A . 57 ASN HD21 1 1 12 14285 1 1 57 ASN HD22 H -8.251 -9.841 -3.520 1.00 . A A . 57 ASN HD22 1 1 12 14286 1 1 57 ASN N N -10.945 -5.163 -2.981 1.00 . A A . 57 ASN N 1 1 12 14287 1 1 57 ASN ND2 N -8.564 -8.887 -3.624 1.00 . A A . 57 ASN ND2 1 1 12 14288 1 1 57 ASN O O -11.640 -6.617 -0.749 1.00 . A A . 57 ASN O 1 1 12 14289 1 1 57 ASN OD1 O -8.306 -8.528 -1.432 1.00 . A A . 57 ASN OD1 1 1 12 14290 1 1 58 GLY C C -10.917 -10.268 -0.158 1.00 . A A . 58 GLY C 1 1 12 14291 1 1 58 GLY CA C -12.028 -9.429 -0.801 1.00 . A A . 58 GLY CA 1 1 12 14292 1 1 58 GLY H H -11.158 -9.045 -2.683 1.00 . A A . 58 GLY H 1 1 12 14293 1 1 58 GLY HA2 H -12.589 -8.859 -0.060 1.00 . A A . 58 GLY HA2 1 1 12 14294 1 1 58 GLY HA3 H -12.731 -10.115 -1.275 1.00 . A A . 58 GLY HA3 1 1 12 14295 1 1 58 GLY N N -11.480 -8.578 -1.848 1.00 . A A . 58 GLY N 1 1 12 14296 1 1 58 GLY O O -10.651 -11.366 -0.642 1.00 . A A . 58 GLY O 1 1 12 14297 1 1 59 PRO C C -10.001 -11.709 2.425 1.00 . A A . 59 PRO C 1 1 12 14298 1 1 59 PRO CA C -9.293 -10.587 1.659 1.00 . A A . 59 PRO CA 1 1 12 14299 1 1 59 PRO CB C -8.593 -9.593 2.593 1.00 . A A . 59 PRO CB 1 1 12 14300 1 1 59 PRO CD C -10.397 -8.467 1.503 1.00 . A A . 59 PRO CD 1 1 12 14301 1 1 59 PRO CG C -9.673 -8.541 2.848 1.00 . A A . 59 PRO CG 1 1 12 14302 1 1 59 PRO HA H -8.554 -11.047 1.000 1.00 . A A . 59 PRO HA 1 1 12 14303 1 1 59 PRO HB2 H -8.230 -10.044 3.516 1.00 . A A . 59 PRO HB2 1 1 12 14304 1 1 59 PRO HB3 H -7.765 -9.128 2.054 1.00 . A A . 59 PRO HB3 1 1 12 14305 1 1 59 PRO HD2 H -11.435 -8.177 1.664 1.00 . A A . 59 PRO HD2 1 1 12 14306 1 1 59 PRO HD3 H -9.898 -7.741 0.862 1.00 . A A . 59 PRO HD3 1 1 12 14307 1 1 59 PRO HG2 H -10.361 -8.910 3.611 1.00 . A A . 59 PRO HG2 1 1 12 14308 1 1 59 PRO HG3 H -9.253 -7.581 3.145 1.00 . A A . 59 PRO HG3 1 1 12 14309 1 1 59 PRO N N -10.258 -9.790 0.912 1.00 . A A . 59 PRO N 1 1 12 14310 1 1 59 PRO O O -11.223 -11.844 2.382 1.00 . A A . 59 PRO O 1 1 12 14311 1 1 60 THR C C -8.872 -13.996 5.068 1.00 . A A . 60 THR C 1 1 12 14312 1 1 60 THR CA C -9.761 -13.687 3.863 1.00 . A A . 60 THR CA 1 1 12 14313 1 1 60 THR CB C -9.925 -14.891 2.917 1.00 . A A . 60 THR CB 1 1 12 14314 1 1 60 THR CG2 C -10.420 -16.147 3.639 1.00 . A A . 60 THR CG2 1 1 12 14315 1 1 60 THR H H -8.233 -12.388 3.128 1.00 . A A . 60 THR H 1 1 12 14316 1 1 60 THR HA H -10.746 -13.434 4.260 1.00 . A A . 60 THR HA 1 1 12 14317 1 1 60 THR HB H -8.966 -15.120 2.448 1.00 . A A . 60 THR HB 1 1 12 14318 1 1 60 THR HG1 H -11.182 -13.685 2.018 1.00 . A A . 60 THR HG1 1 1 12 14319 1 1 60 THR HG21 H -10.588 -16.939 2.908 1.00 . A A . 60 THR HG21 1 1 12 14320 1 1 60 THR HG22 H -9.684 -16.493 4.363 1.00 . A A . 60 THR HG22 1 1 12 14321 1 1 60 THR HG23 H -11.359 -15.936 4.153 1.00 . A A . 60 THR HG23 1 1 12 14322 1 1 60 THR N N -9.228 -12.548 3.121 1.00 . A A . 60 THR N 1 1 12 14323 1 1 60 THR O O -9.358 -14.028 6.195 1.00 . A A . 60 THR O 1 1 12 14324 1 1 60 THR OG1 O -10.851 -14.585 1.895 1.00 . A A . 60 THR OG1 1 1 12 14325 1 1 61 LYS C C -5.218 -14.137 5.533 1.00 . A A . 61 LYS C 1 1 12 14326 1 1 61 LYS CA C -6.643 -14.554 5.922 1.00 . A A . 61 LYS CA 1 1 12 14327 1 1 61 LYS CB C -6.789 -16.031 6.333 1.00 . A A . 61 LYS CB 1 1 12 14328 1 1 61 LYS CD C -5.242 -17.878 5.600 1.00 . A A . 61 LYS CD 1 1 12 14329 1 1 61 LYS CE C -4.665 -18.651 4.407 1.00 . A A . 61 LYS CE 1 1 12 14330 1 1 61 LYS CG C -6.475 -17.044 5.220 1.00 . A A . 61 LYS CG 1 1 12 14331 1 1 61 LYS H H -7.209 -14.124 3.906 1.00 . A A . 61 LYS H 1 1 12 14332 1 1 61 LYS HA H -6.913 -13.972 6.806 1.00 . A A . 61 LYS HA 1 1 12 14333 1 1 61 LYS HB2 H -6.149 -16.211 7.199 1.00 . A A . 61 LYS HB2 1 1 12 14334 1 1 61 LYS HB3 H -7.817 -16.194 6.661 1.00 . A A . 61 LYS HB3 1 1 12 14335 1 1 61 LYS HD2 H -4.461 -17.238 6.015 1.00 . A A . 61 LYS HD2 1 1 12 14336 1 1 61 LYS HD3 H -5.535 -18.588 6.379 1.00 . A A . 61 LYS HD3 1 1 12 14337 1 1 61 LYS HE2 H -3.910 -19.346 4.782 1.00 . A A . 61 LYS HE2 1 1 12 14338 1 1 61 LYS HE3 H -5.457 -19.234 3.929 1.00 . A A . 61 LYS HE3 1 1 12 14339 1 1 61 LYS HG2 H -7.330 -17.713 5.099 1.00 . A A . 61 LYS HG2 1 1 12 14340 1 1 61 LYS HG3 H -6.331 -16.515 4.280 1.00 . A A . 61 LYS HG3 1 1 12 14341 1 1 61 LYS HZ1 H -3.334 -17.169 3.883 1.00 . A A . 61 LYS HZ1 1 1 12 14342 1 1 61 LYS HZ2 H -3.586 -18.284 2.695 1.00 . A A . 61 LYS HZ2 1 1 12 14343 1 1 61 LYS HZ3 H -4.717 -17.133 3.013 1.00 . A A . 61 LYS HZ3 1 1 12 14344 1 1 61 LYS N N -7.572 -14.219 4.845 1.00 . A A . 61 LYS N 1 1 12 14345 1 1 61 LYS NZ N -4.029 -17.745 3.426 1.00 . A A . 61 LYS NZ 1 1 12 14346 1 1 61 LYS O O -4.470 -14.917 4.938 1.00 . A A . 61 LYS O 1 1 12 14347 1 1 62 CYS C C -3.304 -12.450 4.027 1.00 . A A . 62 CYS C 1 1 12 14348 1 1 62 CYS CA C -3.666 -12.180 5.491 1.00 . A A . 62 CYS CA 1 1 12 14349 1 1 62 CYS CB C -2.565 -12.472 6.489 1.00 . A A . 62 CYS CB 1 1 12 14350 1 1 62 CYS H H -5.565 -12.341 6.367 1.00 . A A . 62 CYS H 1 1 12 14351 1 1 62 CYS HA H -3.904 -11.122 5.539 1.00 . A A . 62 CYS HA 1 1 12 14352 1 1 62 CYS HB2 H -2.216 -13.494 6.344 1.00 . A A . 62 CYS HB2 1 1 12 14353 1 1 62 CYS HB3 H -1.732 -11.785 6.337 1.00 . A A . 62 CYS HB3 1 1 12 14354 1 1 62 CYS N N -4.891 -12.881 5.853 1.00 . A A . 62 CYS N 1 1 12 14355 1 1 62 CYS O O -4.188 -12.421 3.171 1.00 . A A . 62 CYS O 1 1 12 14356 1 1 62 CYS SG S -3.132 -12.336 8.212 1.00 . A A . 62 CYS SG 1 1 12 14357 1 1 63 GLY C C -1.531 -12.168 1.317 1.00 . A A . 63 GLY C 1 1 12 14358 1 1 63 GLY CA C -1.586 -13.215 2.430 1.00 . A A . 63 GLY CA 1 1 12 14359 1 1 63 GLY H H -1.343 -12.613 4.453 1.00 . A A . 63 GLY H 1 1 12 14360 1 1 63 GLY HA2 H -0.589 -13.636 2.556 1.00 . A A . 63 GLY HA2 1 1 12 14361 1 1 63 GLY HA3 H -2.257 -14.017 2.122 1.00 . A A . 63 GLY HA3 1 1 12 14362 1 1 63 GLY N N -2.027 -12.679 3.717 1.00 . A A . 63 GLY N 1 1 12 14363 1 1 63 GLY O O -0.607 -12.163 0.511 1.00 . A A . 63 GLY O 1 1 12 14364 1 1 64 GLY C C -1.451 -9.483 -0.128 1.00 . A A . 64 GLY C 1 1 12 14365 1 1 64 GLY CA C -2.710 -10.282 0.220 1.00 . A A . 64 GLY CA 1 1 12 14366 1 1 64 GLY H H -3.288 -11.418 1.919 1.00 . A A . 64 GLY H 1 1 12 14367 1 1 64 GLY HA2 H -3.087 -10.773 -0.677 1.00 . A A . 64 GLY HA2 1 1 12 14368 1 1 64 GLY HA3 H -3.461 -9.578 0.580 1.00 . A A . 64 GLY HA3 1 1 12 14369 1 1 64 GLY N N -2.526 -11.278 1.266 1.00 . A A . 64 GLY N 1 1 12 14370 1 1 64 GLY O O -1.287 -9.063 -1.271 1.00 . A A . 64 GLY O 1 1 12 14371 1 1 65 CYS C C 1.783 -8.913 1.305 1.00 . A A . 65 CYS C 1 1 12 14372 1 1 65 CYS CA C 0.501 -8.272 0.772 1.00 . A A . 65 CYS CA 1 1 12 14373 1 1 65 CYS CB C 0.147 -7.024 1.537 1.00 . A A . 65 CYS CB 1 1 12 14374 1 1 65 CYS H H -0.790 -9.647 1.762 1.00 . A A . 65 CYS H 1 1 12 14375 1 1 65 CYS HA H 0.675 -7.997 -0.269 1.00 . A A . 65 CYS HA 1 1 12 14376 1 1 65 CYS HB2 H 0.234 -7.248 2.596 1.00 . A A . 65 CYS HB2 1 1 12 14377 1 1 65 CYS HB3 H 0.834 -6.222 1.295 1.00 . A A . 65 CYS HB3 1 1 12 14378 1 1 65 CYS N N -0.605 -9.219 0.871 1.00 . A A . 65 CYS N 1 1 12 14379 1 1 65 CYS O O 2.794 -8.961 0.610 1.00 . A A . 65 CYS O 1 1 12 14380 1 1 65 CYS SG S -1.538 -6.456 1.148 1.00 . A A . 65 CYS SG 1 1 12 14381 1 1 66 HIS C C 2.893 -11.522 2.332 1.00 . A A . 66 HIS C 1 1 12 14382 1 1 66 HIS CA C 2.852 -10.199 3.080 1.00 . A A . 66 HIS CA 1 1 12 14383 1 1 66 HIS CB C 2.660 -10.483 4.576 1.00 . A A . 66 HIS CB 1 1 12 14384 1 1 66 HIS CD2 C 1.425 -8.795 6.044 1.00 . A A . 66 HIS CD2 1 1 12 14385 1 1 66 HIS CE1 C 3.061 -7.435 6.517 1.00 . A A . 66 HIS CE1 1 1 12 14386 1 1 66 HIS CG C 2.556 -9.258 5.434 1.00 . A A . 66 HIS CG 1 1 12 14387 1 1 66 HIS H H 0.901 -9.346 3.083 1.00 . A A . 66 HIS H 1 1 12 14388 1 1 66 HIS HA H 3.789 -9.660 2.934 1.00 . A A . 66 HIS HA 1 1 12 14389 1 1 66 HIS HB2 H 1.777 -11.107 4.716 1.00 . A A . 66 HIS HB2 1 1 12 14390 1 1 66 HIS HB3 H 3.523 -11.057 4.917 1.00 . A A . 66 HIS HB3 1 1 12 14391 1 1 66 HIS HD1 H 4.509 -8.404 5.300 1.00 . A A . 66 HIS HD1 1 1 12 14392 1 1 66 HIS HD2 H 0.447 -9.225 6.012 1.00 . A A . 66 HIS HD2 1 1 12 14393 1 1 66 HIS HE1 H 3.612 -6.590 6.893 1.00 . A A . 66 HIS HE1 1 1 12 14394 1 1 66 HIS N N 1.748 -9.417 2.545 1.00 . A A . 66 HIS N 1 1 12 14395 1 1 66 HIS ND1 N 3.584 -8.403 5.735 1.00 . A A . 66 HIS ND1 1 1 12 14396 1 1 66 HIS NE2 N 1.741 -7.618 6.715 1.00 . A A . 66 HIS NE2 1 1 12 14397 1 1 66 HIS O O 1.905 -12.251 2.365 1.00 . A A . 66 HIS O 1 1 12 14398 1 1 67 ILE C C 4.350 -14.265 1.931 1.00 . A A . 67 ILE C 1 1 12 14399 1 1 67 ILE CA C 4.151 -13.096 0.953 1.00 . A A . 67 ILE CA 1 1 12 14400 1 1 67 ILE CB C 5.275 -12.952 -0.097 1.00 . A A . 67 ILE CB 1 1 12 14401 1 1 67 ILE CD1 C 3.807 -11.465 -1.628 1.00 . A A . 67 ILE CD1 1 1 12 14402 1 1 67 ILE CG1 C 5.156 -11.652 -0.921 1.00 . A A . 67 ILE CG1 1 1 12 14403 1 1 67 ILE CG2 C 5.312 -14.161 -1.045 1.00 . A A . 67 ILE CG2 1 1 12 14404 1 1 67 ILE H H 4.798 -11.206 1.699 1.00 . A A . 67 ILE H 1 1 12 14405 1 1 67 ILE HA H 3.221 -13.284 0.413 1.00 . A A . 67 ILE HA 1 1 12 14406 1 1 67 ILE HB H 6.233 -12.905 0.423 1.00 . A A . 67 ILE HB 1 1 12 14407 1 1 67 ILE HD11 H 2.997 -11.392 -0.903 1.00 . A A . 67 ILE HD11 1 1 12 14408 1 1 67 ILE HD12 H 3.835 -10.539 -2.203 1.00 . A A . 67 ILE HD12 1 1 12 14409 1 1 67 ILE HD13 H 3.612 -12.291 -2.310 1.00 . A A . 67 ILE HD13 1 1 12 14410 1 1 67 ILE HG12 H 5.326 -10.787 -0.279 1.00 . A A . 67 ILE HG12 1 1 12 14411 1 1 67 ILE HG13 H 5.941 -11.646 -1.679 1.00 . A A . 67 ILE HG13 1 1 12 14412 1 1 67 ILE HG21 H 4.339 -14.315 -1.512 1.00 . A A . 67 ILE HG21 1 1 12 14413 1 1 67 ILE HG22 H 6.059 -13.998 -1.823 1.00 . A A . 67 ILE HG22 1 1 12 14414 1 1 67 ILE HG23 H 5.583 -15.067 -0.504 1.00 . A A . 67 ILE HG23 1 1 12 14415 1 1 67 ILE N N 4.019 -11.854 1.702 1.00 . A A . 67 ILE N 1 1 12 14416 1 1 67 ILE O O 5.425 -14.860 1.990 1.00 . A A . 67 ILE O 1 1 12 14417 1 1 68 LYS C C 1.829 -15.818 4.167 1.00 . A A . 68 LYS C 1 1 12 14418 1 1 68 LYS CA C 3.255 -15.710 3.632 1.00 . A A . 68 LYS CA 1 1 12 14419 1 1 68 LYS CB C 4.237 -15.525 4.802 1.00 . A A . 68 LYS CB 1 1 12 14420 1 1 68 LYS CD C 3.781 -14.364 7.064 1.00 . A A . 68 LYS CD 1 1 12 14421 1 1 68 LYS CE C 2.358 -14.811 7.445 1.00 . A A . 68 LYS CE 1 1 12 14422 1 1 68 LYS CG C 4.010 -14.202 5.553 1.00 . A A . 68 LYS CG 1 1 12 14423 1 1 68 LYS H H 2.453 -14.041 2.664 1.00 . A A . 68 LYS H 1 1 12 14424 1 1 68 LYS HA H 3.500 -16.631 3.098 1.00 . A A . 68 LYS HA 1 1 12 14425 1 1 68 LYS HB2 H 4.144 -16.372 5.480 1.00 . A A . 68 LYS HB2 1 1 12 14426 1 1 68 LYS HB3 H 5.259 -15.540 4.422 1.00 . A A . 68 LYS HB3 1 1 12 14427 1 1 68 LYS HD2 H 4.545 -15.017 7.492 1.00 . A A . 68 LYS HD2 1 1 12 14428 1 1 68 LYS HD3 H 3.926 -13.375 7.500 1.00 . A A . 68 LYS HD3 1 1 12 14429 1 1 68 LYS HE2 H 2.196 -14.575 8.498 1.00 . A A . 68 LYS HE2 1 1 12 14430 1 1 68 LYS HE3 H 1.629 -14.251 6.853 1.00 . A A . 68 LYS HE3 1 1 12 14431 1 1 68 LYS HG2 H 4.910 -13.604 5.408 1.00 . A A . 68 LYS HG2 1 1 12 14432 1 1 68 LYS HG3 H 3.181 -13.641 5.120 1.00 . A A . 68 LYS HG3 1 1 12 14433 1 1 68 LYS HZ1 H 2.143 -16.495 6.270 1.00 . A A . 68 LYS HZ1 1 1 12 14434 1 1 68 LYS HZ2 H 2.802 -16.818 7.743 1.00 . A A . 68 LYS HZ2 1 1 12 14435 1 1 68 LYS HZ3 H 1.190 -16.499 7.563 1.00 . A A . 68 LYS HZ3 1 1 12 14436 1 1 68 LYS N N 3.312 -14.590 2.708 1.00 . A A . 68 LYS N 1 1 12 14437 1 1 68 LYS NZ N 2.120 -16.256 7.259 1.00 . A A . 68 LYS NZ 1 1 12 14438 1 1 68 LYS O O 1.530 -16.859 4.794 1.00 . A A . 68 LYS O 1 1 12 14439 1 1 68 LYS OXT O 1.102 -14.805 4.087 1.00 . A A . 68 LYS OXT 1 1 12 14440 2 2 1 HEC C1A C 7.396 8.195 -3.805 1.00 . B A . 69 HEC C1A 1 1 12 14441 2 2 1 HEC C1B C 4.903 9.467 -7.024 1.00 . B A . 69 HEC C1B 1 1 12 14442 2 2 1 HEC C1C C 1.965 6.596 -5.840 1.00 . B A . 69 HEC C1C 1 1 12 14443 2 2 1 HEC C1D C 4.195 5.834 -2.291 1.00 . B A . 69 HEC C1D 1 1 12 14444 2 2 1 HEC C2A C 8.537 9.005 -4.173 1.00 . B A . 69 HEC C2A 1 1 12 14445 2 2 1 HEC C2B C 4.223 9.933 -8.207 1.00 . B A . 69 HEC C2B 1 1 12 14446 2 2 1 HEC C2C C 0.796 5.833 -5.468 1.00 . B A . 69 HEC C2C 1 1 12 14447 2 2 1 HEC C2D C 4.915 5.321 -1.148 1.00 . B A . 69 HEC C2D 1 1 12 14448 2 2 1 HEC C3A C 8.130 9.820 -5.196 1.00 . B A . 69 HEC C3A 1 1 12 14449 2 2 1 HEC C3B C 3.094 9.161 -8.359 1.00 . B A . 69 HEC C3B 1 1 12 14450 2 2 1 HEC C3C C 0.979 5.398 -4.173 1.00 . B A . 69 HEC C3C 1 1 12 14451 2 2 1 HEC C3D C 6.201 5.795 -1.233 1.00 . B A . 69 HEC C3D 1 1 12 14452 2 2 1 HEC C4A C 6.788 9.425 -5.543 1.00 . B A . 69 HEC C4A 1 1 12 14453 2 2 1 HEC C4B C 3.100 8.182 -7.288 1.00 . B A . 69 HEC C4B 1 1 12 14454 2 2 1 HEC C4C C 2.308 5.826 -3.783 1.00 . B A . 69 HEC C4C 1 1 12 14455 2 2 1 HEC C4D C 6.255 6.644 -2.394 1.00 . B A . 69 HEC C4D 1 1 12 14456 2 2 1 HEC CAA C 9.925 8.987 -3.572 1.00 . B A . 69 HEC CAA 1 1 12 14457 2 2 1 HEC CAB C 1.892 9.544 -9.197 1.00 . B A . 69 HEC CAB 1 1 12 14458 2 2 1 HEC CAC C -0.056 4.726 -3.275 1.00 . B A . 69 HEC CAC 1 1 12 14459 2 2 1 HEC CAD C 7.337 5.509 -0.273 1.00 . B A . 69 HEC CAD 1 1 12 14460 2 2 1 HEC CBA C 10.978 8.272 -4.427 1.00 . B A . 69 HEC CBA 1 1 12 14461 2 2 1 HEC CBB C 2.173 9.885 -10.666 1.00 . B A . 69 HEC CBB 1 1 12 14462 2 2 1 HEC CBC C -0.436 3.298 -3.682 1.00 . B A . 69 HEC CBC 1 1 12 14463 2 2 1 HEC CBD C 8.271 4.363 -0.685 1.00 . B A . 69 HEC CBD 1 1 12 14464 2 2 1 HEC CGA C 12.375 8.429 -3.813 1.00 . B A . 69 HEC CGA 1 1 12 14465 2 2 1 HEC CGD C 9.506 4.849 -1.448 1.00 . B A . 69 HEC CGD 1 1 12 14466 2 2 1 HEC CHA C 7.374 7.338 -2.736 1.00 . B A . 69 HEC CHA 1 1 12 14467 2 2 1 HEC CHB C 6.102 9.979 -6.586 1.00 . B A . 69 HEC CHB 1 1 12 14468 2 2 1 HEC CHC C 2.071 7.284 -7.034 1.00 . B A . 69 HEC CHC 1 1 12 14469 2 2 1 HEC CHD C 2.898 5.489 -2.581 1.00 . B A . 69 HEC CHD 1 1 12 14470 2 2 1 HEC CMA C 8.956 10.889 -5.875 1.00 . B A . 69 HEC CMA 1 1 12 14471 2 2 1 HEC CMB C 4.642 11.079 -9.106 1.00 . B A . 69 HEC CMB 1 1 12 14472 2 2 1 HEC CMC C -0.442 5.671 -6.318 1.00 . B A . 69 HEC CMC 1 1 12 14473 2 2 1 HEC CMD C 4.386 4.344 -0.127 1.00 . B A . 69 HEC CMD 1 1 12 14474 2 2 1 HEC FE FE 4.587 7.533 -4.783 1.00 . B A . 69 HEC FE 1 1 12 14475 2 2 1 HEC HAA1 H 10.256 10.010 -3.383 1.00 . B A . 69 HEC HAA1 1 1 12 14476 2 2 1 HEC HAA2 H 9.914 8.456 -2.635 1.00 . B A . 69 HEC HAA2 1 1 12 14477 2 2 1 HEC HAB H 1.197 8.711 -9.223 1.00 . B A . 69 HEC HAB 1 1 12 14478 2 2 1 HEC HAC H 0.314 4.654 -2.257 1.00 . B A . 69 HEC HAC 1 1 12 14479 2 2 1 HEC HAD1 H 7.949 6.383 -0.122 1.00 . B A . 69 HEC HAD1 1 1 12 14480 2 2 1 HEC HAD2 H 6.909 5.282 0.686 1.00 . B A . 69 HEC HAD2 1 1 12 14481 2 2 1 HEC HBA1 H 10.716 7.215 -4.481 1.00 . B A . 69 HEC HBA1 1 1 12 14482 2 2 1 HEC HBA2 H 10.970 8.680 -5.439 1.00 . B A . 69 HEC HBA2 1 1 12 14483 2 2 1 HEC HBB1 H 2.835 9.137 -11.102 1.00 . B A . 69 HEC HBB1 1 1 12 14484 2 2 1 HEC HBB2 H 1.240 9.881 -11.227 1.00 . B A . 69 HEC HBB2 1 1 12 14485 2 2 1 HEC HBB3 H 2.612 10.874 -10.774 1.00 . B A . 69 HEC HBB3 1 1 12 14486 2 2 1 HEC HBC1 H 0.459 2.712 -3.890 1.00 . B A . 69 HEC HBC1 1 1 12 14487 2 2 1 HEC HBC2 H -0.989 2.819 -2.875 1.00 . B A . 69 HEC HBC2 1 1 12 14488 2 2 1 HEC HBC3 H -1.072 3.308 -4.562 1.00 . B A . 69 HEC HBC3 1 1 12 14489 2 2 1 HEC HBD1 H 8.604 3.848 0.217 1.00 . B A . 69 HEC HBD1 1 1 12 14490 2 2 1 HEC HBD2 H 7.716 3.662 -1.305 1.00 . B A . 69 HEC HBD2 1 1 12 14491 2 2 1 HEC HHA H 8.228 7.229 -2.096 1.00 . B A . 69 HEC HHA 1 1 12 14492 2 2 1 HEC HHB H 6.568 10.789 -7.105 1.00 . B A . 69 HEC HHB 1 1 12 14493 2 2 1 HEC HHC H 1.265 7.185 -7.734 1.00 . B A . 69 HEC HHC 1 1 12 14494 2 2 1 HEC HHD H 2.361 4.865 -1.891 1.00 . B A . 69 HEC HHD 1 1 12 14495 2 2 1 HEC HMA1 H 8.948 10.734 -6.953 1.00 . B A . 69 HEC HMA1 1 1 12 14496 2 2 1 HEC HMA2 H 8.541 11.867 -5.632 1.00 . B A . 69 HEC HMA2 1 1 12 14497 2 2 1 HEC HMA3 H 9.989 10.852 -5.532 1.00 . B A . 69 HEC HMA3 1 1 12 14498 2 2 1 HEC HMB1 H 3.830 11.805 -9.143 1.00 . B A . 69 HEC HMB1 1 1 12 14499 2 2 1 HEC HMB2 H 5.524 11.600 -8.747 1.00 . B A . 69 HEC HMB2 1 1 12 14500 2 2 1 HEC HMB3 H 4.848 10.697 -10.104 1.00 . B A . 69 HEC HMB3 1 1 12 14501 2 2 1 HEC HMC1 H -1.238 5.170 -5.777 1.00 . B A . 69 HEC HMC1 1 1 12 14502 2 2 1 HEC HMC2 H -0.803 6.652 -6.627 1.00 . B A . 69 HEC HMC2 1 1 12 14503 2 2 1 HEC HMC3 H -0.182 5.077 -7.188 1.00 . B A . 69 HEC HMC3 1 1 12 14504 2 2 1 HEC HMD1 H 3.759 3.611 -0.628 1.00 . B A . 69 HEC HMD1 1 1 12 14505 2 2 1 HEC HMD2 H 5.204 3.814 0.358 1.00 . B A . 69 HEC HMD2 1 1 12 14506 2 2 1 HEC HMD3 H 3.792 4.861 0.624 1.00 . B A . 69 HEC HMD3 1 1 12 14507 2 2 1 HEC NA N 6.386 8.455 -4.692 1.00 . B A . 69 HEC NA 1 1 12 14508 2 2 1 HEC NB N 4.186 8.436 -6.501 1.00 . B A . 69 HEC NB 1 1 12 14509 2 2 1 HEC NC N 2.838 6.568 -4.806 1.00 . B A . 69 HEC NC 1 1 12 14510 2 2 1 HEC ND N 5.046 6.618 -3.008 1.00 . B A . 69 HEC ND 1 1 12 14511 2 2 1 HEC O1A O 13.116 9.313 -4.293 1.00 . B A . 69 HEC O1A 1 1 12 14512 2 2 1 HEC O1D O 10.449 5.330 -0.776 1.00 . B A . 69 HEC O1D 1 1 12 14513 2 2 1 HEC O2A O 12.665 7.706 -2.829 1.00 . B A . 69 HEC O2A 1 1 12 14514 2 2 1 HEC O2D O 9.469 4.773 -2.698 1.00 . B A . 69 HEC O2D 1 1 12 14515 3 2 1 HEC C1A C -2.237 -4.519 -4.968 1.00 . C A . 70 HEC C1A 1 1 12 14516 3 2 1 HEC C1B C -0.568 -2.450 -1.620 1.00 . C A . 70 HEC C1B 1 1 12 14517 3 2 1 HEC C1C C -3.373 0.748 -2.172 1.00 . C A . 70 HEC C1C 1 1 12 14518 3 2 1 HEC C1D C -5.186 -1.434 -5.344 1.00 . C A . 70 HEC C1D 1 1 12 14519 3 2 1 HEC C2A C -1.390 -5.687 -4.877 1.00 . C A . 70 HEC C2A 1 1 12 14520 3 2 1 HEC C2B C 0.021 -1.929 -0.414 1.00 . C A . 70 HEC C2B 1 1 12 14521 3 2 1 HEC C2C C -4.218 1.915 -2.271 1.00 . C A . 70 HEC C2C 1 1 12 14522 3 2 1 HEC C2D C -5.940 -2.061 -6.403 1.00 . C A . 70 HEC C2D 1 1 12 14523 3 2 1 HEC C3A C -0.493 -5.466 -3.859 1.00 . C A . 70 HEC C3A 1 1 12 14524 3 2 1 HEC C3B C -0.593 -0.729 -0.141 1.00 . C A . 70 HEC C3B 1 1 12 14525 3 2 1 HEC C3C C -5.190 1.637 -3.205 1.00 . C A . 70 HEC C3C 1 1 12 14526 3 2 1 HEC C3D C -5.220 -3.159 -6.817 1.00 . C A . 70 HEC C3D 1 1 12 14527 3 2 1 HEC C4A C -0.812 -4.186 -3.278 1.00 . C A . 70 HEC C4A 1 1 12 14528 3 2 1 HEC C4B C -1.559 -0.501 -1.195 1.00 . C A . 70 HEC C4B 1 1 12 14529 3 2 1 HEC C4C C -4.828 0.365 -3.795 1.00 . C A . 70 HEC C4C 1 1 12 14530 3 2 1 HEC C4D C -4.141 -3.325 -5.865 1.00 . C A . 70 HEC C4D 1 1 12 14531 3 2 1 HEC CAA C -1.546 -6.981 -5.644 1.00 . C A . 70 HEC CAA 1 1 12 14532 3 2 1 HEC CAB C -0.391 0.130 1.098 1.00 . C A . 70 HEC CAB 1 1 12 14533 3 2 1 HEC CAC C -6.522 2.368 -3.393 1.00 . C A . 70 HEC CAC 1 1 12 14534 3 2 1 HEC CAD C -5.409 -3.956 -8.104 1.00 . C A . 70 HEC CAD 1 1 12 14535 3 2 1 HEC CBA C -0.744 -7.037 -6.946 1.00 . C A . 70 HEC CBA 1 1 12 14536 3 2 1 HEC CBB C 0.992 0.783 1.173 1.00 . C A . 70 HEC CBB 1 1 12 14537 3 2 1 HEC CBC C -6.494 3.538 -4.366 1.00 . C A . 70 HEC CBC 1 1 12 14538 3 2 1 HEC CBD C -6.220 -3.244 -9.206 1.00 . C A . 70 HEC CBD 1 1 12 14539 3 2 1 HEC CGA C -0.932 -8.389 -7.641 1.00 . C A . 70 HEC CGA 1 1 12 14540 3 2 1 HEC CGD C -5.962 -3.723 -10.638 1.00 . C A . 70 HEC CGD 1 1 12 14541 3 2 1 HEC CHA C -3.259 -4.386 -5.886 1.00 . C A . 70 HEC CHA 1 1 12 14542 3 2 1 HEC CHB C -0.199 -3.668 -2.155 1.00 . C A . 70 HEC CHB 1 1 12 14543 3 2 1 HEC CHC C -2.372 0.615 -1.242 1.00 . C A . 70 HEC CHC 1 1 12 14544 3 2 1 HEC CHD C -5.547 -0.229 -4.795 1.00 . C A . 70 HEC CHD 1 1 12 14545 3 2 1 HEC CMA C 0.567 -6.433 -3.387 1.00 . C A . 70 HEC CMA 1 1 12 14546 3 2 1 HEC CMB C 1.022 -2.664 0.445 1.00 . C A . 70 HEC CMB 1 1 12 14547 3 2 1 HEC CMC C -4.043 3.207 -1.505 1.00 . C A . 70 HEC CMC 1 1 12 14548 3 2 1 HEC CMD C -7.296 -1.609 -6.900 1.00 . C A . 70 HEC CMD 1 1 12 14549 3 2 1 HEC FE FE -2.772 -1.900 -3.552 1.00 . C A . 70 HEC FE 1 1 12 14550 3 2 1 HEC HAA1 H -1.229 -7.816 -5.017 1.00 . C A . 70 HEC HAA1 1 1 12 14551 3 2 1 HEC HAA2 H -2.596 -7.151 -5.880 1.00 . C A . 70 HEC HAA2 1 1 12 14552 3 2 1 HEC HAB H -1.092 0.955 1.109 1.00 . C A . 70 HEC HAB 1 1 12 14553 3 2 1 HEC HAC H -7.263 1.667 -3.774 1.00 . C A . 70 HEC HAC 1 1 12 14554 3 2 1 HEC HAD1 H -4.413 -4.138 -8.512 1.00 . C A . 70 HEC HAD1 1 1 12 14555 3 2 1 HEC HAD2 H -5.870 -4.919 -7.888 1.00 . C A . 70 HEC HAD2 1 1 12 14556 3 2 1 HEC HBA1 H -1.081 -6.237 -7.607 1.00 . C A . 70 HEC HBA1 1 1 12 14557 3 2 1 HEC HBA2 H 0.312 -6.877 -6.717 1.00 . C A . 70 HEC HBA2 1 1 12 14558 3 2 1 HEC HBB1 H 1.707 0.133 1.669 1.00 . C A . 70 HEC HBB1 1 1 12 14559 3 2 1 HEC HBB2 H 1.345 1.021 0.170 1.00 . C A . 70 HEC HBB2 1 1 12 14560 3 2 1 HEC HBB3 H 0.924 1.714 1.731 1.00 . C A . 70 HEC HBB3 1 1 12 14561 3 2 1 HEC HBC1 H -5.671 4.203 -4.116 1.00 . C A . 70 HEC HBC1 1 1 12 14562 3 2 1 HEC HBC2 H -6.382 3.147 -5.374 1.00 . C A . 70 HEC HBC2 1 1 12 14563 3 2 1 HEC HBC3 H -7.432 4.091 -4.316 1.00 . C A . 70 HEC HBC3 1 1 12 14564 3 2 1 HEC HBD1 H -7.284 -3.349 -9.005 1.00 . C A . 70 HEC HBD1 1 1 12 14565 3 2 1 HEC HBD2 H -5.951 -2.188 -9.203 1.00 . C A . 70 HEC HBD2 1 1 12 14566 3 2 1 HEC HHA H -3.393 -5.159 -6.624 1.00 . C A . 70 HEC HHA 1 1 12 14567 3 2 1 HEC HHB H 0.557 -4.243 -1.643 1.00 . C A . 70 HEC HHB 1 1 12 14568 3 2 1 HEC HHC H -2.265 1.380 -0.488 1.00 . C A . 70 HEC HHC 1 1 12 14569 3 2 1 HEC HHD H -6.383 0.301 -5.208 1.00 . C A . 70 HEC HHD 1 1 12 14570 3 2 1 HEC HMA1 H 1.452 -5.893 -3.057 1.00 . C A . 70 HEC HMA1 1 1 12 14571 3 2 1 HEC HMA2 H 0.170 -7.029 -2.566 1.00 . C A . 70 HEC HMA2 1 1 12 14572 3 2 1 HEC HMA3 H 0.855 -7.096 -4.203 1.00 . C A . 70 HEC HMA3 1 1 12 14573 3 2 1 HEC HMB1 H 1.383 -2.035 1.251 1.00 . C A . 70 HEC HMB1 1 1 12 14574 3 2 1 HEC HMB2 H 0.528 -3.537 0.871 1.00 . C A . 70 HEC HMB2 1 1 12 14575 3 2 1 HEC HMB3 H 1.865 -2.987 -0.160 1.00 . C A . 70 HEC HMB3 1 1 12 14576 3 2 1 HEC HMC1 H -4.476 3.105 -0.512 1.00 . C A . 70 HEC HMC1 1 1 12 14577 3 2 1 HEC HMC2 H -2.987 3.458 -1.419 1.00 . C A . 70 HEC HMC2 1 1 12 14578 3 2 1 HEC HMC3 H -4.542 4.024 -2.024 1.00 . C A . 70 HEC HMC3 1 1 12 14579 3 2 1 HEC HMD1 H -7.910 -2.476 -7.137 1.00 . C A . 70 HEC HMD1 1 1 12 14580 3 2 1 HEC HMD2 H -7.817 -1.051 -6.127 1.00 . C A . 70 HEC HMD2 1 1 12 14581 3 2 1 HEC HMD3 H -7.188 -0.972 -7.777 1.00 . C A . 70 HEC HMD3 1 1 12 14582 3 2 1 HEC NA N -1.864 -3.658 -3.968 1.00 . C A . 70 HEC NA 1 1 12 14583 3 2 1 HEC NB N -1.523 -1.577 -2.044 1.00 . C A . 70 HEC NB 1 1 12 14584 3 2 1 HEC NC N -3.742 -0.130 -3.138 1.00 . C A . 70 HEC NC 1 1 12 14585 3 2 1 HEC ND N -4.149 -2.250 -5.018 1.00 . C A . 70 HEC ND 1 1 12 14586 3 2 1 HEC O1A O -2.107 -8.723 -7.917 1.00 . C A . 70 HEC O1A 1 1 12 14587 3 2 1 HEC O1D O -4.983 -4.461 -10.890 1.00 . C A . 70 HEC O1D 1 1 12 14588 3 2 1 HEC O2A O 0.088 -9.080 -7.854 1.00 . C A . 70 HEC O2A 1 1 12 14589 3 2 1 HEC O2D O -6.620 -3.199 -11.568 1.00 . C A . 70 HEC O2D 1 1 12 14590 4 2 1 HEC C1A C 2.594 -5.534 9.541 1.00 . D A . 71 HEC C1A 1 1 12 14591 4 2 1 HEC C1B C -0.350 -8.661 9.556 1.00 . D A . 71 HEC C1B 1 1 12 14592 4 2 1 HEC C1C C -1.625 -7.498 5.655 1.00 . D A . 71 HEC C1C 1 1 12 14593 4 2 1 HEC C1D C 1.313 -4.394 5.621 1.00 . D A . 71 HEC C1D 1 1 12 14594 4 2 1 HEC C2A C 3.177 -5.850 10.823 1.00 . D A . 71 HEC C2A 1 1 12 14595 4 2 1 HEC C2B C -1.257 -9.777 9.698 1.00 . D A . 71 HEC C2B 1 1 12 14596 4 2 1 HEC C2C C -2.157 -7.244 4.341 1.00 . D A . 71 HEC C2C 1 1 12 14597 4 2 1 HEC C2D C 2.350 -3.410 5.400 1.00 . D A . 71 HEC C2D 1 1 12 14598 4 2 1 HEC C3A C 2.399 -6.832 11.382 1.00 . D A . 71 HEC C3A 1 1 12 14599 4 2 1 HEC C3B C -2.068 -9.792 8.587 1.00 . D A . 71 HEC C3B 1 1 12 14600 4 2 1 HEC C3C C -1.574 -6.081 3.888 1.00 . D A . 71 HEC C3C 1 1 12 14601 4 2 1 HEC C3D C 3.153 -3.409 6.514 1.00 . D A . 71 HEC C3D 1 1 12 14602 4 2 1 HEC C4A C 1.467 -7.271 10.365 1.00 . D A . 71 HEC C4A 1 1 12 14603 4 2 1 HEC C4B C -1.559 -8.773 7.695 1.00 . D A . 71 HEC C4B 1 1 12 14604 4 2 1 HEC C4C C -0.573 -5.708 4.873 1.00 . D A . 71 HEC C4C 1 1 12 14605 4 2 1 HEC C4D C 2.553 -4.315 7.463 1.00 . D A . 71 HEC C4D 1 1 12 14606 4 2 1 HEC CAA C 4.544 -5.431 11.327 1.00 . D A . 71 HEC CAA 1 1 12 14607 4 2 1 HEC CAB C -3.383 -10.549 8.431 1.00 . D A . 71 HEC CAB 1 1 12 14608 4 2 1 HEC CAC C -1.863 -5.378 2.566 1.00 . D A . 71 HEC CAC 1 1 12 14609 4 2 1 HEC CAD C 4.434 -2.627 6.717 1.00 . D A . 71 HEC CAD 1 1 12 14610 4 2 1 HEC CBA C 5.581 -6.492 10.942 1.00 . D A . 71 HEC CBA 1 1 12 14611 4 2 1 HEC CBB C -4.344 -10.348 9.611 1.00 . D A . 71 HEC CBB 1 1 12 14612 4 2 1 HEC CBC C -3.284 -4.821 2.453 1.00 . D A . 71 HEC CBC 1 1 12 14613 4 2 1 HEC CBD C 5.685 -3.468 7.059 1.00 . D A . 71 HEC CBD 1 1 12 14614 4 2 1 HEC CGA C 7.043 -6.130 11.202 1.00 . D A . 71 HEC CGA 1 1 12 14615 4 2 1 HEC CGD C 6.451 -2.937 8.282 1.00 . D A . 71 HEC CGD 1 1 12 14616 4 2 1 HEC CHA C 3.070 -4.556 8.708 1.00 . D A . 71 HEC CHA 1 1 12 14617 4 2 1 HEC CHB C 0.576 -8.318 10.523 1.00 . D A . 71 HEC CHB 1 1 12 14618 4 2 1 HEC CHC C -2.058 -8.541 6.433 1.00 . D A . 71 HEC CHC 1 1 12 14619 4 2 1 HEC CHD C 0.345 -4.697 4.686 1.00 . D A . 71 HEC CHD 1 1 12 14620 4 2 1 HEC CMA C 2.485 -7.278 12.827 1.00 . D A . 71 HEC CMA 1 1 12 14621 4 2 1 HEC CMB C -1.264 -10.764 10.844 1.00 . D A . 71 HEC CMB 1 1 12 14622 4 2 1 HEC CMC C -3.189 -8.106 3.646 1.00 . D A . 71 HEC CMC 1 1 12 14623 4 2 1 HEC CMD C 2.517 -2.539 4.177 1.00 . D A . 71 HEC CMD 1 1 12 14624 4 2 1 HEC FE FE 0.477 -6.443 7.678 1.00 . D A . 71 HEC FE 1 1 12 14625 4 2 1 HEC HAA1 H 4.851 -4.483 10.892 1.00 . D A . 71 HEC HAA1 1 1 12 14626 4 2 1 HEC HAA2 H 4.539 -5.310 12.409 1.00 . D A . 71 HEC HAA2 1 1 12 14627 4 2 1 HEC HAB H -3.928 -10.170 7.573 1.00 . D A . 71 HEC HAB 1 1 12 14628 4 2 1 HEC HAC H -1.212 -4.517 2.445 1.00 . D A . 71 HEC HAC 1 1 12 14629 4 2 1 HEC HAD1 H 4.675 -2.029 5.842 1.00 . D A . 71 HEC HAD1 1 1 12 14630 4 2 1 HEC HAD2 H 4.220 -1.949 7.534 1.00 . D A . 71 HEC HAD2 1 1 12 14631 4 2 1 HEC HBA1 H 5.350 -7.399 11.500 1.00 . D A . 71 HEC HBA1 1 1 12 14632 4 2 1 HEC HBA2 H 5.474 -6.674 9.872 1.00 . D A . 71 HEC HBA2 1 1 12 14633 4 2 1 HEC HBB1 H -4.516 -9.285 9.782 1.00 . D A . 71 HEC HBB1 1 1 12 14634 4 2 1 HEC HBB2 H -5.301 -10.822 9.387 1.00 . D A . 71 HEC HBB2 1 1 12 14635 4 2 1 HEC HBB3 H -3.954 -10.794 10.524 1.00 . D A . 71 HEC HBB3 1 1 12 14636 4 2 1 HEC HBC1 H -3.362 -4.238 1.536 1.00 . D A . 71 HEC HBC1 1 1 12 14637 4 2 1 HEC HBC2 H -4.027 -5.616 2.442 1.00 . D A . 71 HEC HBC2 1 1 12 14638 4 2 1 HEC HBC3 H -3.473 -4.161 3.292 1.00 . D A . 71 HEC HBC3 1 1 12 14639 4 2 1 HEC HBD1 H 5.386 -4.494 7.275 1.00 . D A . 71 HEC HBD1 1 1 12 14640 4 2 1 HEC HBD2 H 6.341 -3.497 6.191 1.00 . D A . 71 HEC HBD2 1 1 12 14641 4 2 1 HEC HHA H 3.904 -3.959 9.027 1.00 . D A . 71 HEC HHA 1 1 12 14642 4 2 1 HEC HHB H 0.604 -8.897 11.426 1.00 . D A . 71 HEC HHB 1 1 12 14643 4 2 1 HEC HHC H -2.752 -9.242 6.000 1.00 . D A . 71 HEC HHC 1 1 12 14644 4 2 1 HEC HHD H 0.386 -4.194 3.734 1.00 . D A . 71 HEC HHD 1 1 12 14645 4 2 1 HEC HMA1 H 1.881 -8.157 13.031 1.00 . D A . 71 HEC HMA1 1 1 12 14646 4 2 1 HEC HMA2 H 3.523 -7.479 13.089 1.00 . D A . 71 HEC HMA2 1 1 12 14647 4 2 1 HEC HMA3 H 2.127 -6.460 13.455 1.00 . D A . 71 HEC HMA3 1 1 12 14648 4 2 1 HEC HMB1 H -1.711 -10.303 11.723 1.00 . D A . 71 HEC HMB1 1 1 12 14649 4 2 1 HEC HMB2 H -1.828 -11.655 10.575 1.00 . D A . 71 HEC HMB2 1 1 12 14650 4 2 1 HEC HMB3 H -0.244 -11.072 11.068 1.00 . D A . 71 HEC HMB3 1 1 12 14651 4 2 1 HEC HMC1 H -2.830 -9.134 3.605 1.00 . D A . 71 HEC HMC1 1 1 12 14652 4 2 1 HEC HMC2 H -4.129 -8.076 4.198 1.00 . D A . 71 HEC HMC2 1 1 12 14653 4 2 1 HEC HMC3 H -3.369 -7.772 2.629 1.00 . D A . 71 HEC HMC3 1 1 12 14654 4 2 1 HEC HMD1 H 3.048 -1.621 4.419 1.00 . D A . 71 HEC HMD1 1 1 12 14655 4 2 1 HEC HMD2 H 3.086 -3.093 3.437 1.00 . D A . 71 HEC HMD2 1 1 12 14656 4 2 1 HEC HMD3 H 1.549 -2.264 3.764 1.00 . D A . 71 HEC HMD3 1 1 12 14657 4 2 1 HEC NA N 1.588 -6.433 9.304 1.00 . D A . 71 HEC NA 1 1 12 14658 4 2 1 HEC NB N -0.596 -8.055 8.354 1.00 . D A . 71 HEC NB 1 1 12 14659 4 2 1 HEC NC N -0.727 -6.531 5.974 1.00 . D A . 71 HEC NC 1 1 12 14660 4 2 1 HEC ND N 1.492 -4.922 6.867 1.00 . D A . 71 HEC ND 1 1 12 14661 4 2 1 HEC O1A O 7.909 -6.917 10.762 1.00 . D A . 71 HEC O1A 1 1 12 14662 4 2 1 HEC O1D O 7.696 -2.947 8.322 1.00 . D A . 71 HEC O1D 1 1 12 14663 4 2 1 HEC O2A O 7.290 -5.070 11.812 1.00 . D A . 71 HEC O2A 1 1 12 14664 4 2 1 HEC O2D O 5.787 -2.552 9.268 1.00 . D A . 71 HEC O2D 1 1 13 14665 1 1 1 ALA C C 8.962 3.121 -6.707 1.00 . A A . 1 ALA C 1 1 13 14666 1 1 1 ALA CA C 9.578 4.289 -5.950 1.00 . A A . 1 ALA CA 1 1 13 14667 1 1 1 ALA CB C 11.069 4.051 -5.695 1.00 . A A . 1 ALA CB 1 1 13 14668 1 1 1 ALA H1 H 8.795 3.574 -4.214 1.00 . A A . 1 ALA H1 1 1 13 14669 1 1 1 ALA H2 H 9.304 5.160 -4.115 1.00 . A A . 1 ALA H2 1 1 13 14670 1 1 1 ALA H3 H 7.895 4.786 -4.876 1.00 . A A . 1 ALA H3 1 1 13 14671 1 1 1 ALA HA H 9.471 5.202 -6.536 1.00 . A A . 1 ALA HA 1 1 13 14672 1 1 1 ALA HB1 H 11.589 3.922 -6.646 1.00 . A A . 1 ALA HB1 1 1 13 14673 1 1 1 ALA HB2 H 11.502 4.906 -5.173 1.00 . A A . 1 ALA HB2 1 1 13 14674 1 1 1 ALA HB3 H 11.216 3.157 -5.090 1.00 . A A . 1 ALA HB3 1 1 13 14675 1 1 1 ALA N N 8.832 4.463 -4.691 1.00 . A A . 1 ALA N 1 1 13 14676 1 1 1 ALA O O 8.339 2.278 -6.064 1.00 . A A . 1 ALA O 1 1 13 14677 1 1 2 ASP C C 8.899 0.679 -8.591 1.00 . A A . 2 ASP C 1 1 13 14678 1 1 2 ASP CA C 8.560 2.124 -8.973 1.00 . A A . 2 ASP CA 1 1 13 14679 1 1 2 ASP CB C 9.009 2.499 -10.398 1.00 . A A . 2 ASP CB 1 1 13 14680 1 1 2 ASP CG C 10.496 2.821 -10.531 1.00 . A A . 2 ASP CG 1 1 13 14681 1 1 2 ASP H H 9.728 3.736 -8.506 1.00 . A A . 2 ASP H 1 1 13 14682 1 1 2 ASP HA H 7.479 2.216 -8.969 1.00 . A A . 2 ASP HA 1 1 13 14683 1 1 2 ASP HB2 H 8.766 1.687 -11.083 1.00 . A A . 2 ASP HB2 1 1 13 14684 1 1 2 ASP HB3 H 8.477 3.395 -10.716 1.00 . A A . 2 ASP HB3 1 1 13 14685 1 1 2 ASP N N 9.084 3.100 -8.036 1.00 . A A . 2 ASP N 1 1 13 14686 1 1 2 ASP O O 9.810 0.072 -9.140 1.00 . A A . 2 ASP O 1 1 13 14687 1 1 2 ASP OD1 O 10.933 3.717 -9.771 1.00 . A A . 2 ASP OD1 1 1 13 14688 1 1 2 ASP OD2 O 11.138 2.228 -11.422 1.00 . A A . 2 ASP OD2 1 1 13 14689 1 1 3 VAL C C 9.112 -1.389 -6.111 1.00 . A A . 3 VAL C 1 1 13 14690 1 1 3 VAL CA C 8.063 -1.241 -7.210 1.00 . A A . 3 VAL CA 1 1 13 14691 1 1 3 VAL CB C 8.179 -2.289 -8.336 1.00 . A A . 3 VAL CB 1 1 13 14692 1 1 3 VAL CG1 C 7.858 -3.680 -7.774 1.00 . A A . 3 VAL CG1 1 1 13 14693 1 1 3 VAL CG2 C 7.195 -1.992 -9.477 1.00 . A A . 3 VAL CG2 1 1 13 14694 1 1 3 VAL H H 7.544 0.796 -7.142 1.00 . A A . 3 VAL H 1 1 13 14695 1 1 3 VAL HA H 7.082 -1.383 -6.756 1.00 . A A . 3 VAL HA 1 1 13 14696 1 1 3 VAL HB H 9.192 -2.315 -8.739 1.00 . A A . 3 VAL HB 1 1 13 14697 1 1 3 VAL HG11 H 6.841 -3.701 -7.376 1.00 . A A . 3 VAL HG11 1 1 13 14698 1 1 3 VAL HG12 H 7.942 -4.426 -8.565 1.00 . A A . 3 VAL HG12 1 1 13 14699 1 1 3 VAL HG13 H 8.557 -3.939 -6.980 1.00 . A A . 3 VAL HG13 1 1 13 14700 1 1 3 VAL HG21 H 7.160 -2.834 -10.170 1.00 . A A . 3 VAL HG21 1 1 13 14701 1 1 3 VAL HG22 H 6.202 -1.829 -9.066 1.00 . A A . 3 VAL HG22 1 1 13 14702 1 1 3 VAL HG23 H 7.496 -1.108 -10.036 1.00 . A A . 3 VAL HG23 1 1 13 14703 1 1 3 VAL N N 8.078 0.133 -7.689 1.00 . A A . 3 VAL N 1 1 13 14704 1 1 3 VAL O O 10.294 -1.583 -6.386 1.00 . A A . 3 VAL O 1 1 13 14705 1 1 4 VAL C C 8.941 -2.613 -2.884 1.00 . A A . 4 VAL C 1 1 13 14706 1 1 4 VAL CA C 9.516 -1.456 -3.681 1.00 . A A . 4 VAL CA 1 1 13 14707 1 1 4 VAL CB C 9.588 -0.143 -2.878 1.00 . A A . 4 VAL CB 1 1 13 14708 1 1 4 VAL CG1 C 10.189 -0.301 -1.470 1.00 . A A . 4 VAL CG1 1 1 13 14709 1 1 4 VAL CG2 C 10.465 0.855 -3.636 1.00 . A A . 4 VAL CG2 1 1 13 14710 1 1 4 VAL H H 7.668 -1.254 -4.685 1.00 . A A . 4 VAL H 1 1 13 14711 1 1 4 VAL HA H 10.535 -1.727 -3.942 1.00 . A A . 4 VAL HA 1 1 13 14712 1 1 4 VAL HB H 8.583 0.269 -2.791 1.00 . A A . 4 VAL HB 1 1 13 14713 1 1 4 VAL HG11 H 10.282 0.677 -0.997 1.00 . A A . 4 VAL HG11 1 1 13 14714 1 1 4 VAL HG12 H 9.555 -0.917 -0.836 1.00 . A A . 4 VAL HG12 1 1 13 14715 1 1 4 VAL HG13 H 11.178 -0.757 -1.529 1.00 . A A . 4 VAL HG13 1 1 13 14716 1 1 4 VAL HG21 H 10.468 1.810 -3.110 1.00 . A A . 4 VAL HG21 1 1 13 14717 1 1 4 VAL HG22 H 11.485 0.476 -3.695 1.00 . A A . 4 VAL HG22 1 1 13 14718 1 1 4 VAL HG23 H 10.083 0.999 -4.644 1.00 . A A . 4 VAL HG23 1 1 13 14719 1 1 4 VAL N N 8.672 -1.281 -4.855 1.00 . A A . 4 VAL N 1 1 13 14720 1 1 4 VAL O O 7.795 -3.021 -3.083 1.00 . A A . 4 VAL O 1 1 13 14721 1 1 5 THR C C 9.719 -3.351 0.464 1.00 . A A . 5 THR C 1 1 13 14722 1 1 5 THR CA C 9.192 -3.883 -0.859 1.00 . A A . 5 THR CA 1 1 13 14723 1 1 5 THR CB C 9.469 -5.382 -1.048 1.00 . A A . 5 THR CB 1 1 13 14724 1 1 5 THR CG2 C 10.956 -5.734 -1.158 1.00 . A A . 5 THR CG2 1 1 13 14725 1 1 5 THR H H 10.679 -2.780 -1.828 1.00 . A A . 5 THR H 1 1 13 14726 1 1 5 THR HA H 8.129 -3.652 -0.840 1.00 . A A . 5 THR HA 1 1 13 14727 1 1 5 THR HB H 8.972 -5.721 -1.958 1.00 . A A . 5 THR HB 1 1 13 14728 1 1 5 THR HG1 H 8.195 -5.534 0.367 1.00 . A A . 5 THR HG1 1 1 13 14729 1 1 5 THR HG21 H 11.060 -6.813 -1.281 1.00 . A A . 5 THR HG21 1 1 13 14730 1 1 5 THR HG22 H 11.402 -5.238 -2.020 1.00 . A A . 5 THR HG22 1 1 13 14731 1 1 5 THR HG23 H 11.490 -5.435 -0.254 1.00 . A A . 5 THR HG23 1 1 13 14732 1 1 5 THR N N 9.741 -3.134 -1.955 1.00 . A A . 5 THR N 1 1 13 14733 1 1 5 THR O O 10.890 -2.993 0.575 1.00 . A A . 5 THR O 1 1 13 14734 1 1 5 THR OG1 O 8.931 -6.070 0.051 1.00 . A A . 5 THR OG1 1 1 13 14735 1 1 6 TYR C C 9.684 -4.656 3.250 1.00 . A A . 6 TYR C 1 1 13 14736 1 1 6 TYR CA C 9.267 -3.245 2.845 1.00 . A A . 6 TYR CA 1 1 13 14737 1 1 6 TYR CB C 8.152 -2.686 3.737 1.00 . A A . 6 TYR CB 1 1 13 14738 1 1 6 TYR CD1 C 8.611 -0.239 3.277 1.00 . A A . 6 TYR CD1 1 1 13 14739 1 1 6 TYR CD2 C 6.346 -1.068 2.987 1.00 . A A . 6 TYR CD2 1 1 13 14740 1 1 6 TYR CE1 C 8.188 1.042 2.890 1.00 . A A . 6 TYR CE1 1 1 13 14741 1 1 6 TYR CE2 C 5.917 0.227 2.643 1.00 . A A . 6 TYR CE2 1 1 13 14742 1 1 6 TYR CG C 7.685 -1.296 3.351 1.00 . A A . 6 TYR CG 1 1 13 14743 1 1 6 TYR CZ C 6.820 1.303 2.690 1.00 . A A . 6 TYR CZ 1 1 13 14744 1 1 6 TYR H H 7.884 -3.614 1.275 1.00 . A A . 6 TYR H 1 1 13 14745 1 1 6 TYR HA H 10.128 -2.584 2.932 1.00 . A A . 6 TYR HA 1 1 13 14746 1 1 6 TYR HB2 H 7.306 -3.371 3.732 1.00 . A A . 6 TYR HB2 1 1 13 14747 1 1 6 TYR HB3 H 8.534 -2.641 4.757 1.00 . A A . 6 TYR HB3 1 1 13 14748 1 1 6 TYR HD1 H 9.654 -0.406 3.496 1.00 . A A . 6 TYR HD1 1 1 13 14749 1 1 6 TYR HD2 H 5.656 -1.894 2.924 1.00 . A A . 6 TYR HD2 1 1 13 14750 1 1 6 TYR HE1 H 8.932 1.802 2.715 1.00 . A A . 6 TYR HE1 1 1 13 14751 1 1 6 TYR HE2 H 4.916 0.374 2.268 1.00 . A A . 6 TYR HE2 1 1 13 14752 1 1 6 TYR HH H 7.127 3.210 2.478 1.00 . A A . 6 TYR HH 1 1 13 14753 1 1 6 TYR N N 8.837 -3.319 1.465 1.00 . A A . 6 TYR N 1 1 13 14754 1 1 6 TYR O O 8.833 -5.523 3.472 1.00 . A A . 6 TYR O 1 1 13 14755 1 1 6 TYR OH O 6.383 2.581 2.492 1.00 . A A . 6 TYR OH 1 1 13 14756 1 1 7 GLU C C 11.491 -6.419 5.173 1.00 . A A . 7 GLU C 1 1 13 14757 1 1 7 GLU CA C 11.577 -6.174 3.666 1.00 . A A . 7 GLU CA 1 1 13 14758 1 1 7 GLU CB C 12.980 -6.320 3.094 1.00 . A A . 7 GLU CB 1 1 13 14759 1 1 7 GLU CD C 15.310 -5.405 2.800 1.00 . A A . 7 GLU CD 1 1 13 14760 1 1 7 GLU CG C 13.897 -5.100 3.279 1.00 . A A . 7 GLU CG 1 1 13 14761 1 1 7 GLU H H 11.635 -4.148 3.067 1.00 . A A . 7 GLU H 1 1 13 14762 1 1 7 GLU HA H 10.986 -6.952 3.189 1.00 . A A . 7 GLU HA 1 1 13 14763 1 1 7 GLU HB2 H 13.408 -7.195 3.577 1.00 . A A . 7 GLU HB2 1 1 13 14764 1 1 7 GLU HB3 H 12.876 -6.524 2.031 1.00 . A A . 7 GLU HB3 1 1 13 14765 1 1 7 GLU HG2 H 13.544 -4.254 2.692 1.00 . A A . 7 GLU HG2 1 1 13 14766 1 1 7 GLU HG3 H 13.936 -4.821 4.332 1.00 . A A . 7 GLU HG3 1 1 13 14767 1 1 7 GLU N N 10.997 -4.892 3.306 1.00 . A A . 7 GLU N 1 1 13 14768 1 1 7 GLU O O 12.473 -6.498 5.906 1.00 . A A . 7 GLU O 1 1 13 14769 1 1 7 GLU OE1 O 15.428 -5.811 1.623 1.00 . A A . 7 GLU OE1 1 1 13 14770 1 1 7 GLU OE2 O 16.242 -5.229 3.612 1.00 . A A . 7 GLU OE2 1 1 13 14771 1 1 8 ASN C C 9.876 -8.326 7.240 1.00 . A A . 8 ASN C 1 1 13 14772 1 1 8 ASN CA C 9.823 -6.826 6.966 1.00 . A A . 8 ASN CA 1 1 13 14773 1 1 8 ASN CB C 8.424 -6.246 7.200 1.00 . A A . 8 ASN CB 1 1 13 14774 1 1 8 ASN CG C 7.273 -6.947 6.486 1.00 . A A . 8 ASN CG 1 1 13 14775 1 1 8 ASN H H 9.577 -6.515 4.847 1.00 . A A . 8 ASN H 1 1 13 14776 1 1 8 ASN HA H 10.513 -6.325 7.646 1.00 . A A . 8 ASN HA 1 1 13 14777 1 1 8 ASN HB2 H 8.224 -6.291 8.263 1.00 . A A . 8 ASN HB2 1 1 13 14778 1 1 8 ASN HB3 H 8.408 -5.200 6.897 1.00 . A A . 8 ASN HB3 1 1 13 14779 1 1 8 ASN HD21 H 8.466 -8.278 5.490 1.00 . A A . 8 ASN HD21 1 1 13 14780 1 1 8 ASN HD22 H 6.764 -8.295 5.075 1.00 . A A . 8 ASN HD22 1 1 13 14781 1 1 8 ASN N N 10.246 -6.560 5.600 1.00 . A A . 8 ASN N 1 1 13 14782 1 1 8 ASN ND2 N 7.527 -7.931 5.631 1.00 . A A . 8 ASN ND2 1 1 13 14783 1 1 8 ASN O O 10.002 -9.106 6.291 1.00 . A A . 8 ASN O 1 1 13 14784 1 1 8 ASN OD1 O 6.122 -6.590 6.686 1.00 . A A . 8 ASN OD1 1 1 13 14785 1 1 9 LYS C C 8.684 -10.942 8.461 1.00 . A A . 9 LYS C 1 1 13 14786 1 1 9 LYS CA C 9.897 -10.123 8.898 1.00 . A A . 9 LYS CA 1 1 13 14787 1 1 9 LYS CB C 10.158 -10.195 10.420 1.00 . A A . 9 LYS CB 1 1 13 14788 1 1 9 LYS CD C 10.961 -12.536 11.274 1.00 . A A . 9 LYS CD 1 1 13 14789 1 1 9 LYS CE C 10.260 -13.328 10.164 1.00 . A A . 9 LYS CE 1 1 13 14790 1 1 9 LYS CG C 11.331 -11.105 10.840 1.00 . A A . 9 LYS CG 1 1 13 14791 1 1 9 LYS H H 9.233 -8.138 9.171 1.00 . A A . 9 LYS H 1 1 13 14792 1 1 9 LYS HA H 10.771 -10.487 8.357 1.00 . A A . 9 LYS HA 1 1 13 14793 1 1 9 LYS HB2 H 10.437 -9.192 10.749 1.00 . A A . 9 LYS HB2 1 1 13 14794 1 1 9 LYS HB3 H 9.248 -10.461 10.959 1.00 . A A . 9 LYS HB3 1 1 13 14795 1 1 9 LYS HD2 H 11.892 -13.033 11.557 1.00 . A A . 9 LYS HD2 1 1 13 14796 1 1 9 LYS HD3 H 10.318 -12.483 12.156 1.00 . A A . 9 LYS HD3 1 1 13 14797 1 1 9 LYS HE2 H 9.217 -13.018 10.135 1.00 . A A . 9 LYS HE2 1 1 13 14798 1 1 9 LYS HE3 H 10.743 -13.116 9.207 1.00 . A A . 9 LYS HE3 1 1 13 14799 1 1 9 LYS HG2 H 12.085 -11.132 10.053 1.00 . A A . 9 LYS HG2 1 1 13 14800 1 1 9 LYS HG3 H 11.800 -10.634 11.706 1.00 . A A . 9 LYS HG3 1 1 13 14801 1 1 9 LYS HZ1 H 9.789 -15.231 9.605 1.00 . A A . 9 LYS HZ1 1 1 13 14802 1 1 9 LYS HZ2 H 11.233 -15.130 10.381 1.00 . A A . 9 LYS HZ2 1 1 13 14803 1 1 9 LYS HZ3 H 9.825 -15.033 11.238 1.00 . A A . 9 LYS HZ3 1 1 13 14804 1 1 9 LYS N N 9.713 -8.740 8.497 1.00 . A A . 9 LYS N 1 1 13 14805 1 1 9 LYS NZ N 10.282 -14.789 10.371 1.00 . A A . 9 LYS NZ 1 1 13 14806 1 1 9 LYS O O 8.859 -12.062 7.988 1.00 . A A . 9 LYS O 1 1 13 14807 1 1 10 LYS C C 6.301 -11.889 7.000 1.00 . A A . 10 LYS C 1 1 13 14808 1 1 10 LYS CA C 6.208 -11.062 8.275 1.00 . A A . 10 LYS CA 1 1 13 14809 1 1 10 LYS CB C 5.108 -10.030 7.989 1.00 . A A . 10 LYS CB 1 1 13 14810 1 1 10 LYS CD C 4.038 -10.282 10.278 1.00 . A A . 10 LYS CD 1 1 13 14811 1 1 10 LYS CE C 5.122 -10.398 11.362 1.00 . A A . 10 LYS CE 1 1 13 14812 1 1 10 LYS CG C 4.487 -9.311 9.180 1.00 . A A . 10 LYS CG 1 1 13 14813 1 1 10 LYS H H 7.438 -9.478 9.074 1.00 . A A . 10 LYS H 1 1 13 14814 1 1 10 LYS HA H 5.919 -11.744 9.071 1.00 . A A . 10 LYS HA 1 1 13 14815 1 1 10 LYS HB2 H 5.507 -9.276 7.310 1.00 . A A . 10 LYS HB2 1 1 13 14816 1 1 10 LYS HB3 H 4.287 -10.542 7.483 1.00 . A A . 10 LYS HB3 1 1 13 14817 1 1 10 LYS HD2 H 3.123 -9.895 10.726 1.00 . A A . 10 LYS HD2 1 1 13 14818 1 1 10 LYS HD3 H 3.799 -11.243 9.820 1.00 . A A . 10 LYS HD3 1 1 13 14819 1 1 10 LYS HE2 H 6.120 -10.358 10.924 1.00 . A A . 10 LYS HE2 1 1 13 14820 1 1 10 LYS HE3 H 5.034 -9.548 12.037 1.00 . A A . 10 LYS HE3 1 1 13 14821 1 1 10 LYS HG2 H 5.189 -8.571 9.547 1.00 . A A . 10 LYS HG2 1 1 13 14822 1 1 10 LYS HG3 H 3.619 -8.778 8.789 1.00 . A A . 10 LYS HG3 1 1 13 14823 1 1 10 LYS HZ1 H 5.717 -11.642 12.861 1.00 . A A . 10 LYS HZ1 1 1 13 14824 1 1 10 LYS HZ2 H 4.094 -11.680 12.593 1.00 . A A . 10 LYS HZ2 1 1 13 14825 1 1 10 LYS HZ3 H 5.121 -12.439 11.548 1.00 . A A . 10 LYS HZ3 1 1 13 14826 1 1 10 LYS N N 7.468 -10.402 8.629 1.00 . A A . 10 LYS N 1 1 13 14827 1 1 10 LYS NZ N 5.000 -11.636 12.150 1.00 . A A . 10 LYS NZ 1 1 13 14828 1 1 10 LYS O O 5.761 -12.988 6.929 1.00 . A A . 10 LYS O 1 1 13 14829 1 1 11 GLY C C 6.873 -10.365 3.846 1.00 . A A . 11 GLY C 1 1 13 14830 1 1 11 GLY CA C 6.808 -11.668 4.607 1.00 . A A . 11 GLY CA 1 1 13 14831 1 1 11 GLY H H 7.284 -10.355 6.179 1.00 . A A . 11 GLY H 1 1 13 14832 1 1 11 GLY HA2 H 7.661 -12.306 4.376 1.00 . A A . 11 GLY HA2 1 1 13 14833 1 1 11 GLY HA3 H 5.864 -12.170 4.393 1.00 . A A . 11 GLY HA3 1 1 13 14834 1 1 11 GLY N N 6.883 -11.262 5.987 1.00 . A A . 11 GLY N 1 1 13 14835 1 1 11 GLY O O 5.978 -9.526 4.012 1.00 . A A . 11 GLY O 1 1 13 14836 1 1 12 ASN C C 7.240 -8.265 1.831 1.00 . A A . 12 ASN C 1 1 13 14837 1 1 12 ASN CA C 8.412 -8.863 2.603 1.00 . A A . 12 ASN CA 1 1 13 14838 1 1 12 ASN CB C 9.644 -9.026 1.709 1.00 . A A . 12 ASN CB 1 1 13 14839 1 1 12 ASN CG C 10.879 -9.629 2.390 1.00 . A A . 12 ASN CG 1 1 13 14840 1 1 12 ASN H H 8.668 -10.906 3.125 1.00 . A A . 12 ASN H 1 1 13 14841 1 1 12 ASN HA H 8.692 -8.183 3.402 1.00 . A A . 12 ASN HA 1 1 13 14842 1 1 12 ASN HB2 H 9.368 -9.646 0.859 1.00 . A A . 12 ASN HB2 1 1 13 14843 1 1 12 ASN HB3 H 9.930 -8.048 1.327 1.00 . A A . 12 ASN HB3 1 1 13 14844 1 1 12 ASN HD21 H 10.246 -9.336 4.366 1.00 . A A . 12 ASN HD21 1 1 13 14845 1 1 12 ASN HD22 H 11.804 -10.054 4.116 1.00 . A A . 12 ASN HD22 1 1 13 14846 1 1 12 ASN N N 8.009 -10.143 3.176 1.00 . A A . 12 ASN N 1 1 13 14847 1 1 12 ASN ND2 N 10.962 -9.664 3.722 1.00 . A A . 12 ASN ND2 1 1 13 14848 1 1 12 ASN O O 6.725 -8.889 0.903 1.00 . A A . 12 ASN O 1 1 13 14849 1 1 12 ASN OD1 O 11.784 -10.086 1.703 1.00 . A A . 12 ASN OD1 1 1 13 14850 1 1 13 VAL C C 5.912 -5.905 0.378 1.00 . A A . 13 VAL C 1 1 13 14851 1 1 13 VAL CA C 5.555 -6.520 1.709 1.00 . A A . 13 VAL CA 1 1 13 14852 1 1 13 VAL CB C 4.932 -5.472 2.638 1.00 . A A . 13 VAL CB 1 1 13 14853 1 1 13 VAL CG1 C 3.772 -4.765 1.925 1.00 . A A . 13 VAL CG1 1 1 13 14854 1 1 13 VAL CG2 C 4.395 -6.168 3.880 1.00 . A A . 13 VAL CG2 1 1 13 14855 1 1 13 VAL H H 7.315 -6.570 2.940 1.00 . A A . 13 VAL H 1 1 13 14856 1 1 13 VAL HA H 4.819 -7.311 1.561 1.00 . A A . 13 VAL HA 1 1 13 14857 1 1 13 VAL HB H 5.677 -4.737 2.938 1.00 . A A . 13 VAL HB 1 1 13 14858 1 1 13 VAL HG11 H 3.071 -4.359 2.652 1.00 . A A . 13 VAL HG11 1 1 13 14859 1 1 13 VAL HG12 H 4.148 -3.954 1.301 1.00 . A A . 13 VAL HG12 1 1 13 14860 1 1 13 VAL HG13 H 3.241 -5.476 1.294 1.00 . A A . 13 VAL HG13 1 1 13 14861 1 1 13 VAL HG21 H 3.555 -6.806 3.604 1.00 . A A . 13 VAL HG21 1 1 13 14862 1 1 13 VAL HG22 H 5.184 -6.769 4.324 1.00 . A A . 13 VAL HG22 1 1 13 14863 1 1 13 VAL HG23 H 4.071 -5.423 4.601 1.00 . A A . 13 VAL HG23 1 1 13 14864 1 1 13 VAL N N 6.769 -7.095 2.265 1.00 . A A . 13 VAL N 1 1 13 14865 1 1 13 VAL O O 6.505 -4.826 0.352 1.00 . A A . 13 VAL O 1 1 13 14866 1 1 14 THR C C 4.664 -5.002 -2.232 1.00 . A A . 14 THR C 1 1 13 14867 1 1 14 THR CA C 5.741 -6.065 -2.042 1.00 . A A . 14 THR CA 1 1 13 14868 1 1 14 THR CB C 5.695 -7.203 -3.078 1.00 . A A . 14 THR CB 1 1 13 14869 1 1 14 THR CG2 C 4.360 -7.956 -3.139 1.00 . A A . 14 THR CG2 1 1 13 14870 1 1 14 THR H H 5.100 -7.477 -0.584 1.00 . A A . 14 THR H 1 1 13 14871 1 1 14 THR HA H 6.718 -5.591 -2.123 1.00 . A A . 14 THR HA 1 1 13 14872 1 1 14 THR HB H 6.476 -7.920 -2.816 1.00 . A A . 14 THR HB 1 1 13 14873 1 1 14 THR HG1 H 5.952 -7.392 -5.003 1.00 . A A . 14 THR HG1 1 1 13 14874 1 1 14 THR HG21 H 4.071 -8.322 -2.154 1.00 . A A . 14 THR HG21 1 1 13 14875 1 1 14 THR HG22 H 3.573 -7.305 -3.522 1.00 . A A . 14 THR HG22 1 1 13 14876 1 1 14 THR HG23 H 4.454 -8.811 -3.809 1.00 . A A . 14 THR HG23 1 1 13 14877 1 1 14 THR N N 5.590 -6.602 -0.707 1.00 . A A . 14 THR N 1 1 13 14878 1 1 14 THR O O 3.488 -5.264 -1.964 1.00 . A A . 14 THR O 1 1 13 14879 1 1 14 THR OG1 O 5.995 -6.683 -4.356 1.00 . A A . 14 THR OG1 1 1 13 14880 1 1 15 PHE C C 4.555 -2.207 -4.405 1.00 . A A . 15 PHE C 1 1 13 14881 1 1 15 PHE CA C 4.091 -2.798 -3.081 1.00 . A A . 15 PHE CA 1 1 13 14882 1 1 15 PHE CB C 3.835 -1.735 -2.011 1.00 . A A . 15 PHE CB 1 1 13 14883 1 1 15 PHE CD1 C 5.948 -1.390 -0.691 1.00 . A A . 15 PHE CD1 1 1 13 14884 1 1 15 PHE CD2 C 5.149 0.418 -2.117 1.00 . A A . 15 PHE CD2 1 1 13 14885 1 1 15 PHE CE1 C 6.975 -0.562 -0.221 1.00 . A A . 15 PHE CE1 1 1 13 14886 1 1 15 PHE CE2 C 6.163 1.254 -1.627 1.00 . A A . 15 PHE CE2 1 1 13 14887 1 1 15 PHE CG C 5.022 -0.892 -1.622 1.00 . A A . 15 PHE CG 1 1 13 14888 1 1 15 PHE CZ C 7.049 0.772 -0.649 1.00 . A A . 15 PHE CZ 1 1 13 14889 1 1 15 PHE H H 6.032 -3.571 -2.783 1.00 . A A . 15 PHE H 1 1 13 14890 1 1 15 PHE HA H 3.125 -3.277 -3.259 1.00 . A A . 15 PHE HA 1 1 13 14891 1 1 15 PHE HB2 H 3.039 -1.080 -2.364 1.00 . A A . 15 PHE HB2 1 1 13 14892 1 1 15 PHE HB3 H 3.488 -2.232 -1.109 1.00 . A A . 15 PHE HB3 1 1 13 14893 1 1 15 PHE HD1 H 5.858 -2.399 -0.318 1.00 . A A . 15 PHE HD1 1 1 13 14894 1 1 15 PHE HD2 H 4.468 0.784 -2.874 1.00 . A A . 15 PHE HD2 1 1 13 14895 1 1 15 PHE HE1 H 7.671 -0.932 0.515 1.00 . A A . 15 PHE HE1 1 1 13 14896 1 1 15 PHE HE2 H 6.256 2.265 -1.996 1.00 . A A . 15 PHE HE2 1 1 13 14897 1 1 15 PHE HZ H 7.801 1.416 -0.232 1.00 . A A . 15 PHE HZ 1 1 13 14898 1 1 15 PHE N N 5.048 -3.792 -2.642 1.00 . A A . 15 PHE N 1 1 13 14899 1 1 15 PHE O O 5.639 -1.627 -4.524 1.00 . A A . 15 PHE O 1 1 13 14900 1 1 16 ASP C C 3.610 -0.051 -6.164 1.00 . A A . 16 ASP C 1 1 13 14901 1 1 16 ASP CA C 3.755 -1.512 -6.578 1.00 . A A . 16 ASP CA 1 1 13 14902 1 1 16 ASP CB C 2.641 -1.897 -7.548 1.00 . A A . 16 ASP CB 1 1 13 14903 1 1 16 ASP CG C 3.124 -2.915 -8.563 1.00 . A A . 16 ASP CG 1 1 13 14904 1 1 16 ASP H H 2.849 -2.884 -5.263 1.00 . A A . 16 ASP H 1 1 13 14905 1 1 16 ASP HA H 4.725 -1.645 -7.059 1.00 . A A . 16 ASP HA 1 1 13 14906 1 1 16 ASP HB2 H 1.775 -2.289 -7.017 1.00 . A A . 16 ASP HB2 1 1 13 14907 1 1 16 ASP HB3 H 2.349 -0.999 -8.079 1.00 . A A . 16 ASP HB3 1 1 13 14908 1 1 16 ASP N N 3.691 -2.347 -5.405 1.00 . A A . 16 ASP N 1 1 13 14909 1 1 16 ASP O O 3.110 0.272 -5.086 1.00 . A A . 16 ASP O 1 1 13 14910 1 1 16 ASP OD1 O 3.843 -2.471 -9.484 1.00 . A A . 16 ASP OD1 1 1 13 14911 1 1 16 ASP OD2 O 2.759 -4.097 -8.402 1.00 . A A . 16 ASP OD2 1 1 13 14912 1 1 17 HIS C C 3.660 2.935 -8.134 1.00 . A A . 17 HIS C 1 1 13 14913 1 1 17 HIS CA C 4.074 2.260 -6.834 1.00 . A A . 17 HIS CA 1 1 13 14914 1 1 17 HIS CB C 5.490 2.632 -6.394 1.00 . A A . 17 HIS CB 1 1 13 14915 1 1 17 HIS CD2 C 5.110 4.842 -5.238 1.00 . A A . 17 HIS CD2 1 1 13 14916 1 1 17 HIS CE1 C 5.987 6.228 -6.688 1.00 . A A . 17 HIS CE1 1 1 13 14917 1 1 17 HIS CG C 5.692 4.108 -6.225 1.00 . A A . 17 HIS CG 1 1 13 14918 1 1 17 HIS H H 4.412 0.461 -7.925 1.00 . A A . 17 HIS H 1 1 13 14919 1 1 17 HIS HA H 3.365 2.550 -6.057 1.00 . A A . 17 HIS HA 1 1 13 14920 1 1 17 HIS HB2 H 5.698 2.145 -5.439 1.00 . A A . 17 HIS HB2 1 1 13 14921 1 1 17 HIS HB3 H 6.192 2.258 -7.125 1.00 . A A . 17 HIS HB3 1 1 13 14922 1 1 17 HIS HD1 H 6.665 4.753 -8.025 1.00 . A A . 17 HIS HD1 1 1 13 14923 1 1 17 HIS HD2 H 4.519 4.446 -4.431 1.00 . A A . 17 HIS HD2 1 1 13 14924 1 1 17 HIS HE1 H 6.229 7.145 -7.203 1.00 . A A . 17 HIS HE1 1 1 13 14925 1 1 17 HIS N N 4.048 0.829 -7.058 1.00 . A A . 17 HIS N 1 1 13 14926 1 1 17 HIS ND1 N 6.240 4.985 -7.138 1.00 . A A . 17 HIS ND1 1 1 13 14927 1 1 17 HIS NE2 N 5.298 6.186 -5.539 1.00 . A A . 17 HIS NE2 1 1 13 14928 1 1 17 HIS O O 2.538 3.409 -8.267 1.00 . A A . 17 HIS O 1 1 13 14929 1 1 18 LYS C C 3.026 2.683 -11.020 1.00 . A A . 18 LYS C 1 1 13 14930 1 1 18 LYS CA C 4.290 3.352 -10.479 1.00 . A A . 18 LYS CA 1 1 13 14931 1 1 18 LYS CB C 5.566 3.162 -11.311 1.00 . A A . 18 LYS CB 1 1 13 14932 1 1 18 LYS CD C 5.721 1.044 -12.627 1.00 . A A . 18 LYS CD 1 1 13 14933 1 1 18 LYS CE C 5.612 0.349 -13.994 1.00 . A A . 18 LYS CE 1 1 13 14934 1 1 18 LYS CG C 5.385 2.538 -12.694 1.00 . A A . 18 LYS CG 1 1 13 14935 1 1 18 LYS H H 5.439 2.470 -8.945 1.00 . A A . 18 LYS H 1 1 13 14936 1 1 18 LYS HA H 4.097 4.419 -10.474 1.00 . A A . 18 LYS HA 1 1 13 14937 1 1 18 LYS HB2 H 6.039 4.139 -11.421 1.00 . A A . 18 LYS HB2 1 1 13 14938 1 1 18 LYS HB3 H 6.273 2.544 -10.767 1.00 . A A . 18 LYS HB3 1 1 13 14939 1 1 18 LYS HD2 H 6.754 0.966 -12.260 1.00 . A A . 18 LYS HD2 1 1 13 14940 1 1 18 LYS HD3 H 5.093 0.543 -11.898 1.00 . A A . 18 LYS HD3 1 1 13 14941 1 1 18 LYS HE2 H 6.379 0.759 -14.654 1.00 . A A . 18 LYS HE2 1 1 13 14942 1 1 18 LYS HE3 H 5.812 -0.717 -13.859 1.00 . A A . 18 LYS HE3 1 1 13 14943 1 1 18 LYS HG2 H 4.405 2.769 -13.111 1.00 . A A . 18 LYS HG2 1 1 13 14944 1 1 18 LYS HG3 H 6.124 2.990 -13.335 1.00 . A A . 18 LYS HG3 1 1 13 14945 1 1 18 LYS HZ1 H 4.019 1.487 -14.810 1.00 . A A . 18 LYS HZ1 1 1 13 14946 1 1 18 LYS HZ2 H 4.273 0.069 -15.557 1.00 . A A . 18 LYS HZ2 1 1 13 14947 1 1 18 LYS HZ3 H 3.484 0.147 -14.158 1.00 . A A . 18 LYS HZ3 1 1 13 14948 1 1 18 LYS N N 4.550 2.900 -9.125 1.00 . A A . 18 LYS N 1 1 13 14949 1 1 18 LYS NZ N 4.295 0.514 -14.653 1.00 . A A . 18 LYS NZ 1 1 13 14950 1 1 18 LYS O O 2.137 3.349 -11.536 1.00 . A A . 18 LYS O 1 1 13 14951 1 1 19 ALA C C 0.466 1.210 -10.557 1.00 . A A . 19 ALA C 1 1 13 14952 1 1 19 ALA CA C 1.702 0.669 -11.276 1.00 . A A . 19 ALA CA 1 1 13 14953 1 1 19 ALA CB C 1.813 -0.820 -11.051 1.00 . A A . 19 ALA CB 1 1 13 14954 1 1 19 ALA H H 3.726 0.863 -10.555 1.00 . A A . 19 ALA H 1 1 13 14955 1 1 19 ALA HA H 1.589 0.796 -12.343 1.00 . A A . 19 ALA HA 1 1 13 14956 1 1 19 ALA HB1 H 2.798 -1.172 -11.349 1.00 . A A . 19 ALA HB1 1 1 13 14957 1 1 19 ALA HB2 H 1.627 -0.995 -10.002 1.00 . A A . 19 ALA HB2 1 1 13 14958 1 1 19 ALA HB3 H 1.042 -1.323 -11.631 1.00 . A A . 19 ALA HB3 1 1 13 14959 1 1 19 ALA N N 2.915 1.367 -10.873 1.00 . A A . 19 ALA N 1 1 13 14960 1 1 19 ALA O O -0.523 1.552 -11.193 1.00 . A A . 19 ALA O 1 1 13 14961 1 1 20 HIS C C -0.813 3.368 -9.034 1.00 . A A . 20 HIS C 1 1 13 14962 1 1 20 HIS CA C -0.569 1.955 -8.488 1.00 . A A . 20 HIS CA 1 1 13 14963 1 1 20 HIS CB C -0.279 1.945 -6.978 1.00 . A A . 20 HIS CB 1 1 13 14964 1 1 20 HIS CD2 C -1.500 0.455 -5.250 1.00 . A A . 20 HIS CD2 1 1 13 14965 1 1 20 HIS CE1 C -0.978 -1.509 -6.039 1.00 . A A . 20 HIS CE1 1 1 13 14966 1 1 20 HIS CG C -0.652 0.640 -6.315 1.00 . A A . 20 HIS CG 1 1 13 14967 1 1 20 HIS H H 1.380 1.119 -8.745 1.00 . A A . 20 HIS H 1 1 13 14968 1 1 20 HIS HA H -1.486 1.388 -8.658 1.00 . A A . 20 HIS HA 1 1 13 14969 1 1 20 HIS HB2 H 0.775 2.154 -6.792 1.00 . A A . 20 HIS HB2 1 1 13 14970 1 1 20 HIS HB3 H -0.854 2.742 -6.517 1.00 . A A . 20 HIS HB3 1 1 13 14971 1 1 20 HIS HD1 H 0.221 -0.785 -7.622 1.00 . A A . 20 HIS HD1 1 1 13 14972 1 1 20 HIS HD2 H -1.987 1.231 -4.690 1.00 . A A . 20 HIS HD2 1 1 13 14973 1 1 20 HIS HE1 H -0.937 -2.569 -6.215 1.00 . A A . 20 HIS HE1 1 1 13 14974 1 1 20 HIS N N 0.517 1.320 -9.227 1.00 . A A . 20 HIS N 1 1 13 14975 1 1 20 HIS ND1 N -0.340 -0.603 -6.803 1.00 . A A . 20 HIS ND1 1 1 13 14976 1 1 20 HIS NE2 N -1.706 -0.920 -5.073 1.00 . A A . 20 HIS NE2 1 1 13 14977 1 1 20 HIS O O -1.937 3.851 -9.062 1.00 . A A . 20 HIS O 1 1 13 14978 1 1 21 ALA C C -0.712 5.381 -11.340 1.00 . A A . 21 ALA C 1 1 13 14979 1 1 21 ALA CA C 0.086 5.392 -10.032 1.00 . A A . 21 ALA CA 1 1 13 14980 1 1 21 ALA CB C 1.459 6.053 -10.177 1.00 . A A . 21 ALA CB 1 1 13 14981 1 1 21 ALA H H 1.124 3.550 -9.543 1.00 . A A . 21 ALA H 1 1 13 14982 1 1 21 ALA HA H -0.474 5.985 -9.307 1.00 . A A . 21 ALA HA 1 1 13 14983 1 1 21 ALA HB1 H 2.038 5.891 -9.267 1.00 . A A . 21 ALA HB1 1 1 13 14984 1 1 21 ALA HB2 H 2.010 5.651 -11.021 1.00 . A A . 21 ALA HB2 1 1 13 14985 1 1 21 ALA HB3 H 1.323 7.118 -10.346 1.00 . A A . 21 ALA HB3 1 1 13 14986 1 1 21 ALA N N 0.228 4.039 -9.513 1.00 . A A . 21 ALA N 1 1 13 14987 1 1 21 ALA O O -1.754 6.007 -11.452 1.00 . A A . 21 ALA O 1 1 13 14988 1 1 22 GLU C C -2.246 3.986 -13.603 1.00 . A A . 22 GLU C 1 1 13 14989 1 1 22 GLU CA C -0.829 4.569 -13.665 1.00 . A A . 22 GLU CA 1 1 13 14990 1 1 22 GLU CB C 0.118 3.843 -14.643 1.00 . A A . 22 GLU CB 1 1 13 14991 1 1 22 GLU CD C 1.651 1.757 -14.780 1.00 . A A . 22 GLU CD 1 1 13 14992 1 1 22 GLU CG C 0.336 2.365 -14.301 1.00 . A A . 22 GLU CG 1 1 13 14993 1 1 22 GLU H H 0.534 4.054 -12.078 1.00 . A A . 22 GLU H 1 1 13 14994 1 1 22 GLU HA H -0.922 5.595 -14.025 1.00 . A A . 22 GLU HA 1 1 13 14995 1 1 22 GLU HB2 H -0.284 3.902 -15.654 1.00 . A A . 22 GLU HB2 1 1 13 14996 1 1 22 GLU HB3 H 1.077 4.361 -14.619 1.00 . A A . 22 GLU HB3 1 1 13 14997 1 1 22 GLU HG2 H 0.361 2.295 -13.227 1.00 . A A . 22 GLU HG2 1 1 13 14998 1 1 22 GLU HG3 H -0.497 1.769 -14.669 1.00 . A A . 22 GLU HG3 1 1 13 14999 1 1 22 GLU N N -0.244 4.634 -12.329 1.00 . A A . 22 GLU N 1 1 13 15000 1 1 22 GLU O O -3.152 4.490 -14.260 1.00 . A A . 22 GLU O 1 1 13 15001 1 1 22 GLU OE1 O 2.644 2.486 -15.004 1.00 . A A . 22 GLU OE1 1 1 13 15002 1 1 22 GLU OE2 O 1.744 0.509 -14.790 1.00 . A A . 22 GLU OE2 1 1 13 15003 1 1 23 LYS C C -4.665 3.419 -11.826 1.00 . A A . 23 LYS C 1 1 13 15004 1 1 23 LYS CA C -3.748 2.387 -12.489 1.00 . A A . 23 LYS CA 1 1 13 15005 1 1 23 LYS CB C -3.549 1.193 -11.550 1.00 . A A . 23 LYS CB 1 1 13 15006 1 1 23 LYS CD C -3.699 -0.753 -13.116 1.00 . A A . 23 LYS CD 1 1 13 15007 1 1 23 LYS CE C -3.047 -2.079 -13.531 1.00 . A A . 23 LYS CE 1 1 13 15008 1 1 23 LYS CG C -2.774 0.040 -12.202 1.00 . A A . 23 LYS CG 1 1 13 15009 1 1 23 LYS H H -1.657 2.499 -12.334 1.00 . A A . 23 LYS H 1 1 13 15010 1 1 23 LYS HA H -4.222 2.058 -13.414 1.00 . A A . 23 LYS HA 1 1 13 15011 1 1 23 LYS HB2 H -2.986 1.523 -10.679 1.00 . A A . 23 LYS HB2 1 1 13 15012 1 1 23 LYS HB3 H -4.516 0.835 -11.193 1.00 . A A . 23 LYS HB3 1 1 13 15013 1 1 23 LYS HD2 H -4.606 -0.947 -12.545 1.00 . A A . 23 LYS HD2 1 1 13 15014 1 1 23 LYS HD3 H -3.934 -0.138 -13.985 1.00 . A A . 23 LYS HD3 1 1 13 15015 1 1 23 LYS HE2 H -2.347 -1.906 -14.350 1.00 . A A . 23 LYS HE2 1 1 13 15016 1 1 23 LYS HE3 H -2.500 -2.494 -12.682 1.00 . A A . 23 LYS HE3 1 1 13 15017 1 1 23 LYS HG2 H -1.916 0.396 -12.777 1.00 . A A . 23 LYS HG2 1 1 13 15018 1 1 23 LYS HG3 H -2.426 -0.603 -11.390 1.00 . A A . 23 LYS HG3 1 1 13 15019 1 1 23 LYS HZ1 H -4.637 -3.261 -13.084 1.00 . A A . 23 LYS HZ1 1 1 13 15020 1 1 23 LYS HZ2 H -4.658 -2.744 -14.651 1.00 . A A . 23 LYS HZ2 1 1 13 15021 1 1 23 LYS HZ3 H -3.630 -3.950 -14.161 1.00 . A A . 23 LYS HZ3 1 1 13 15022 1 1 23 LYS N N -2.445 2.942 -12.791 1.00 . A A . 23 LYS N 1 1 13 15023 1 1 23 LYS NZ N -4.064 -3.076 -13.909 1.00 . A A . 23 LYS NZ 1 1 13 15024 1 1 23 LYS O O -5.777 3.644 -12.297 1.00 . A A . 23 LYS O 1 1 13 15025 1 1 24 LEU C C -5.126 6.170 -10.043 1.00 . A A . 24 LEU C 1 1 13 15026 1 1 24 LEU CA C -5.132 4.664 -9.770 1.00 . A A . 24 LEU CA 1 1 13 15027 1 1 24 LEU CB C -4.784 4.324 -8.310 1.00 . A A . 24 LEU CB 1 1 13 15028 1 1 24 LEU CD1 C -3.920 2.583 -6.694 1.00 . A A . 24 LEU CD1 1 1 13 15029 1 1 24 LEU CD2 C -5.812 1.980 -8.251 1.00 . A A . 24 LEU CD2 1 1 13 15030 1 1 24 LEU CG C -4.546 2.817 -8.070 1.00 . A A . 24 LEU CG 1 1 13 15031 1 1 24 LEU H H -3.294 3.789 -10.362 1.00 . A A . 24 LEU H 1 1 13 15032 1 1 24 LEU HA H -6.152 4.313 -9.932 1.00 . A A . 24 LEU HA 1 1 13 15033 1 1 24 LEU HB2 H -3.892 4.881 -8.022 1.00 . A A . 24 LEU HB2 1 1 13 15034 1 1 24 LEU HB3 H -5.599 4.660 -7.670 1.00 . A A . 24 LEU HB3 1 1 13 15035 1 1 24 LEU HD11 H -4.579 2.905 -5.900 1.00 . A A . 24 LEU HD11 1 1 13 15036 1 1 24 LEU HD12 H -3.699 1.523 -6.571 1.00 . A A . 24 LEU HD12 1 1 13 15037 1 1 24 LEU HD13 H -3.000 3.154 -6.615 1.00 . A A . 24 LEU HD13 1 1 13 15038 1 1 24 LEU HD21 H -6.603 2.326 -7.592 1.00 . A A . 24 LEU HD21 1 1 13 15039 1 1 24 LEU HD22 H -6.151 2.043 -9.284 1.00 . A A . 24 LEU HD22 1 1 13 15040 1 1 24 LEU HD23 H -5.578 0.939 -8.027 1.00 . A A . 24 LEU HD23 1 1 13 15041 1 1 24 LEU HG H -3.829 2.417 -8.779 1.00 . A A . 24 LEU HG 1 1 13 15042 1 1 24 LEU N N -4.238 3.973 -10.687 1.00 . A A . 24 LEU N 1 1 13 15043 1 1 24 LEU O O -6.195 6.768 -10.140 1.00 . A A . 24 LEU O 1 1 13 15044 1 1 25 GLY C C -2.519 8.689 -9.982 1.00 . A A . 25 GLY C 1 1 13 15045 1 1 25 GLY CA C -3.801 8.163 -10.608 1.00 . A A . 25 GLY CA 1 1 13 15046 1 1 25 GLY H H -3.061 6.275 -10.182 1.00 . A A . 25 GLY H 1 1 13 15047 1 1 25 GLY HA2 H -3.717 8.200 -11.695 1.00 . A A . 25 GLY HA2 1 1 13 15048 1 1 25 GLY HA3 H -4.650 8.773 -10.295 1.00 . A A . 25 GLY HA3 1 1 13 15049 1 1 25 GLY N N -3.945 6.783 -10.195 1.00 . A A . 25 GLY N 1 1 13 15050 1 1 25 GLY O O -1.447 8.629 -10.583 1.00 . A A . 25 GLY O 1 1 13 15051 1 1 26 CYS C C -2.118 10.212 -6.628 1.00 . A A . 26 CYS C 1 1 13 15052 1 1 26 CYS CA C -1.537 9.742 -7.956 1.00 . A A . 26 CYS CA 1 1 13 15053 1 1 26 CYS CB C -0.867 10.904 -8.675 1.00 . A A . 26 CYS CB 1 1 13 15054 1 1 26 CYS H H -3.584 9.155 -8.356 1.00 . A A . 26 CYS H 1 1 13 15055 1 1 26 CYS HA H -0.825 8.945 -7.756 1.00 . A A . 26 CYS HA 1 1 13 15056 1 1 26 CYS HB2 H -0.834 10.778 -9.753 1.00 . A A . 26 CYS HB2 1 1 13 15057 1 1 26 CYS HB3 H -1.408 11.832 -8.486 1.00 . A A . 26 CYS HB3 1 1 13 15058 1 1 26 CYS N N -2.635 9.178 -8.750 1.00 . A A . 26 CYS N 1 1 13 15059 1 1 26 CYS O O -1.700 9.797 -5.544 1.00 . A A . 26 CYS O 1 1 13 15060 1 1 26 CYS SG S 0.840 11.119 -8.112 1.00 . A A . 26 CYS SG 1 1 13 15061 1 1 27 ASP C C -4.458 10.353 -4.797 1.00 . A A . 27 ASP C 1 1 13 15062 1 1 27 ASP CA C -4.174 11.438 -5.829 1.00 . A A . 27 ASP CA 1 1 13 15063 1 1 27 ASP CB C -5.455 11.769 -6.616 1.00 . A A . 27 ASP CB 1 1 13 15064 1 1 27 ASP CG C -5.989 10.609 -7.468 1.00 . A A . 27 ASP CG 1 1 13 15065 1 1 27 ASP H H -3.520 10.973 -7.743 1.00 . A A . 27 ASP H 1 1 13 15066 1 1 27 ASP HA H -3.826 12.337 -5.318 1.00 . A A . 27 ASP HA 1 1 13 15067 1 1 27 ASP HB2 H -6.222 12.068 -5.899 1.00 . A A . 27 ASP HB2 1 1 13 15068 1 1 27 ASP HB3 H -5.261 12.616 -7.274 1.00 . A A . 27 ASP HB3 1 1 13 15069 1 1 27 ASP N N -3.169 11.012 -6.792 1.00 . A A . 27 ASP N 1 1 13 15070 1 1 27 ASP O O -4.516 10.624 -3.601 1.00 . A A . 27 ASP O 1 1 13 15071 1 1 27 ASP OD1 O -5.160 9.752 -7.872 1.00 . A A . 27 ASP OD1 1 1 13 15072 1 1 27 ASP OD2 O -7.215 10.598 -7.694 1.00 . A A . 27 ASP OD2 1 1 13 15073 1 1 28 ALA C C -3.957 7.886 -3.246 1.00 . A A . 28 ALA C 1 1 13 15074 1 1 28 ALA CA C -4.758 7.887 -4.550 1.00 . A A . 28 ALA CA 1 1 13 15075 1 1 28 ALA CB C -4.313 6.735 -5.453 1.00 . A A . 28 ALA CB 1 1 13 15076 1 1 28 ALA H H -4.627 9.081 -6.311 1.00 . A A . 28 ALA H 1 1 13 15077 1 1 28 ALA HA H -5.814 7.764 -4.316 1.00 . A A . 28 ALA HA 1 1 13 15078 1 1 28 ALA HB1 H -4.990 6.656 -6.305 1.00 . A A . 28 ALA HB1 1 1 13 15079 1 1 28 ALA HB2 H -3.302 6.917 -5.818 1.00 . A A . 28 ALA HB2 1 1 13 15080 1 1 28 ALA HB3 H -4.319 5.800 -4.896 1.00 . A A . 28 ALA HB3 1 1 13 15081 1 1 28 ALA N N -4.609 9.124 -5.294 1.00 . A A . 28 ALA N 1 1 13 15082 1 1 28 ALA O O -4.463 7.439 -2.219 1.00 . A A . 28 ALA O 1 1 13 15083 1 1 29 CYS C C -1.142 9.701 -1.914 1.00 . A A . 29 CYS C 1 1 13 15084 1 1 29 CYS CA C -1.777 8.332 -2.183 1.00 . A A . 29 CYS CA 1 1 13 15085 1 1 29 CYS CB C -0.713 7.301 -2.444 1.00 . A A . 29 CYS CB 1 1 13 15086 1 1 29 CYS H H -2.383 8.700 -4.206 1.00 . A A . 29 CYS H 1 1 13 15087 1 1 29 CYS HA H -2.300 8.041 -1.271 1.00 . A A . 29 CYS HA 1 1 13 15088 1 1 29 CYS HB2 H -0.100 7.657 -3.271 1.00 . A A . 29 CYS HB2 1 1 13 15089 1 1 29 CYS HB3 H -0.086 7.188 -1.559 1.00 . A A . 29 CYS HB3 1 1 13 15090 1 1 29 CYS N N -2.705 8.354 -3.308 1.00 . A A . 29 CYS N 1 1 13 15091 1 1 29 CYS O O -0.834 10.008 -0.764 1.00 . A A . 29 CYS O 1 1 13 15092 1 1 29 CYS SG S -1.464 5.693 -2.867 1.00 . A A . 29 CYS SG 1 1 13 15093 1 1 30 HIS C C -1.098 12.886 -3.403 1.00 . A A . 30 HIS C 1 1 13 15094 1 1 30 HIS CA C -0.205 11.783 -2.849 1.00 . A A . 30 HIS CA 1 1 13 15095 1 1 30 HIS CB C 1.082 11.747 -3.675 1.00 . A A . 30 HIS CB 1 1 13 15096 1 1 30 HIS CD2 C 2.374 9.615 -4.058 1.00 . A A . 30 HIS CD2 1 1 13 15097 1 1 30 HIS CE1 C 3.957 9.817 -2.578 1.00 . A A . 30 HIS CE1 1 1 13 15098 1 1 30 HIS CG C 2.063 10.684 -3.280 1.00 . A A . 30 HIS CG 1 1 13 15099 1 1 30 HIS H H -1.236 10.257 -3.876 1.00 . A A . 30 HIS H 1 1 13 15100 1 1 30 HIS HA H 0.071 12.013 -1.818 1.00 . A A . 30 HIS HA 1 1 13 15101 1 1 30 HIS HB2 H 0.813 11.600 -4.724 1.00 . A A . 30 HIS HB2 1 1 13 15102 1 1 30 HIS HB3 H 1.572 12.716 -3.600 1.00 . A A . 30 HIS HB3 1 1 13 15103 1 1 30 HIS HD1 H 3.119 11.571 -1.679 1.00 . A A . 30 HIS HD1 1 1 13 15104 1 1 30 HIS HD2 H 1.848 9.305 -4.937 1.00 . A A . 30 HIS HD2 1 1 13 15105 1 1 30 HIS HE1 H 4.896 9.654 -2.074 1.00 . A A . 30 HIS HE1 1 1 13 15106 1 1 30 HIS N N -0.903 10.511 -2.952 1.00 . A A . 30 HIS N 1 1 13 15107 1 1 30 HIS ND1 N 3.053 10.802 -2.338 1.00 . A A . 30 HIS ND1 1 1 13 15108 1 1 30 HIS NE2 N 3.581 9.077 -3.629 1.00 . A A . 30 HIS NE2 1 1 13 15109 1 1 30 HIS O O -1.324 12.936 -4.609 1.00 . A A . 30 HIS O 1 1 13 15110 1 1 31 GLU C C -1.418 15.895 -3.800 1.00 . A A . 31 GLU C 1 1 13 15111 1 1 31 GLU CA C -2.307 14.966 -2.982 1.00 . A A . 31 GLU CA 1 1 13 15112 1 1 31 GLU CB C -2.871 15.697 -1.752 1.00 . A A . 31 GLU CB 1 1 13 15113 1 1 31 GLU CD C -4.654 15.581 -0.003 1.00 . A A . 31 GLU CD 1 1 13 15114 1 1 31 GLU CG C -3.910 14.816 -1.086 1.00 . A A . 31 GLU CG 1 1 13 15115 1 1 31 GLU H H -1.343 13.689 -1.564 1.00 . A A . 31 GLU H 1 1 13 15116 1 1 31 GLU HA H -3.130 14.643 -3.623 1.00 . A A . 31 GLU HA 1 1 13 15117 1 1 31 GLU HB2 H -2.131 15.933 -0.988 1.00 . A A . 31 GLU HB2 1 1 13 15118 1 1 31 GLU HB3 H -3.360 16.619 -2.074 1.00 . A A . 31 GLU HB3 1 1 13 15119 1 1 31 GLU HG2 H -4.575 14.533 -1.890 1.00 . A A . 31 GLU HG2 1 1 13 15120 1 1 31 GLU HG3 H -3.463 13.921 -0.654 1.00 . A A . 31 GLU HG3 1 1 13 15121 1 1 31 GLU N N -1.544 13.805 -2.547 1.00 . A A . 31 GLU N 1 1 13 15122 1 1 31 GLU O O -1.554 16.035 -5.012 1.00 . A A . 31 GLU O 1 1 13 15123 1 1 31 GLU OE1 O -4.046 15.753 1.075 1.00 . A A . 31 GLU OE1 1 1 13 15124 1 1 31 GLU OE2 O -5.791 16.014 -0.286 1.00 . A A . 31 GLU OE2 1 1 13 15125 1 1 32 GLY C C 1.764 17.515 -2.918 1.00 . A A . 32 GLY C 1 1 13 15126 1 1 32 GLY CA C 0.413 17.529 -3.629 1.00 . A A . 32 GLY CA 1 1 13 15127 1 1 32 GLY H H -0.585 16.388 -2.089 1.00 . A A . 32 GLY H 1 1 13 15128 1 1 32 GLY HA2 H 0.596 17.334 -4.686 1.00 . A A . 32 GLY HA2 1 1 13 15129 1 1 32 GLY HA3 H -0.032 18.520 -3.530 1.00 . A A . 32 GLY HA3 1 1 13 15130 1 1 32 GLY N N -0.509 16.544 -3.082 1.00 . A A . 32 GLY N 1 1 13 15131 1 1 32 GLY O O 2.409 18.554 -2.811 1.00 . A A . 32 GLY O 1 1 13 15132 1 1 33 THR C C 3.914 14.692 -1.840 1.00 . A A . 33 THR C 1 1 13 15133 1 1 33 THR CA C 3.528 16.182 -1.852 1.00 . A A . 33 THR CA 1 1 13 15134 1 1 33 THR CB C 3.611 16.854 -0.467 1.00 . A A . 33 THR CB 1 1 13 15135 1 1 33 THR CG2 C 2.588 16.339 0.552 1.00 . A A . 33 THR CG2 1 1 13 15136 1 1 33 THR H H 1.629 15.523 -2.535 1.00 . A A . 33 THR H 1 1 13 15137 1 1 33 THR HA H 4.236 16.735 -2.468 1.00 . A A . 33 THR HA 1 1 13 15138 1 1 33 THR HB H 3.442 17.926 -0.590 1.00 . A A . 33 THR HB 1 1 13 15139 1 1 33 THR HG1 H 4.975 17.144 0.897 1.00 . A A . 33 THR HG1 1 1 13 15140 1 1 33 THR HG21 H 2.662 16.928 1.466 1.00 . A A . 33 THR HG21 1 1 13 15141 1 1 33 THR HG22 H 1.578 16.439 0.157 1.00 . A A . 33 THR HG22 1 1 13 15142 1 1 33 THR HG23 H 2.780 15.295 0.794 1.00 . A A . 33 THR HG23 1 1 13 15143 1 1 33 THR N N 2.204 16.347 -2.440 1.00 . A A . 33 THR N 1 1 13 15144 1 1 33 THR O O 3.191 13.867 -1.273 1.00 . A A . 33 THR O 1 1 13 15145 1 1 33 THR OG1 O 4.915 16.695 0.050 1.00 . A A . 33 THR OG1 1 1 13 15146 1 1 34 PRO C C 6.793 13.087 -1.391 1.00 . A A . 34 PRO C 1 1 13 15147 1 1 34 PRO CA C 5.621 13.007 -2.368 1.00 . A A . 34 PRO CA 1 1 13 15148 1 1 34 PRO CB C 5.969 12.561 -3.784 1.00 . A A . 34 PRO CB 1 1 13 15149 1 1 34 PRO CD C 5.569 14.977 -3.678 1.00 . A A . 34 PRO CD 1 1 13 15150 1 1 34 PRO CG C 6.106 13.861 -4.582 1.00 . A A . 34 PRO CG 1 1 13 15151 1 1 34 PRO HA H 4.950 12.281 -1.940 1.00 . A A . 34 PRO HA 1 1 13 15152 1 1 34 PRO HB2 H 6.853 11.935 -3.814 1.00 . A A . 34 PRO HB2 1 1 13 15153 1 1 34 PRO HB3 H 5.122 11.999 -4.185 1.00 . A A . 34 PRO HB3 1 1 13 15154 1 1 34 PRO HD2 H 6.379 15.639 -3.364 1.00 . A A . 34 PRO HD2 1 1 13 15155 1 1 34 PRO HD3 H 4.817 15.542 -4.231 1.00 . A A . 34 PRO HD3 1 1 13 15156 1 1 34 PRO HG2 H 7.142 14.053 -4.856 1.00 . A A . 34 PRO HG2 1 1 13 15157 1 1 34 PRO HG3 H 5.484 13.780 -5.473 1.00 . A A . 34 PRO HG3 1 1 13 15158 1 1 34 PRO N N 5.007 14.308 -2.519 1.00 . A A . 34 PRO N 1 1 13 15159 1 1 34 PRO O O 6.564 13.042 -0.188 1.00 . A A . 34 PRO O 1 1 13 15160 1 1 35 ALA C C 9.279 12.108 -0.010 1.00 . A A . 35 ALA C 1 1 13 15161 1 1 35 ALA CA C 9.240 13.226 -1.064 1.00 . A A . 35 ALA CA 1 1 13 15162 1 1 35 ALA CB C 9.393 14.620 -0.443 1.00 . A A . 35 ALA CB 1 1 13 15163 1 1 35 ALA H H 8.144 13.259 -2.885 1.00 . A A . 35 ALA H 1 1 13 15164 1 1 35 ALA HA H 10.090 13.070 -1.729 1.00 . A A . 35 ALA HA 1 1 13 15165 1 1 35 ALA HB1 H 10.350 14.689 0.077 1.00 . A A . 35 ALA HB1 1 1 13 15166 1 1 35 ALA HB2 H 9.363 15.379 -1.225 1.00 . A A . 35 ALA HB2 1 1 13 15167 1 1 35 ALA HB3 H 8.589 14.806 0.269 1.00 . A A . 35 ALA HB3 1 1 13 15168 1 1 35 ALA N N 8.032 13.184 -1.886 1.00 . A A . 35 ALA N 1 1 13 15169 1 1 35 ALA O O 9.685 12.340 1.126 1.00 . A A . 35 ALA O 1 1 13 15170 1 1 36 LYS C C 7.609 9.741 1.354 1.00 . A A . 36 LYS C 1 1 13 15171 1 1 36 LYS CA C 8.792 9.683 0.383 1.00 . A A . 36 LYS CA 1 1 13 15172 1 1 36 LYS CB C 10.111 9.321 1.100 1.00 . A A . 36 LYS CB 1 1 13 15173 1 1 36 LYS CD C 11.477 7.212 1.573 1.00 . A A . 36 LYS CD 1 1 13 15174 1 1 36 LYS CE C 10.446 6.697 2.598 1.00 . A A . 36 LYS CE 1 1 13 15175 1 1 36 LYS CG C 10.804 8.084 0.502 1.00 . A A . 36 LYS CG 1 1 13 15176 1 1 36 LYS H H 8.602 10.818 -1.385 1.00 . A A . 36 LYS H 1 1 13 15177 1 1 36 LYS HA H 8.540 8.893 -0.314 1.00 . A A . 36 LYS HA 1 1 13 15178 1 1 36 LYS HB2 H 10.827 10.141 1.066 1.00 . A A . 36 LYS HB2 1 1 13 15179 1 1 36 LYS HB3 H 9.885 9.151 2.151 1.00 . A A . 36 LYS HB3 1 1 13 15180 1 1 36 LYS HD2 H 11.940 6.376 1.042 1.00 . A A . 36 LYS HD2 1 1 13 15181 1 1 36 LYS HD3 H 12.261 7.781 2.076 1.00 . A A . 36 LYS HD3 1 1 13 15182 1 1 36 LYS HE2 H 10.466 7.297 3.510 1.00 . A A . 36 LYS HE2 1 1 13 15183 1 1 36 LYS HE3 H 9.447 6.781 2.165 1.00 . A A . 36 LYS HE3 1 1 13 15184 1 1 36 LYS HG2 H 10.108 7.449 -0.042 1.00 . A A . 36 LYS HG2 1 1 13 15185 1 1 36 LYS HG3 H 11.549 8.416 -0.224 1.00 . A A . 36 LYS HG3 1 1 13 15186 1 1 36 LYS HZ1 H 10.828 4.750 2.065 1.00 . A A . 36 LYS HZ1 1 1 13 15187 1 1 36 LYS HZ2 H 11.303 5.078 3.641 1.00 . A A . 36 LYS HZ2 1 1 13 15188 1 1 36 LYS HZ3 H 9.705 4.873 3.144 1.00 . A A . 36 LYS HZ3 1 1 13 15189 1 1 36 LYS N N 8.905 10.891 -0.429 1.00 . A A . 36 LYS N 1 1 13 15190 1 1 36 LYS NZ N 10.624 5.270 2.924 1.00 . A A . 36 LYS NZ 1 1 13 15191 1 1 36 LYS O O 7.368 10.765 1.985 1.00 . A A . 36 LYS O 1 1 13 15192 1 1 37 ILE C C 6.582 7.674 3.667 1.00 . A A . 37 ILE C 1 1 13 15193 1 1 37 ILE CA C 5.901 8.476 2.553 1.00 . A A . 37 ILE CA 1 1 13 15194 1 1 37 ILE CB C 4.554 7.878 2.052 1.00 . A A . 37 ILE CB 1 1 13 15195 1 1 37 ILE CD1 C 2.775 8.000 0.213 1.00 . A A . 37 ILE CD1 1 1 13 15196 1 1 37 ILE CG1 C 4.160 8.448 0.699 1.00 . A A . 37 ILE CG1 1 1 13 15197 1 1 37 ILE CG2 C 3.419 8.196 3.048 1.00 . A A . 37 ILE CG2 1 1 13 15198 1 1 37 ILE H H 7.131 7.787 0.971 1.00 . A A . 37 ILE H 1 1 13 15199 1 1 37 ILE HA H 5.658 9.452 2.976 1.00 . A A . 37 ILE HA 1 1 13 15200 1 1 37 ILE HB H 4.640 6.809 1.852 1.00 . A A . 37 ILE HB 1 1 13 15201 1 1 37 ILE HD11 H 2.659 8.231 -0.844 1.00 . A A . 37 ILE HD11 1 1 13 15202 1 1 37 ILE HD12 H 2.656 6.926 0.347 1.00 . A A . 37 ILE HD12 1 1 13 15203 1 1 37 ILE HD13 H 1.990 8.524 0.759 1.00 . A A . 37 ILE HD13 1 1 13 15204 1 1 37 ILE HG12 H 4.208 9.528 0.765 1.00 . A A . 37 ILE HG12 1 1 13 15205 1 1 37 ILE HG13 H 4.906 8.072 0.014 1.00 . A A . 37 ILE HG13 1 1 13 15206 1 1 37 ILE HG21 H 3.172 9.256 2.993 1.00 . A A . 37 ILE HG21 1 1 13 15207 1 1 37 ILE HG22 H 2.533 7.617 2.802 1.00 . A A . 37 ILE HG22 1 1 13 15208 1 1 37 ILE HG23 H 3.685 7.974 4.080 1.00 . A A . 37 ILE HG23 1 1 13 15209 1 1 37 ILE N N 6.879 8.624 1.483 1.00 . A A . 37 ILE N 1 1 13 15210 1 1 37 ILE O O 7.737 7.919 4.016 1.00 . A A . 37 ILE O 1 1 13 15211 1 1 38 ALA C C 4.856 5.092 5.658 1.00 . A A . 38 ALA C 1 1 13 15212 1 1 38 ALA CA C 6.083 5.976 5.437 1.00 . A A . 38 ALA CA 1 1 13 15213 1 1 38 ALA CB C 6.276 6.950 6.606 1.00 . A A . 38 ALA CB 1 1 13 15214 1 1 38 ALA H H 4.985 6.547 3.702 1.00 . A A . 38 ALA H 1 1 13 15215 1 1 38 ALA HA H 6.968 5.346 5.344 1.00 . A A . 38 ALA HA 1 1 13 15216 1 1 38 ALA HB1 H 7.194 7.523 6.483 1.00 . A A . 38 ALA HB1 1 1 13 15217 1 1 38 ALA HB2 H 5.427 7.634 6.661 1.00 . A A . 38 ALA HB2 1 1 13 15218 1 1 38 ALA HB3 H 6.343 6.387 7.539 1.00 . A A . 38 ALA HB3 1 1 13 15219 1 1 38 ALA N N 5.848 6.704 4.195 1.00 . A A . 38 ALA N 1 1 13 15220 1 1 38 ALA O O 4.066 5.285 6.591 1.00 . A A . 38 ALA O 1 1 13 15221 1 1 39 ILE C C 3.940 2.075 5.656 1.00 . A A . 39 ILE C 1 1 13 15222 1 1 39 ILE CA C 3.503 3.270 4.832 1.00 . A A . 39 ILE CA 1 1 13 15223 1 1 39 ILE CB C 2.848 2.985 3.489 1.00 . A A . 39 ILE CB 1 1 13 15224 1 1 39 ILE CD1 C 1.434 5.155 3.760 1.00 . A A . 39 ILE CD1 1 1 13 15225 1 1 39 ILE CG1 C 2.372 4.316 2.882 1.00 . A A . 39 ILE CG1 1 1 13 15226 1 1 39 ILE CG2 C 1.665 2.038 3.714 1.00 . A A . 39 ILE CG2 1 1 13 15227 1 1 39 ILE H H 5.310 3.999 3.988 1.00 . A A . 39 ILE H 1 1 13 15228 1 1 39 ILE HA H 2.720 3.753 5.405 1.00 . A A . 39 ILE HA 1 1 13 15229 1 1 39 ILE HB H 3.559 2.519 2.805 1.00 . A A . 39 ILE HB 1 1 13 15230 1 1 39 ILE HD11 H 0.684 4.523 4.229 1.00 . A A . 39 ILE HD11 1 1 13 15231 1 1 39 ILE HD12 H 1.998 5.682 4.531 1.00 . A A . 39 ILE HD12 1 1 13 15232 1 1 39 ILE HD13 H 0.927 5.893 3.138 1.00 . A A . 39 ILE HD13 1 1 13 15233 1 1 39 ILE HG12 H 3.230 4.931 2.609 1.00 . A A . 39 ILE HG12 1 1 13 15234 1 1 39 ILE HG13 H 1.832 4.072 1.982 1.00 . A A . 39 ILE HG13 1 1 13 15235 1 1 39 ILE HG21 H 1.178 2.237 4.667 1.00 . A A . 39 ILE HG21 1 1 13 15236 1 1 39 ILE HG22 H 0.927 2.173 2.930 1.00 . A A . 39 ILE HG22 1 1 13 15237 1 1 39 ILE HG23 H 2.021 1.006 3.708 1.00 . A A . 39 ILE HG23 1 1 13 15238 1 1 39 ILE N N 4.627 4.173 4.716 1.00 . A A . 39 ILE N 1 1 13 15239 1 1 39 ILE O O 4.280 1.004 5.161 1.00 . A A . 39 ILE O 1 1 13 15240 1 1 40 ASP C C 3.181 0.675 8.493 1.00 . A A . 40 ASP C 1 1 13 15241 1 1 40 ASP CA C 4.382 1.479 8.018 1.00 . A A . 40 ASP CA 1 1 13 15242 1 1 40 ASP CB C 4.903 2.313 9.200 1.00 . A A . 40 ASP CB 1 1 13 15243 1 1 40 ASP CG C 5.958 3.369 8.870 1.00 . A A . 40 ASP CG 1 1 13 15244 1 1 40 ASP H H 3.569 3.262 7.173 1.00 . A A . 40 ASP H 1 1 13 15245 1 1 40 ASP HA H 5.179 0.829 7.655 1.00 . A A . 40 ASP HA 1 1 13 15246 1 1 40 ASP HB2 H 4.062 2.820 9.670 1.00 . A A . 40 ASP HB2 1 1 13 15247 1 1 40 ASP HB3 H 5.345 1.637 9.931 1.00 . A A . 40 ASP HB3 1 1 13 15248 1 1 40 ASP N N 3.915 2.342 6.951 1.00 . A A . 40 ASP N 1 1 13 15249 1 1 40 ASP O O 2.044 1.031 8.191 1.00 . A A . 40 ASP O 1 1 13 15250 1 1 40 ASP OD1 O 6.453 3.393 7.722 1.00 . A A . 40 ASP OD1 1 1 13 15251 1 1 40 ASP OD2 O 6.241 4.151 9.802 1.00 . A A . 40 ASP OD2 1 1 13 15252 1 1 41 LYS C C 1.259 -0.248 10.536 1.00 . A A . 41 LYS C 1 1 13 15253 1 1 41 LYS CA C 2.391 -1.118 9.996 1.00 . A A . 41 LYS CA 1 1 13 15254 1 1 41 LYS CB C 3.053 -1.924 11.118 1.00 . A A . 41 LYS CB 1 1 13 15255 1 1 41 LYS CD C 4.745 -2.119 12.970 1.00 . A A . 41 LYS CD 1 1 13 15256 1 1 41 LYS CE C 6.016 -1.496 13.562 1.00 . A A . 41 LYS CE 1 1 13 15257 1 1 41 LYS CG C 4.029 -1.148 12.021 1.00 . A A . 41 LYS CG 1 1 13 15258 1 1 41 LYS H H 4.371 -0.683 9.406 1.00 . A A . 41 LYS H 1 1 13 15259 1 1 41 LYS HA H 1.969 -1.808 9.266 1.00 . A A . 41 LYS HA 1 1 13 15260 1 1 41 LYS HB2 H 2.277 -2.377 11.726 1.00 . A A . 41 LYS HB2 1 1 13 15261 1 1 41 LYS HB3 H 3.614 -2.710 10.624 1.00 . A A . 41 LYS HB3 1 1 13 15262 1 1 41 LYS HD2 H 4.057 -2.445 13.752 1.00 . A A . 41 LYS HD2 1 1 13 15263 1 1 41 LYS HD3 H 5.041 -2.986 12.388 1.00 . A A . 41 LYS HD3 1 1 13 15264 1 1 41 LYS HE2 H 6.578 -0.997 12.769 1.00 . A A . 41 LYS HE2 1 1 13 15265 1 1 41 LYS HE3 H 5.743 -0.755 14.316 1.00 . A A . 41 LYS HE3 1 1 13 15266 1 1 41 LYS HG2 H 4.785 -0.666 11.399 1.00 . A A . 41 LYS HG2 1 1 13 15267 1 1 41 LYS HG3 H 3.505 -0.392 12.601 1.00 . A A . 41 LYS HG3 1 1 13 15268 1 1 41 LYS HZ1 H 7.727 -2.084 14.534 1.00 . A A . 41 LYS HZ1 1 1 13 15269 1 1 41 LYS HZ2 H 6.424 -3.031 14.880 1.00 . A A . 41 LYS HZ2 1 1 13 15270 1 1 41 LYS HZ3 H 7.192 -3.172 13.428 1.00 . A A . 41 LYS HZ3 1 1 13 15271 1 1 41 LYS N N 3.410 -0.348 9.312 1.00 . A A . 41 LYS N 1 1 13 15272 1 1 41 LYS NZ N 6.902 -2.523 14.148 1.00 . A A . 41 LYS NZ 1 1 13 15273 1 1 41 LYS O O 0.086 -0.591 10.413 1.00 . A A . 41 LYS O 1 1 13 15274 1 1 42 LYS C C -0.254 2.309 10.504 1.00 . A A . 42 LYS C 1 1 13 15275 1 1 42 LYS CA C 0.634 1.819 11.652 1.00 . A A . 42 LYS CA 1 1 13 15276 1 1 42 LYS CB C 1.305 2.979 12.403 1.00 . A A . 42 LYS CB 1 1 13 15277 1 1 42 LYS CD C 2.685 3.622 14.453 1.00 . A A . 42 LYS CD 1 1 13 15278 1 1 42 LYS CE C 1.597 4.224 15.361 1.00 . A A . 42 LYS CE 1 1 13 15279 1 1 42 LYS CG C 2.208 2.480 13.540 1.00 . A A . 42 LYS CG 1 1 13 15280 1 1 42 LYS H H 2.607 1.072 11.176 1.00 . A A . 42 LYS H 1 1 13 15281 1 1 42 LYS HA H -0.015 1.283 12.346 1.00 . A A . 42 LYS HA 1 1 13 15282 1 1 42 LYS HB2 H 1.904 3.575 11.711 1.00 . A A . 42 LYS HB2 1 1 13 15283 1 1 42 LYS HB3 H 0.509 3.608 12.800 1.00 . A A . 42 LYS HB3 1 1 13 15284 1 1 42 LYS HD2 H 3.507 3.256 15.072 1.00 . A A . 42 LYS HD2 1 1 13 15285 1 1 42 LYS HD3 H 3.090 4.417 13.821 1.00 . A A . 42 LYS HD3 1 1 13 15286 1 1 42 LYS HE2 H 2.045 5.038 15.934 1.00 . A A . 42 LYS HE2 1 1 13 15287 1 1 42 LYS HE3 H 0.793 4.648 14.758 1.00 . A A . 42 LYS HE3 1 1 13 15288 1 1 42 LYS HG2 H 1.702 1.700 14.108 1.00 . A A . 42 LYS HG2 1 1 13 15289 1 1 42 LYS HG3 H 3.098 2.039 13.089 1.00 . A A . 42 LYS HG3 1 1 13 15290 1 1 42 LYS HZ1 H 0.570 2.495 15.808 1.00 . A A . 42 LYS HZ1 1 1 13 15291 1 1 42 LYS HZ2 H 1.767 2.847 16.885 1.00 . A A . 42 LYS HZ2 1 1 13 15292 1 1 42 LYS HZ3 H 0.360 3.692 16.911 1.00 . A A . 42 LYS HZ3 1 1 13 15293 1 1 42 LYS N N 1.619 0.873 11.155 1.00 . A A . 42 LYS N 1 1 13 15294 1 1 42 LYS NZ N 1.034 3.239 16.310 1.00 . A A . 42 LYS NZ 1 1 13 15295 1 1 42 LYS O O -1.454 2.058 10.506 1.00 . A A . 42 LYS O 1 1 13 15296 1 1 43 SER C C -1.187 2.489 7.645 1.00 . A A . 43 SER C 1 1 13 15297 1 1 43 SER CA C -0.389 3.567 8.392 1.00 . A A . 43 SER CA 1 1 13 15298 1 1 43 SER CB C 0.659 4.209 7.469 1.00 . A A . 43 SER CB 1 1 13 15299 1 1 43 SER H H 1.317 3.201 9.552 1.00 . A A . 43 SER H 1 1 13 15300 1 1 43 SER HA H -1.067 4.341 8.753 1.00 . A A . 43 SER HA 1 1 13 15301 1 1 43 SER HB2 H 1.144 3.438 6.876 1.00 . A A . 43 SER HB2 1 1 13 15302 1 1 43 SER HB3 H 0.157 4.899 6.792 1.00 . A A . 43 SER HB3 1 1 13 15303 1 1 43 SER HG H 2.399 5.137 7.647 1.00 . A A . 43 SER HG 1 1 13 15304 1 1 43 SER N N 0.324 3.010 9.529 1.00 . A A . 43 SER N 1 1 13 15305 1 1 43 SER O O -2.411 2.559 7.526 1.00 . A A . 43 SER O 1 1 13 15306 1 1 43 SER OG O 1.673 4.853 8.227 1.00 . A A . 43 SER OG 1 1 13 15307 1 1 44 ALA C C -2.137 -0.186 6.494 1.00 . A A . 44 ALA C 1 1 13 15308 1 1 44 ALA CA C -0.806 0.480 6.175 1.00 . A A . 44 ALA CA 1 1 13 15309 1 1 44 ALA CB C 0.338 -0.536 6.138 1.00 . A A . 44 ALA CB 1 1 13 15310 1 1 44 ALA H H 0.530 1.514 7.403 1.00 . A A . 44 ALA H 1 1 13 15311 1 1 44 ALA HA H -0.870 0.921 5.184 1.00 . A A . 44 ALA HA 1 1 13 15312 1 1 44 ALA HB1 H 1.272 -0.015 5.906 1.00 . A A . 44 ALA HB1 1 1 13 15313 1 1 44 ALA HB2 H 0.445 -1.024 7.107 1.00 . A A . 44 ALA HB2 1 1 13 15314 1 1 44 ALA HB3 H 0.132 -1.288 5.378 1.00 . A A . 44 ALA HB3 1 1 13 15315 1 1 44 ALA N N -0.445 1.507 7.134 1.00 . A A . 44 ALA N 1 1 13 15316 1 1 44 ALA O O -3.037 -0.222 5.650 1.00 . A A . 44 ALA O 1 1 13 15317 1 1 45 HIS C C -4.553 -0.548 8.553 1.00 . A A . 45 HIS C 1 1 13 15318 1 1 45 HIS CA C -3.432 -1.486 8.097 1.00 . A A . 45 HIS CA 1 1 13 15319 1 1 45 HIS CB C -3.105 -2.503 9.200 1.00 . A A . 45 HIS CB 1 1 13 15320 1 1 45 HIS CD2 C -1.538 -4.318 8.189 1.00 . A A . 45 HIS CD2 1 1 13 15321 1 1 45 HIS CE1 C 0.235 -3.944 9.416 1.00 . A A . 45 HIS CE1 1 1 13 15322 1 1 45 HIS CG C -1.813 -3.268 9.032 1.00 . A A . 45 HIS CG 1 1 13 15323 1 1 45 HIS H H -1.498 -0.589 8.376 1.00 . A A . 45 HIS H 1 1 13 15324 1 1 45 HIS HA H -3.786 -2.055 7.236 1.00 . A A . 45 HIS HA 1 1 13 15325 1 1 45 HIS HB2 H -3.043 -1.966 10.148 1.00 . A A . 45 HIS HB2 1 1 13 15326 1 1 45 HIS HB3 H -3.928 -3.215 9.276 1.00 . A A . 45 HIS HB3 1 1 13 15327 1 1 45 HIS HD1 H -0.561 -2.299 10.455 1.00 . A A . 45 HIS HD1 1 1 13 15328 1 1 45 HIS HD2 H -2.213 -4.748 7.469 1.00 . A A . 45 HIS HD2 1 1 13 15329 1 1 45 HIS HE1 H 1.225 -3.998 9.830 1.00 . A A . 45 HIS HE1 1 1 13 15330 1 1 45 HIS N N -2.249 -0.728 7.709 1.00 . A A . 45 HIS N 1 1 13 15331 1 1 45 HIS ND1 N -0.694 -3.057 9.795 1.00 . A A . 45 HIS ND1 1 1 13 15332 1 1 45 HIS NE2 N -0.221 -4.735 8.438 1.00 . A A . 45 HIS NE2 1 1 13 15333 1 1 45 HIS O O -5.714 -0.953 8.565 1.00 . A A . 45 HIS O 1 1 13 15334 1 1 46 LYS C C -5.884 2.375 8.522 1.00 . A A . 46 LYS C 1 1 13 15335 1 1 46 LYS CA C -5.149 1.594 9.602 1.00 . A A . 46 LYS CA 1 1 13 15336 1 1 46 LYS CB C -4.391 2.495 10.594 1.00 . A A . 46 LYS CB 1 1 13 15337 1 1 46 LYS CD C -5.538 4.791 10.814 1.00 . A A . 46 LYS CD 1 1 13 15338 1 1 46 LYS CE C -4.341 5.747 10.914 1.00 . A A . 46 LYS CE 1 1 13 15339 1 1 46 LYS CG C -5.291 3.412 11.437 1.00 . A A . 46 LYS CG 1 1 13 15340 1 1 46 LYS H H -3.266 1.013 8.813 1.00 . A A . 46 LYS H 1 1 13 15341 1 1 46 LYS HA H -5.880 1.017 10.170 1.00 . A A . 46 LYS HA 1 1 13 15342 1 1 46 LYS HB2 H -3.878 1.830 11.292 1.00 . A A . 46 LYS HB2 1 1 13 15343 1 1 46 LYS HB3 H -3.646 3.086 10.068 1.00 . A A . 46 LYS HB3 1 1 13 15344 1 1 46 LYS HD2 H -5.806 4.649 9.774 1.00 . A A . 46 LYS HD2 1 1 13 15345 1 1 46 LYS HD3 H -6.402 5.246 11.304 1.00 . A A . 46 LYS HD3 1 1 13 15346 1 1 46 LYS HE2 H -4.244 6.076 11.950 1.00 . A A . 46 LYS HE2 1 1 13 15347 1 1 46 LYS HE3 H -3.417 5.244 10.625 1.00 . A A . 46 LYS HE3 1 1 13 15348 1 1 46 LYS HG2 H -6.252 2.914 11.568 1.00 . A A . 46 LYS HG2 1 1 13 15349 1 1 46 LYS HG3 H -4.836 3.550 12.417 1.00 . A A . 46 LYS HG3 1 1 13 15350 1 1 46 LYS HZ1 H -5.475 7.274 10.125 1.00 . A A . 46 LYS HZ1 1 1 13 15351 1 1 46 LYS HZ2 H -3.869 7.650 10.273 1.00 . A A . 46 LYS HZ2 1 1 13 15352 1 1 46 LYS HZ3 H -4.379 6.655 9.077 1.00 . A A . 46 LYS HZ3 1 1 13 15353 1 1 46 LYS N N -4.210 0.679 8.970 1.00 . A A . 46 LYS N 1 1 13 15354 1 1 46 LYS NZ N -4.529 6.923 10.040 1.00 . A A . 46 LYS NZ 1 1 13 15355 1 1 46 LYS O O -7.085 2.194 8.346 1.00 . A A . 46 LYS O 1 1 13 15356 1 1 47 ASP C C -4.487 4.381 5.812 1.00 . A A . 47 ASP C 1 1 13 15357 1 1 47 ASP CA C -5.647 4.078 6.739 1.00 . A A . 47 ASP CA 1 1 13 15358 1 1 47 ASP CB C -6.287 5.393 7.200 1.00 . A A . 47 ASP CB 1 1 13 15359 1 1 47 ASP CG C -7.660 5.246 7.827 1.00 . A A . 47 ASP CG 1 1 13 15360 1 1 47 ASP H H -4.142 3.213 7.937 1.00 . A A . 47 ASP H 1 1 13 15361 1 1 47 ASP HA H -6.382 3.515 6.176 1.00 . A A . 47 ASP HA 1 1 13 15362 1 1 47 ASP HB2 H -5.619 5.931 7.854 1.00 . A A . 47 ASP HB2 1 1 13 15363 1 1 47 ASP HB3 H -6.430 6.003 6.313 1.00 . A A . 47 ASP HB3 1 1 13 15364 1 1 47 ASP N N -5.150 3.245 7.819 1.00 . A A . 47 ASP N 1 1 13 15365 1 1 47 ASP O O -3.942 5.485 5.803 1.00 . A A . 47 ASP O 1 1 13 15366 1 1 47 ASP OD1 O -8.538 4.670 7.145 1.00 . A A . 47 ASP OD1 1 1 13 15367 1 1 47 ASP OD2 O -7.791 5.750 8.965 1.00 . A A . 47 ASP OD2 1 1 13 15368 1 1 48 ALA C C -3.770 2.436 2.865 1.00 . A A . 48 ALA C 1 1 13 15369 1 1 48 ALA CA C -3.406 3.592 3.783 1.00 . A A . 48 ALA CA 1 1 13 15370 1 1 48 ALA CB C -1.904 3.740 4.055 1.00 . A A . 48 ALA CB 1 1 13 15371 1 1 48 ALA H H -4.571 2.487 5.169 1.00 . A A . 48 ALA H 1 1 13 15372 1 1 48 ALA HA H -3.758 4.511 3.315 1.00 . A A . 48 ALA HA 1 1 13 15373 1 1 48 ALA HB1 H -1.722 4.696 4.545 1.00 . A A . 48 ALA HB1 1 1 13 15374 1 1 48 ALA HB2 H -1.543 2.950 4.711 1.00 . A A . 48 ALA HB2 1 1 13 15375 1 1 48 ALA HB3 H -1.355 3.719 3.114 1.00 . A A . 48 ALA HB3 1 1 13 15376 1 1 48 ALA N N -4.135 3.385 5.013 1.00 . A A . 48 ALA N 1 1 13 15377 1 1 48 ALA O O -4.803 2.481 2.197 1.00 . A A . 48 ALA O 1 1 13 15378 1 1 49 CYS C C -4.570 -0.360 2.287 1.00 . A A . 49 CYS C 1 1 13 15379 1 1 49 CYS CA C -3.177 0.217 2.047 1.00 . A A . 49 CYS CA 1 1 13 15380 1 1 49 CYS CB C -2.095 -0.812 2.265 1.00 . A A . 49 CYS CB 1 1 13 15381 1 1 49 CYS H H -2.192 1.365 3.536 1.00 . A A . 49 CYS H 1 1 13 15382 1 1 49 CYS HA H -3.135 0.546 1.013 1.00 . A A . 49 CYS HA 1 1 13 15383 1 1 49 CYS HB2 H -2.241 -1.264 3.237 1.00 . A A . 49 CYS HB2 1 1 13 15384 1 1 49 CYS HB3 H -2.182 -1.594 1.511 1.00 . A A . 49 CYS HB3 1 1 13 15385 1 1 49 CYS N N -2.972 1.372 2.899 1.00 . A A . 49 CYS N 1 1 13 15386 1 1 49 CYS O O -5.408 -0.351 1.386 1.00 . A A . 49 CYS O 1 1 13 15387 1 1 49 CYS SG S -0.403 -0.143 2.273 1.00 . A A . 49 CYS SG 1 1 13 15388 1 1 50 LYS C C -7.342 -0.738 3.630 1.00 . A A . 50 LYS C 1 1 13 15389 1 1 50 LYS CA C -6.076 -1.600 3.740 1.00 . A A . 50 LYS CA 1 1 13 15390 1 1 50 LYS CB C -6.013 -2.380 5.061 1.00 . A A . 50 LYS CB 1 1 13 15391 1 1 50 LYS CD C -7.018 -4.507 6.095 1.00 . A A . 50 LYS CD 1 1 13 15392 1 1 50 LYS CE C -8.248 -5.435 6.082 1.00 . A A . 50 LYS CE 1 1 13 15393 1 1 50 LYS CG C -7.213 -3.340 5.123 1.00 . A A . 50 LYS CG 1 1 13 15394 1 1 50 LYS H H -4.169 -0.749 4.251 1.00 . A A . 50 LYS H 1 1 13 15395 1 1 50 LYS HA H -6.120 -2.360 2.956 1.00 . A A . 50 LYS HA 1 1 13 15396 1 1 50 LYS HB2 H -5.087 -2.957 5.082 1.00 . A A . 50 LYS HB2 1 1 13 15397 1 1 50 LYS HB3 H -6.029 -1.697 5.911 1.00 . A A . 50 LYS HB3 1 1 13 15398 1 1 50 LYS HD2 H -6.118 -5.065 5.831 1.00 . A A . 50 LYS HD2 1 1 13 15399 1 1 50 LYS HD3 H -6.882 -4.103 7.102 1.00 . A A . 50 LYS HD3 1 1 13 15400 1 1 50 LYS HE2 H -8.070 -6.253 6.784 1.00 . A A . 50 LYS HE2 1 1 13 15401 1 1 50 LYS HE3 H -9.119 -4.876 6.431 1.00 . A A . 50 LYS HE3 1 1 13 15402 1 1 50 LYS HG2 H -8.100 -2.778 5.419 1.00 . A A . 50 LYS HG2 1 1 13 15403 1 1 50 LYS HG3 H -7.370 -3.738 4.122 1.00 . A A . 50 LYS HG3 1 1 13 15404 1 1 50 LYS HZ1 H -8.755 -5.274 4.067 1.00 . A A . 50 LYS HZ1 1 1 13 15405 1 1 50 LYS HZ2 H -7.751 -6.531 4.404 1.00 . A A . 50 LYS HZ2 1 1 13 15406 1 1 50 LYS HZ3 H -9.337 -6.621 4.798 1.00 . A A . 50 LYS HZ3 1 1 13 15407 1 1 50 LYS N N -4.853 -0.842 3.503 1.00 . A A . 50 LYS N 1 1 13 15408 1 1 50 LYS NZ N -8.541 -6.001 4.741 1.00 . A A . 50 LYS NZ 1 1 13 15409 1 1 50 LYS O O -8.424 -1.286 3.437 1.00 . A A . 50 LYS O 1 1 13 15410 1 1 51 THR C C -8.798 1.590 2.126 1.00 . A A . 51 THR C 1 1 13 15411 1 1 51 THR CA C -8.427 1.439 3.587 1.00 . A A . 51 THR CA 1 1 13 15412 1 1 51 THR CB C -8.294 2.770 4.318 1.00 . A A . 51 THR CB 1 1 13 15413 1 1 51 THR CG2 C -9.323 3.825 3.892 1.00 . A A . 51 THR CG2 1 1 13 15414 1 1 51 THR H H -6.347 1.014 3.879 1.00 . A A . 51 THR H 1 1 13 15415 1 1 51 THR HA H -9.268 0.929 4.046 1.00 . A A . 51 THR HA 1 1 13 15416 1 1 51 THR HB H -7.296 3.183 4.170 1.00 . A A . 51 THR HB 1 1 13 15417 1 1 51 THR HG1 H -8.558 3.292 6.162 1.00 . A A . 51 THR HG1 1 1 13 15418 1 1 51 THR HG21 H -9.232 4.701 4.537 1.00 . A A . 51 THR HG21 1 1 13 15419 1 1 51 THR HG22 H -9.145 4.144 2.865 1.00 . A A . 51 THR HG22 1 1 13 15420 1 1 51 THR HG23 H -10.333 3.427 3.980 1.00 . A A . 51 THR HG23 1 1 13 15421 1 1 51 THR N N -7.251 0.589 3.757 1.00 . A A . 51 THR N 1 1 13 15422 1 1 51 THR O O -9.984 1.688 1.816 1.00 . A A . 51 THR O 1 1 13 15423 1 1 51 THR OG1 O -8.543 2.456 5.666 1.00 . A A . 51 THR OG1 1 1 13 15424 1 1 52 CYS C C -8.679 -0.138 -0.260 1.00 . A A . 52 CYS C 1 1 13 15425 1 1 52 CYS CA C -8.198 1.300 -0.155 1.00 . A A . 52 CYS CA 1 1 13 15426 1 1 52 CYS CB C -7.032 1.490 -1.074 1.00 . A A . 52 CYS CB 1 1 13 15427 1 1 52 CYS H H -6.850 1.458 1.497 1.00 . A A . 52 CYS H 1 1 13 15428 1 1 52 CYS HA H -9.014 1.980 -0.403 1.00 . A A . 52 CYS HA 1 1 13 15429 1 1 52 CYS HB2 H -6.088 1.488 -0.530 1.00 . A A . 52 CYS HB2 1 1 13 15430 1 1 52 CYS HB3 H -7.017 0.666 -1.789 1.00 . A A . 52 CYS HB3 1 1 13 15431 1 1 52 CYS N N -7.823 1.547 1.221 1.00 . A A . 52 CYS N 1 1 13 15432 1 1 52 CYS O O -9.773 -0.420 -0.741 1.00 . A A . 52 CYS O 1 1 13 15433 1 1 52 CYS SG S -7.227 3.019 -2.008 1.00 . A A . 52 CYS SG 1 1 13 15434 1 1 53 HIS C C -9.029 -2.993 1.144 1.00 . A A . 53 HIS C 1 1 13 15435 1 1 53 HIS CA C -8.016 -2.491 0.090 1.00 . A A . 53 HIS CA 1 1 13 15436 1 1 53 HIS CB C -6.628 -3.144 0.208 1.00 . A A . 53 HIS CB 1 1 13 15437 1 1 53 HIS CD2 C -5.063 -2.145 -1.616 1.00 . A A . 53 HIS CD2 1 1 13 15438 1 1 53 HIS CE1 C -4.477 -4.028 -2.555 1.00 . A A . 53 HIS CE1 1 1 13 15439 1 1 53 HIS CG C -5.786 -3.160 -1.038 1.00 . A A . 53 HIS CG 1 1 13 15440 1 1 53 HIS H H -6.956 -0.725 0.575 1.00 . A A . 53 HIS H 1 1 13 15441 1 1 53 HIS HA H -8.423 -2.735 -0.893 1.00 . A A . 53 HIS HA 1 1 13 15442 1 1 53 HIS HB2 H -6.022 -2.653 0.951 1.00 . A A . 53 HIS HB2 1 1 13 15443 1 1 53 HIS HB3 H -6.756 -4.176 0.524 1.00 . A A . 53 HIS HB3 1 1 13 15444 1 1 53 HIS HD1 H -5.602 -5.244 -1.258 1.00 . A A . 53 HIS HD1 1 1 13 15445 1 1 53 HIS HD2 H -5.046 -1.103 -1.349 1.00 . A A . 53 HIS HD2 1 1 13 15446 1 1 53 HIS HE1 H -3.971 -4.755 -3.162 1.00 . A A . 53 HIS HE1 1 1 13 15447 1 1 53 HIS N N -7.833 -1.058 0.193 1.00 . A A . 53 HIS N 1 1 13 15448 1 1 53 HIS ND1 N -5.375 -4.324 -1.608 1.00 . A A . 53 HIS ND1 1 1 13 15449 1 1 53 HIS NE2 N -4.241 -2.711 -2.599 1.00 . A A . 53 HIS NE2 1 1 13 15450 1 1 53 HIS O O -8.755 -3.948 1.880 1.00 . A A . 53 HIS O 1 1 13 15451 1 1 54 LYS C C -12.044 -3.956 1.161 1.00 . A A . 54 LYS C 1 1 13 15452 1 1 54 LYS CA C -11.367 -2.827 1.949 1.00 . A A . 54 LYS CA 1 1 13 15453 1 1 54 LYS CB C -12.331 -1.669 2.244 1.00 . A A . 54 LYS CB 1 1 13 15454 1 1 54 LYS CD C -11.623 -1.061 4.680 1.00 . A A . 54 LYS CD 1 1 13 15455 1 1 54 LYS CE C -11.653 0.198 5.574 1.00 . A A . 54 LYS CE 1 1 13 15456 1 1 54 LYS CG C -11.759 -0.633 3.210 1.00 . A A . 54 LYS CG 1 1 13 15457 1 1 54 LYS H H -10.315 -1.528 0.626 1.00 . A A . 54 LYS H 1 1 13 15458 1 1 54 LYS HA H -11.052 -3.202 2.916 1.00 . A A . 54 LYS HA 1 1 13 15459 1 1 54 LYS HB2 H -12.549 -1.136 1.317 1.00 . A A . 54 LYS HB2 1 1 13 15460 1 1 54 LYS HB3 H -13.264 -2.058 2.656 1.00 . A A . 54 LYS HB3 1 1 13 15461 1 1 54 LYS HD2 H -12.449 -1.721 4.953 1.00 . A A . 54 LYS HD2 1 1 13 15462 1 1 54 LYS HD3 H -10.681 -1.603 4.785 1.00 . A A . 54 LYS HD3 1 1 13 15463 1 1 54 LYS HE2 H -11.173 1.034 5.066 1.00 . A A . 54 LYS HE2 1 1 13 15464 1 1 54 LYS HE3 H -12.694 0.481 5.750 1.00 . A A . 54 LYS HE3 1 1 13 15465 1 1 54 LYS HG2 H -10.788 -0.324 2.838 1.00 . A A . 54 LYS HG2 1 1 13 15466 1 1 54 LYS HG3 H -12.434 0.213 3.152 1.00 . A A . 54 LYS HG3 1 1 13 15467 1 1 54 LYS HZ1 H -11.014 0.886 7.396 1.00 . A A . 54 LYS HZ1 1 1 13 15468 1 1 54 LYS HZ2 H -11.396 -0.715 7.408 1.00 . A A . 54 LYS HZ2 1 1 13 15469 1 1 54 LYS HZ3 H -9.985 -0.183 6.722 1.00 . A A . 54 LYS HZ3 1 1 13 15470 1 1 54 LYS N N -10.209 -2.357 1.201 1.00 . A A . 54 LYS N 1 1 13 15471 1 1 54 LYS NZ N -10.964 0.022 6.870 1.00 . A A . 54 LYS NZ 1 1 13 15472 1 1 54 LYS O O -11.649 -5.113 1.274 1.00 . A A . 54 LYS O 1 1 13 15473 1 1 55 SER C C -12.997 -4.985 -1.655 1.00 . A A . 55 SER C 1 1 13 15474 1 1 55 SER CA C -13.824 -4.568 -0.439 1.00 . A A . 55 SER CA 1 1 13 15475 1 1 55 SER CB C -15.158 -3.926 -0.852 1.00 . A A . 55 SER CB 1 1 13 15476 1 1 55 SER H H -13.315 -2.645 0.290 1.00 . A A . 55 SER H 1 1 13 15477 1 1 55 SER HA H -14.041 -5.453 0.163 1.00 . A A . 55 SER HA 1 1 13 15478 1 1 55 SER HB2 H -15.679 -3.568 0.038 1.00 . A A . 55 SER HB2 1 1 13 15479 1 1 55 SER HB3 H -14.982 -3.084 -1.524 1.00 . A A . 55 SER HB3 1 1 13 15480 1 1 55 SER HG H -16.809 -4.455 -1.759 1.00 . A A . 55 SER HG 1 1 13 15481 1 1 55 SER N N -13.063 -3.617 0.362 1.00 . A A . 55 SER N 1 1 13 15482 1 1 55 SER O O -12.843 -6.171 -1.945 1.00 . A A . 55 SER O 1 1 13 15483 1 1 55 SER OG O -15.983 -4.873 -1.500 1.00 . A A . 55 SER OG 1 1 13 15484 1 1 56 ASN C C -10.233 -4.704 -3.197 1.00 . A A . 56 ASN C 1 1 13 15485 1 1 56 ASN CA C -11.624 -4.172 -3.557 1.00 . A A . 56 ASN CA 1 1 13 15486 1 1 56 ASN CB C -11.567 -2.862 -4.361 1.00 . A A . 56 ASN CB 1 1 13 15487 1 1 56 ASN CG C -11.163 -1.673 -3.496 1.00 . A A . 56 ASN CG 1 1 13 15488 1 1 56 ASN H H -12.545 -3.051 -1.995 1.00 . A A . 56 ASN H 1 1 13 15489 1 1 56 ASN HA H -12.103 -4.917 -4.195 1.00 . A A . 56 ASN HA 1 1 13 15490 1 1 56 ASN HB2 H -10.881 -2.965 -5.202 1.00 . A A . 56 ASN HB2 1 1 13 15491 1 1 56 ASN HB3 H -12.562 -2.663 -4.762 1.00 . A A . 56 ASN HB3 1 1 13 15492 1 1 56 ASN HD21 H -9.210 -2.175 -3.592 1.00 . A A . 56 ASN HD21 1 1 13 15493 1 1 56 ASN HD22 H -9.610 -0.764 -2.600 1.00 . A A . 56 ASN HD22 1 1 13 15494 1 1 56 ASN N N -12.433 -3.992 -2.351 1.00 . A A . 56 ASN N 1 1 13 15495 1 1 56 ASN ND2 N -9.870 -1.462 -3.289 1.00 . A A . 56 ASN ND2 1 1 13 15496 1 1 56 ASN O O -9.215 -4.061 -3.447 1.00 . A A . 56 ASN O 1 1 13 15497 1 1 56 ASN OD1 O -12.031 -0.984 -2.969 1.00 . A A . 56 ASN OD1 1 1 13 15498 1 1 57 ASN C C -9.185 -8.088 -2.553 1.00 . A A . 57 ASN C 1 1 13 15499 1 1 57 ASN CA C -9.008 -6.614 -2.211 1.00 . A A . 57 ASN CA 1 1 13 15500 1 1 57 ASN CB C -8.756 -6.417 -0.713 1.00 . A A . 57 ASN CB 1 1 13 15501 1 1 57 ASN CG C -7.467 -7.109 -0.280 1.00 . A A . 57 ASN CG 1 1 13 15502 1 1 57 ASN H H -11.102 -6.351 -2.459 1.00 . A A . 57 ASN H 1 1 13 15503 1 1 57 ASN HA H -8.146 -6.236 -2.766 1.00 . A A . 57 ASN HA 1 1 13 15504 1 1 57 ASN HB2 H -8.652 -5.350 -0.523 1.00 . A A . 57 ASN HB2 1 1 13 15505 1 1 57 ASN HB3 H -9.600 -6.786 -0.127 1.00 . A A . 57 ASN HB3 1 1 13 15506 1 1 57 ASN HD21 H -8.433 -8.615 0.731 1.00 . A A . 57 ASN HD21 1 1 13 15507 1 1 57 ASN HD22 H -6.685 -8.676 0.697 1.00 . A A . 57 ASN HD22 1 1 13 15508 1 1 57 ASN N N -10.207 -5.898 -2.607 1.00 . A A . 57 ASN N 1 1 13 15509 1 1 57 ASN ND2 N -7.544 -8.221 0.435 1.00 . A A . 57 ASN ND2 1 1 13 15510 1 1 57 ASN O O -8.408 -8.640 -3.325 1.00 . A A . 57 ASN O 1 1 13 15511 1 1 57 ASN OD1 O -6.378 -6.633 -0.569 1.00 . A A . 57 ASN OD1 1 1 13 15512 1 1 58 GLY C C -10.309 -10.868 -0.833 1.00 . A A . 58 GLY C 1 1 13 15513 1 1 58 GLY CA C -10.513 -10.131 -2.157 1.00 . A A . 58 GLY CA 1 1 13 15514 1 1 58 GLY H H -10.830 -8.192 -1.372 1.00 . A A . 58 GLY H 1 1 13 15515 1 1 58 GLY HA2 H -11.562 -10.217 -2.440 1.00 . A A . 58 GLY HA2 1 1 13 15516 1 1 58 GLY HA3 H -9.919 -10.584 -2.949 1.00 . A A . 58 GLY HA3 1 1 13 15517 1 1 58 GLY N N -10.216 -8.716 -1.980 1.00 . A A . 58 GLY N 1 1 13 15518 1 1 58 GLY O O -11.274 -11.042 -0.089 1.00 . A A . 58 GLY O 1 1 13 15519 1 1 59 PRO C C -8.725 -10.964 1.889 1.00 . A A . 59 PRO C 1 1 13 15520 1 1 59 PRO CA C -8.784 -11.970 0.745 1.00 . A A . 59 PRO CA 1 1 13 15521 1 1 59 PRO CB C -7.463 -12.708 0.494 1.00 . A A . 59 PRO CB 1 1 13 15522 1 1 59 PRO CD C -7.884 -11.224 -1.338 1.00 . A A . 59 PRO CD 1 1 13 15523 1 1 59 PRO CG C -6.744 -11.780 -0.484 1.00 . A A . 59 PRO CG 1 1 13 15524 1 1 59 PRO HA H -9.591 -12.649 1.049 1.00 . A A . 59 PRO HA 1 1 13 15525 1 1 59 PRO HB2 H -6.863 -12.896 1.384 1.00 . A A . 59 PRO HB2 1 1 13 15526 1 1 59 PRO HB3 H -7.676 -13.651 -0.012 1.00 . A A . 59 PRO HB3 1 1 13 15527 1 1 59 PRO HD2 H -7.643 -10.202 -1.619 1.00 . A A . 59 PRO HD2 1 1 13 15528 1 1 59 PRO HD3 H -8.011 -11.840 -2.230 1.00 . A A . 59 PRO HD3 1 1 13 15529 1 1 59 PRO HG2 H -6.271 -10.967 0.068 1.00 . A A . 59 PRO HG2 1 1 13 15530 1 1 59 PRO HG3 H -5.998 -12.304 -1.085 1.00 . A A . 59 PRO HG3 1 1 13 15531 1 1 59 PRO N N -9.079 -11.303 -0.511 1.00 . A A . 59 PRO N 1 1 13 15532 1 1 59 PRO O O -9.221 -9.842 1.786 1.00 . A A . 59 PRO O 1 1 13 15533 1 1 60 THR C C -8.177 -11.556 5.471 1.00 . A A . 60 THR C 1 1 13 15534 1 1 60 THR CA C -8.994 -11.092 4.264 1.00 . A A . 60 THR CA 1 1 13 15535 1 1 60 THR CB C -10.416 -11.683 4.135 1.00 . A A . 60 THR CB 1 1 13 15536 1 1 60 THR CG2 C -10.519 -13.213 4.134 1.00 . A A . 60 THR CG2 1 1 13 15537 1 1 60 THR H H -7.762 -12.300 3.060 1.00 . A A . 60 THR H 1 1 13 15538 1 1 60 THR HA H -9.082 -10.006 4.325 1.00 . A A . 60 THR HA 1 1 13 15539 1 1 60 THR HB H -10.846 -11.345 3.189 1.00 . A A . 60 THR HB 1 1 13 15540 1 1 60 THR HG1 H -12.164 -11.285 4.694 1.00 . A A . 60 THR HG1 1 1 13 15541 1 1 60 THR HG21 H -9.827 -13.650 3.413 1.00 . A A . 60 THR HG21 1 1 13 15542 1 1 60 THR HG22 H -10.330 -13.612 5.130 1.00 . A A . 60 THR HG22 1 1 13 15543 1 1 60 THR HG23 H -11.532 -13.499 3.846 1.00 . A A . 60 THR HG23 1 1 13 15544 1 1 60 THR N N -8.283 -11.438 3.051 1.00 . A A . 60 THR N 1 1 13 15545 1 1 60 THR O O -7.753 -10.739 6.289 1.00 . A A . 60 THR O 1 1 13 15546 1 1 60 THR OG1 O -11.296 -11.175 5.091 1.00 . A A . 60 THR OG1 1 1 13 15547 1 1 61 LYS C C -5.523 -13.077 6.197 1.00 . A A . 61 LYS C 1 1 13 15548 1 1 61 LYS CA C -6.976 -13.433 6.536 1.00 . A A . 61 LYS CA 1 1 13 15549 1 1 61 LYS CB C -7.264 -14.940 6.682 1.00 . A A . 61 LYS CB 1 1 13 15550 1 1 61 LYS CD C -5.687 -16.605 5.506 1.00 . A A . 61 LYS CD 1 1 13 15551 1 1 61 LYS CE C -5.894 -18.124 5.443 1.00 . A A . 61 LYS CE 1 1 13 15552 1 1 61 LYS CG C -7.005 -15.806 5.431 1.00 . A A . 61 LYS CG 1 1 13 15553 1 1 61 LYS H H -8.238 -13.472 4.834 1.00 . A A . 61 LYS H 1 1 13 15554 1 1 61 LYS HA H -7.206 -12.981 7.504 1.00 . A A . 61 LYS HA 1 1 13 15555 1 1 61 LYS HB2 H -6.716 -15.326 7.541 1.00 . A A . 61 LYS HB2 1 1 13 15556 1 1 61 LYS HB3 H -8.324 -15.027 6.924 1.00 . A A . 61 LYS HB3 1 1 13 15557 1 1 61 LYS HD2 H -5.019 -16.280 4.703 1.00 . A A . 61 LYS HD2 1 1 13 15558 1 1 61 LYS HD3 H -5.168 -16.383 6.441 1.00 . A A . 61 LYS HD3 1 1 13 15559 1 1 61 LYS HE2 H -4.939 -18.612 5.649 1.00 . A A . 61 LYS HE2 1 1 13 15560 1 1 61 LYS HE3 H -6.601 -18.424 6.221 1.00 . A A . 61 LYS HE3 1 1 13 15561 1 1 61 LYS HG2 H -7.849 -16.490 5.341 1.00 . A A . 61 LYS HG2 1 1 13 15562 1 1 61 LYS HG3 H -6.985 -15.178 4.539 1.00 . A A . 61 LYS HG3 1 1 13 15563 1 1 61 LYS HZ1 H -7.265 -18.147 3.903 1.00 . A A . 61 LYS HZ1 1 1 13 15564 1 1 61 LYS HZ2 H -5.709 -18.337 3.405 1.00 . A A . 61 LYS HZ2 1 1 13 15565 1 1 61 LYS HZ3 H -6.499 -19.582 4.129 1.00 . A A . 61 LYS HZ3 1 1 13 15566 1 1 61 LYS N N -7.864 -12.856 5.535 1.00 . A A . 61 LYS N 1 1 13 15567 1 1 61 LYS NZ N -6.379 -18.578 4.121 1.00 . A A . 61 LYS NZ 1 1 13 15568 1 1 61 LYS O O -4.725 -13.933 5.827 1.00 . A A . 61 LYS O 1 1 13 15569 1 1 62 CYS C C -3.674 -11.571 4.414 1.00 . A A . 62 CYS C 1 1 13 15570 1 1 62 CYS CA C -3.942 -11.206 5.878 1.00 . A A . 62 CYS CA 1 1 13 15571 1 1 62 CYS CB C -2.838 -11.598 6.843 1.00 . A A . 62 CYS CB 1 1 13 15572 1 1 62 CYS H H -5.947 -11.146 6.558 1.00 . A A . 62 CYS H 1 1 13 15573 1 1 62 CYS HA H -4.079 -10.131 5.903 1.00 . A A . 62 CYS HA 1 1 13 15574 1 1 62 CYS HB2 H -2.574 -12.645 6.690 1.00 . A A . 62 CYS HB2 1 1 13 15575 1 1 62 CYS HB3 H -1.950 -10.987 6.670 1.00 . A A . 62 CYS HB3 1 1 13 15576 1 1 62 CYS N N -5.208 -11.785 6.290 1.00 . A A . 62 CYS N 1 1 13 15577 1 1 62 CYS O O -4.587 -11.519 3.586 1.00 . A A . 62 CYS O 1 1 13 15578 1 1 62 CYS SG S -3.347 -11.427 8.579 1.00 . A A . 62 CYS SG 1 1 13 15579 1 1 63 GLY C C -1.940 -11.592 1.666 1.00 . A A . 63 GLY C 1 1 13 15580 1 1 63 GLY CA C -2.108 -12.584 2.812 1.00 . A A . 63 GLY CA 1 1 13 15581 1 1 63 GLY H H -1.721 -11.848 4.776 1.00 . A A . 63 GLY H 1 1 13 15582 1 1 63 GLY HA2 H -1.174 -13.132 2.942 1.00 . A A . 63 GLY HA2 1 1 13 15583 1 1 63 GLY HA3 H -2.890 -13.297 2.549 1.00 . A A . 63 GLY HA3 1 1 13 15584 1 1 63 GLY N N -2.437 -11.927 4.072 1.00 . A A . 63 GLY N 1 1 13 15585 1 1 63 GLY O O -0.954 -11.665 0.940 1.00 . A A . 63 GLY O 1 1 13 15586 1 1 64 GLY C C -1.561 -9.065 0.124 1.00 . A A . 64 GLY C 1 1 13 15587 1 1 64 GLY CA C -2.935 -9.625 0.503 1.00 . A A . 64 GLY CA 1 1 13 15588 1 1 64 GLY H H -3.690 -10.743 2.152 1.00 . A A . 64 GLY H 1 1 13 15589 1 1 64 GLY HA2 H -3.429 -10.016 -0.387 1.00 . A A . 64 GLY HA2 1 1 13 15590 1 1 64 GLY HA3 H -3.532 -8.803 0.903 1.00 . A A . 64 GLY HA3 1 1 13 15591 1 1 64 GLY N N -2.893 -10.665 1.527 1.00 . A A . 64 GLY N 1 1 13 15592 1 1 64 GLY O O -1.262 -8.883 -1.052 1.00 . A A . 64 GLY O 1 1 13 15593 1 1 65 CYS C C 1.705 -8.796 1.464 1.00 . A A . 65 CYS C 1 1 13 15594 1 1 65 CYS CA C 0.479 -7.988 1.000 1.00 . A A . 65 CYS CA 1 1 13 15595 1 1 65 CYS CB C 0.296 -6.699 1.765 1.00 . A A . 65 CYS CB 1 1 13 15596 1 1 65 CYS H H -1.106 -8.908 2.069 1.00 . A A . 65 CYS H 1 1 13 15597 1 1 65 CYS HA H 0.645 -7.725 -0.045 1.00 . A A . 65 CYS HA 1 1 13 15598 1 1 65 CYS HB2 H 0.324 -6.947 2.824 1.00 . A A . 65 CYS HB2 1 1 13 15599 1 1 65 CYS HB3 H 1.100 -6.002 1.544 1.00 . A A . 65 CYS HB3 1 1 13 15600 1 1 65 CYS N N -0.751 -8.758 1.141 1.00 . A A . 65 CYS N 1 1 13 15601 1 1 65 CYS O O 2.768 -8.706 0.857 1.00 . A A . 65 CYS O 1 1 13 15602 1 1 65 CYS SG S -1.306 -5.933 1.309 1.00 . A A . 65 CYS SG 1 1 13 15603 1 1 66 HIS C C 2.763 -11.749 2.480 1.00 . A A . 66 HIS C 1 1 13 15604 1 1 66 HIS CA C 2.658 -10.364 3.124 1.00 . A A . 66 HIS CA 1 1 13 15605 1 1 66 HIS CB C 2.431 -10.537 4.630 1.00 . A A . 66 HIS CB 1 1 13 15606 1 1 66 HIS CD2 C 1.398 -8.623 5.981 1.00 . A A . 66 HIS CD2 1 1 13 15607 1 1 66 HIS CE1 C 3.185 -7.452 6.389 1.00 . A A . 66 HIS CE1 1 1 13 15608 1 1 66 HIS CG C 2.465 -9.251 5.398 1.00 . A A . 66 HIS CG 1 1 13 15609 1 1 66 HIS H H 0.662 -9.647 2.971 1.00 . A A . 66 HIS H 1 1 13 15610 1 1 66 HIS HA H 3.599 -9.830 2.983 1.00 . A A . 66 HIS HA 1 1 13 15611 1 1 66 HIS HB2 H 1.486 -11.050 4.804 1.00 . A A . 66 HIS HB2 1 1 13 15612 1 1 66 HIS HB3 H 3.223 -11.178 5.021 1.00 . A A . 66 HIS HB3 1 1 13 15613 1 1 66 HIS HD1 H 4.535 -8.666 5.315 1.00 . A A . 66 HIS HD1 1 1 13 15614 1 1 66 HIS HD2 H 0.369 -8.922 5.991 1.00 . A A . 66 HIS HD2 1 1 13 15615 1 1 66 HIS HE1 H 3.807 -6.658 6.757 1.00 . A A . 66 HIS HE1 1 1 13 15616 1 1 66 HIS N N 1.566 -9.588 2.536 1.00 . A A . 66 HIS N 1 1 13 15617 1 1 66 HIS ND1 N 3.589 -8.509 5.661 1.00 . A A . 66 HIS ND1 1 1 13 15618 1 1 66 HIS NE2 N 1.866 -7.471 6.599 1.00 . A A . 66 HIS NE2 1 1 13 15619 1 1 66 HIS O O 2.010 -12.654 2.844 1.00 . A A . 66 HIS O 1 1 13 15620 1 1 67 ILE C C 4.561 -14.289 1.483 1.00 . A A . 67 ILE C 1 1 13 15621 1 1 67 ILE CA C 3.806 -13.158 0.755 1.00 . A A . 67 ILE CA 1 1 13 15622 1 1 67 ILE CB C 4.395 -12.798 -0.629 1.00 . A A . 67 ILE CB 1 1 13 15623 1 1 67 ILE CD1 C 2.247 -11.558 -1.363 1.00 . A A . 67 ILE CD1 1 1 13 15624 1 1 67 ILE CG1 C 3.775 -11.515 -1.224 1.00 . A A . 67 ILE CG1 1 1 13 15625 1 1 67 ILE CG2 C 4.223 -13.950 -1.634 1.00 . A A . 67 ILE CG2 1 1 13 15626 1 1 67 ILE H H 4.336 -11.179 1.347 1.00 . A A . 67 ILE H 1 1 13 15627 1 1 67 ILE HA H 2.795 -13.528 0.584 1.00 . A A . 67 ILE HA 1 1 13 15628 1 1 67 ILE HB H 5.464 -12.605 -0.512 1.00 . A A . 67 ILE HB 1 1 13 15629 1 1 67 ILE HD11 H 1.945 -12.374 -2.016 1.00 . A A . 67 ILE HD11 1 1 13 15630 1 1 67 ILE HD12 H 1.769 -11.675 -0.391 1.00 . A A . 67 ILE HD12 1 1 13 15631 1 1 67 ILE HD13 H 1.905 -10.619 -1.800 1.00 . A A . 67 ILE HD13 1 1 13 15632 1 1 67 ILE HG12 H 4.043 -10.651 -0.615 1.00 . A A . 67 ILE HG12 1 1 13 15633 1 1 67 ILE HG13 H 4.202 -11.346 -2.214 1.00 . A A . 67 ILE HG13 1 1 13 15634 1 1 67 ILE HG21 H 3.188 -14.290 -1.648 1.00 . A A . 67 ILE HG21 1 1 13 15635 1 1 67 ILE HG22 H 4.504 -13.614 -2.633 1.00 . A A . 67 ILE HG22 1 1 13 15636 1 1 67 ILE HG23 H 4.860 -14.793 -1.378 1.00 . A A . 67 ILE HG23 1 1 13 15637 1 1 67 ILE N N 3.720 -11.948 1.572 1.00 . A A . 67 ILE N 1 1 13 15638 1 1 67 ILE O O 5.499 -14.863 0.935 1.00 . A A . 67 ILE O 1 1 13 15639 1 1 68 LYS C C 6.059 -15.215 4.124 1.00 . A A . 68 LYS C 1 1 13 15640 1 1 68 LYS CA C 4.676 -15.622 3.604 1.00 . A A . 68 LYS CA 1 1 13 15641 1 1 68 LYS CB C 4.756 -17.035 3.006 1.00 . A A . 68 LYS CB 1 1 13 15642 1 1 68 LYS CD C 3.597 -19.087 2.232 1.00 . A A . 68 LYS CD 1 1 13 15643 1 1 68 LYS CE C 2.283 -19.813 1.918 1.00 . A A . 68 LYS CE 1 1 13 15644 1 1 68 LYS CG C 3.393 -17.614 2.617 1.00 . A A . 68 LYS CG 1 1 13 15645 1 1 68 LYS H H 3.297 -14.103 3.022 1.00 . A A . 68 LYS H 1 1 13 15646 1 1 68 LYS HA H 4.024 -15.668 4.477 1.00 . A A . 68 LYS HA 1 1 13 15647 1 1 68 LYS HB2 H 5.421 -17.041 2.143 1.00 . A A . 68 LYS HB2 1 1 13 15648 1 1 68 LYS HB3 H 5.197 -17.681 3.766 1.00 . A A . 68 LYS HB3 1 1 13 15649 1 1 68 LYS HD2 H 4.283 -19.152 1.385 1.00 . A A . 68 LYS HD2 1 1 13 15650 1 1 68 LYS HD3 H 4.067 -19.600 3.075 1.00 . A A . 68 LYS HD3 1 1 13 15651 1 1 68 LYS HE2 H 2.506 -20.869 1.745 1.00 . A A . 68 LYS HE2 1 1 13 15652 1 1 68 LYS HE3 H 1.616 -19.742 2.779 1.00 . A A . 68 LYS HE3 1 1 13 15653 1 1 68 LYS HG2 H 2.726 -17.537 3.478 1.00 . A A . 68 LYS HG2 1 1 13 15654 1 1 68 LYS HG3 H 2.997 -17.027 1.789 1.00 . A A . 68 LYS HG3 1 1 13 15655 1 1 68 LYS HZ1 H 1.376 -18.293 0.873 1.00 . A A . 68 LYS HZ1 1 1 13 15656 1 1 68 LYS HZ2 H 2.229 -19.330 -0.080 1.00 . A A . 68 LYS HZ2 1 1 13 15657 1 1 68 LYS HZ3 H 0.771 -19.783 0.530 1.00 . A A . 68 LYS HZ3 1 1 13 15658 1 1 68 LYS N N 4.084 -14.643 2.685 1.00 . A A . 68 LYS N 1 1 13 15659 1 1 68 LYS NZ N 1.616 -19.263 0.721 1.00 . A A . 68 LYS NZ 1 1 13 15660 1 1 68 LYS O O 6.472 -15.826 5.134 1.00 . A A . 68 LYS O 1 1 13 15661 1 1 68 LYS OXT O 6.690 -14.333 3.502 1.00 . A A . 68 LYS OXT 1 1 13 15662 2 2 1 HEC C1A C 7.324 8.389 -3.648 1.00 . B A . 69 HEC C1A 1 1 13 15663 2 2 1 HEC C1B C 4.751 9.637 -6.838 1.00 . B A . 69 HEC C1B 1 1 13 15664 2 2 1 HEC C1C C 1.876 6.719 -5.644 1.00 . B A . 69 HEC C1C 1 1 13 15665 2 2 1 HEC C1D C 4.203 5.901 -2.171 1.00 . B A . 69 HEC C1D 1 1 13 15666 2 2 1 HEC C2A C 8.424 9.270 -3.993 1.00 . B A . 69 HEC C2A 1 1 13 15667 2 2 1 HEC C2B C 4.007 10.157 -7.960 1.00 . B A . 69 HEC C2B 1 1 13 15668 2 2 1 HEC C2C C 0.745 5.895 -5.286 1.00 . B A . 69 HEC C2C 1 1 13 15669 2 2 1 HEC C2D C 4.926 5.377 -1.040 1.00 . B A . 69 HEC C2D 1 1 13 15670 2 2 1 HEC C3A C 8.035 9.975 -5.103 1.00 . B A . 69 HEC C3A 1 1 13 15671 2 2 1 HEC C3B C 2.881 9.381 -8.096 1.00 . B A . 69 HEC C3B 1 1 13 15672 2 2 1 HEC C3C C 0.994 5.395 -4.026 1.00 . B A . 69 HEC C3C 1 1 13 15673 2 2 1 HEC C3D C 6.183 5.919 -1.087 1.00 . B A . 69 HEC C3D 1 1 13 15674 2 2 1 HEC C4A C 6.681 9.583 -5.408 1.00 . B A . 69 HEC C4A 1 1 13 15675 2 2 1 HEC C4B C 2.930 8.379 -7.048 1.00 . B A . 69 HEC C4B 1 1 13 15676 2 2 1 HEC C4C C 2.310 5.863 -3.648 1.00 . B A . 69 HEC C4C 1 1 13 15677 2 2 1 HEC C4D C 6.224 6.794 -2.234 1.00 . B A . 69 HEC C4D 1 1 13 15678 2 2 1 HEC CAA C 9.733 9.478 -3.260 1.00 . B A . 69 HEC CAA 1 1 13 15679 2 2 1 HEC CAB C 1.667 9.726 -8.940 1.00 . B A . 69 HEC CAB 1 1 13 15680 2 2 1 HEC CAC C 0.014 4.675 -3.112 1.00 . B A . 69 HEC CAC 1 1 13 15681 2 2 1 HEC CAD C 7.279 5.673 -0.080 1.00 . B A . 69 HEC CAD 1 1 13 15682 2 2 1 HEC CBA C 10.913 8.685 -3.829 1.00 . B A . 69 HEC CBA 1 1 13 15683 2 2 1 HEC CBB C 1.938 10.031 -10.420 1.00 . B A . 69 HEC CBB 1 1 13 15684 2 2 1 HEC CBC C -0.377 3.269 -3.569 1.00 . B A . 69 HEC CBC 1 1 13 15685 2 2 1 HEC CBD C 7.898 4.280 -0.166 1.00 . B A . 69 HEC CBD 1 1 13 15686 2 2 1 HEC CGA C 10.933 7.276 -3.241 1.00 . B A . 69 HEC CGA 1 1 13 15687 2 2 1 HEC CGD C 8.866 4.090 0.996 1.00 . B A . 69 HEC CGD 1 1 13 15688 2 2 1 HEC CHA C 7.320 7.533 -2.573 1.00 . B A . 69 HEC CHA 1 1 13 15689 2 2 1 HEC CHB C 5.974 10.129 -6.444 1.00 . B A . 69 HEC CHB 1 1 13 15690 2 2 1 HEC CHC C 1.918 7.471 -6.794 1.00 . B A . 69 HEC CHC 1 1 13 15691 2 2 1 HEC CHD C 2.937 5.500 -2.476 1.00 . B A . 69 HEC CHD 1 1 13 15692 2 2 1 HEC CMA C 8.876 10.959 -5.884 1.00 . B A . 69 HEC CMA 1 1 13 15693 2 2 1 HEC CMB C 4.359 11.370 -8.796 1.00 . B A . 69 HEC CMB 1 1 13 15694 2 2 1 HEC CMC C -0.516 5.740 -6.106 1.00 . B A . 69 HEC CMC 1 1 13 15695 2 2 1 HEC CMD C 4.422 4.343 -0.061 1.00 . B A . 69 HEC CMD 1 1 13 15696 2 2 1 HEC FE FE 4.529 7.677 -4.598 1.00 . B A . 69 HEC FE 1 1 13 15697 2 2 1 HEC HAA1 H 9.986 10.537 -3.285 1.00 . B A . 69 HEC HAA1 1 1 13 15698 2 2 1 HEC HAA2 H 9.640 9.180 -2.223 1.00 . B A . 69 HEC HAA2 1 1 13 15699 2 2 1 HEC HAB H 0.993 8.878 -8.953 1.00 . B A . 69 HEC HAB 1 1 13 15700 2 2 1 HEC HAC H 0.435 4.570 -2.118 1.00 . B A . 69 HEC HAC 1 1 13 15701 2 2 1 HEC HAD1 H 8.094 6.379 -0.171 1.00 . B A . 69 HEC HAD1 1 1 13 15702 2 2 1 HEC HAD2 H 6.855 5.795 0.910 1.00 . B A . 69 HEC HAD2 1 1 13 15703 2 2 1 HEC HBA1 H 10.849 8.646 -4.917 1.00 . B A . 69 HEC HBA1 1 1 13 15704 2 2 1 HEC HBA2 H 11.836 9.200 -3.556 1.00 . B A . 69 HEC HBA2 1 1 13 15705 2 2 1 HEC HBB1 H 2.355 11.026 -10.559 1.00 . B A . 69 HEC HBB1 1 1 13 15706 2 2 1 HEC HBB2 H 2.623 9.290 -10.833 1.00 . B A . 69 HEC HBB2 1 1 13 15707 2 2 1 HEC HBB3 H 1.001 9.978 -10.977 1.00 . B A . 69 HEC HBB3 1 1 13 15708 2 2 1 HEC HBC1 H -0.839 2.730 -2.743 1.00 . B A . 69 HEC HBC1 1 1 13 15709 2 2 1 HEC HBC2 H -1.096 3.328 -4.379 1.00 . B A . 69 HEC HBC2 1 1 13 15710 2 2 1 HEC HBC3 H 0.504 2.714 -3.898 1.00 . B A . 69 HEC HBC3 1 1 13 15711 2 2 1 HEC HBD1 H 7.104 3.541 -0.091 1.00 . B A . 69 HEC HBD1 1 1 13 15712 2 2 1 HEC HBD2 H 8.408 4.162 -1.124 1.00 . B A . 69 HEC HBD2 1 1 13 15713 2 2 1 HEC HHA H 8.202 7.412 -1.976 1.00 . B A . 69 HEC HHA 1 1 13 15714 2 2 1 HEC HHB H 6.426 10.932 -6.989 1.00 . B A . 69 HEC HHB 1 1 13 15715 2 2 1 HEC HHC H 1.078 7.408 -7.456 1.00 . B A . 69 HEC HHC 1 1 13 15716 2 2 1 HEC HHD H 2.467 4.803 -1.812 1.00 . B A . 69 HEC HHD 1 1 13 15717 2 2 1 HEC HMA1 H 9.917 10.904 -5.570 1.00 . B A . 69 HEC HMA1 1 1 13 15718 2 2 1 HEC HMA2 H 8.829 10.709 -6.943 1.00 . B A . 69 HEC HMA2 1 1 13 15719 2 2 1 HEC HMA3 H 8.504 11.971 -5.731 1.00 . B A . 69 HEC HMA3 1 1 13 15720 2 2 1 HEC HMB1 H 5.117 11.988 -8.323 1.00 . B A . 69 HEC HMB1 1 1 13 15721 2 2 1 HEC HMB2 H 4.712 11.048 -9.775 1.00 . B A . 69 HEC HMB2 1 1 13 15722 2 2 1 HEC HMB3 H 3.472 11.991 -8.907 1.00 . B A . 69 HEC HMB3 1 1 13 15723 2 2 1 HEC HMC1 H -0.935 6.725 -6.310 1.00 . B A . 69 HEC HMC1 1 1 13 15724 2 2 1 HEC HMC2 H -0.271 5.246 -7.043 1.00 . B A . 69 HEC HMC2 1 1 13 15725 2 2 1 HEC HMC3 H -1.270 5.153 -5.590 1.00 . B A . 69 HEC HMC3 1 1 13 15726 2 2 1 HEC HMD1 H 4.385 3.369 -0.548 1.00 . B A . 69 HEC HMD1 1 1 13 15727 2 2 1 HEC HMD2 H 5.074 4.276 0.810 1.00 . B A . 69 HEC HMD2 1 1 13 15728 2 2 1 HEC HMD3 H 3.423 4.615 0.273 1.00 . B A . 69 HEC HMD3 1 1 13 15729 2 2 1 HEC NA N 6.304 8.624 -4.536 1.00 . B A . 69 HEC NA 1 1 13 15730 2 2 1 HEC NB N 4.055 8.602 -6.304 1.00 . B A . 69 HEC NB 1 1 13 15731 2 2 1 HEC NC N 2.785 6.669 -4.640 1.00 . B A . 69 HEC NC 1 1 13 15732 2 2 1 HEC ND N 5.021 6.739 -2.857 1.00 . B A . 69 HEC ND 1 1 13 15733 2 2 1 HEC O1A O 10.039 6.490 -3.626 1.00 . B A . 69 HEC O1A 1 1 13 15734 2 2 1 HEC O1D O 8.418 4.196 2.164 1.00 . B A . 69 HEC O1D 1 1 13 15735 2 2 1 HEC O2A O 11.775 7.021 -2.357 1.00 . B A . 69 HEC O2A 1 1 13 15736 2 2 1 HEC O2D O 10.091 3.982 0.775 1.00 . B A . 69 HEC O2D 1 1 13 15737 3 2 1 HEC C1A C -2.286 -4.501 -5.120 1.00 . C A . 70 HEC C1A 1 1 13 15738 3 2 1 HEC C1B C -0.807 -2.431 -1.713 1.00 . C A . 70 HEC C1B 1 1 13 15739 3 2 1 HEC C1C C -3.457 0.837 -2.499 1.00 . C A . 70 HEC C1C 1 1 13 15740 3 2 1 HEC C1D C -5.253 -1.424 -5.642 1.00 . C A . 70 HEC C1D 1 1 13 15741 3 2 1 HEC C2A C -1.447 -5.669 -4.979 1.00 . C A . 70 HEC C2A 1 1 13 15742 3 2 1 HEC C2B C -0.157 -1.843 -0.572 1.00 . C A . 70 HEC C2B 1 1 13 15743 3 2 1 HEC C2C C -4.299 2.000 -2.618 1.00 . C A . 70 HEC C2C 1 1 13 15744 3 2 1 HEC C2D C -5.896 -2.041 -6.784 1.00 . C A . 70 HEC C2D 1 1 13 15745 3 2 1 HEC C3A C -0.719 -5.505 -3.826 1.00 . C A . 70 HEC C3A 1 1 13 15746 3 2 1 HEC C3B C -0.652 -0.567 -0.438 1.00 . C A . 70 HEC C3B 1 1 13 15747 3 2 1 HEC C3C C -5.317 1.680 -3.491 1.00 . C A . 70 HEC C3C 1 1 13 15748 3 2 1 HEC C3D C -5.179 -3.170 -7.098 1.00 . C A . 70 HEC C3D 1 1 13 15749 3 2 1 HEC C4A C -1.057 -4.210 -3.287 1.00 . C A . 70 HEC C4A 1 1 13 15750 3 2 1 HEC C4B C -1.666 -0.400 -1.461 1.00 . C A . 70 HEC C4B 1 1 13 15751 3 2 1 HEC C4C C -4.966 0.389 -4.065 1.00 . C A . 70 HEC C4C 1 1 13 15752 3 2 1 HEC C4D C -4.107 -3.278 -6.139 1.00 . C A . 70 HEC C4D 1 1 13 15753 3 2 1 HEC CAA C -1.460 -6.902 -5.855 1.00 . C A . 70 HEC CAA 1 1 13 15754 3 2 1 HEC CAB C -0.197 0.471 0.574 1.00 . C A . 70 HEC CAB 1 1 13 15755 3 2 1 HEC CAC C -6.657 2.409 -3.620 1.00 . C A . 70 HEC CAC 1 1 13 15756 3 2 1 HEC CAD C -5.525 -4.185 -8.172 1.00 . C A . 70 HEC CAD 1 1 13 15757 3 2 1 HEC CBA C -2.523 -7.924 -5.430 1.00 . C A . 70 HEC CBA 1 1 13 15758 3 2 1 HEC CBB C 1.240 0.944 0.304 1.00 . C A . 70 HEC CBB 1 1 13 15759 3 2 1 HEC CBC C -6.709 3.605 -4.574 1.00 . C A . 70 HEC CBC 1 1 13 15760 3 2 1 HEC CBD C -4.529 -4.248 -9.340 1.00 . C A . 70 HEC CBD 1 1 13 15761 3 2 1 HEC CGA C -2.491 -9.203 -6.277 1.00 . C A . 70 HEC CGA 1 1 13 15762 3 2 1 HEC CGD C -4.813 -3.226 -10.448 1.00 . C A . 70 HEC CGD 1 1 13 15763 3 2 1 HEC CHA C -3.232 -4.347 -6.104 1.00 . C A . 70 HEC CHA 1 1 13 15764 3 2 1 HEC CHB C -0.501 -3.695 -2.145 1.00 . C A . 70 HEC CHB 1 1 13 15765 3 2 1 HEC CHC C -2.437 0.736 -1.587 1.00 . C A . 70 HEC CHC 1 1 13 15766 3 2 1 HEC CHD C -5.687 -0.243 -5.054 1.00 . C A . 70 HEC CHD 1 1 13 15767 3 2 1 HEC CMA C 0.248 -6.497 -3.220 1.00 . C A . 70 HEC CMA 1 1 13 15768 3 2 1 HEC CMB C 0.843 -2.551 0.318 1.00 . C A . 70 HEC CMB 1 1 13 15769 3 2 1 HEC CMC C -4.102 3.304 -1.874 1.00 . C A . 70 HEC CMC 1 1 13 15770 3 2 1 HEC CMD C -7.103 -1.547 -7.550 1.00 . C A . 70 HEC CMD 1 1 13 15771 3 2 1 HEC FE FE -2.911 -1.849 -3.773 1.00 . C A . 70 HEC FE 1 1 13 15772 3 2 1 HEC HAA1 H -1.637 -6.625 -6.894 1.00 . C A . 70 HEC HAA1 1 1 13 15773 3 2 1 HEC HAA2 H -0.485 -7.389 -5.827 1.00 . C A . 70 HEC HAA2 1 1 13 15774 3 2 1 HEC HAB H -0.812 1.362 0.513 1.00 . C A . 70 HEC HAB 1 1 13 15775 3 2 1 HEC HAC H -7.414 1.697 -3.946 1.00 . C A . 70 HEC HAC 1 1 13 15776 3 2 1 HEC HAD1 H -5.556 -5.165 -7.697 1.00 . C A . 70 HEC HAD1 1 1 13 15777 3 2 1 HEC HAD2 H -6.516 -3.985 -8.577 1.00 . C A . 70 HEC HAD2 1 1 13 15778 3 2 1 HEC HBA1 H -2.355 -8.183 -4.382 1.00 . C A . 70 HEC HBA1 1 1 13 15779 3 2 1 HEC HBA2 H -3.508 -7.463 -5.517 1.00 . C A . 70 HEC HBA2 1 1 13 15780 3 2 1 HEC HBB1 H 1.973 0.197 0.603 1.00 . C A . 70 HEC HBB1 1 1 13 15781 3 2 1 HEC HBB2 H 1.361 1.143 -0.763 1.00 . C A . 70 HEC HBB2 1 1 13 15782 3 2 1 HEC HBB3 H 1.447 1.868 0.836 1.00 . C A . 70 HEC HBB3 1 1 13 15783 3 2 1 HEC HBC1 H -7.646 4.146 -4.435 1.00 . C A . 70 HEC HBC1 1 1 13 15784 3 2 1 HEC HBC2 H -5.884 4.283 -4.372 1.00 . C A . 70 HEC HBC2 1 1 13 15785 3 2 1 HEC HBC3 H -6.675 3.271 -5.605 1.00 . C A . 70 HEC HBC3 1 1 13 15786 3 2 1 HEC HBD1 H -3.510 -4.110 -8.974 1.00 . C A . 70 HEC HBD1 1 1 13 15787 3 2 1 HEC HBD2 H -4.593 -5.247 -9.774 1.00 . C A . 70 HEC HBD2 1 1 13 15788 3 2 1 HEC HHA H -3.343 -5.127 -6.837 1.00 . C A . 70 HEC HHA 1 1 13 15789 3 2 1 HEC HHB H 0.218 -4.274 -1.582 1.00 . C A . 70 HEC HHB 1 1 13 15790 3 2 1 HEC HHC H -2.314 1.533 -0.881 1.00 . C A . 70 HEC HHC 1 1 13 15791 3 2 1 HEC HHD H -6.579 0.235 -5.411 1.00 . C A . 70 HEC HHD 1 1 13 15792 3 2 1 HEC HMA1 H 1.270 -6.190 -3.441 1.00 . C A . 70 HEC HMA1 1 1 13 15793 3 2 1 HEC HMA2 H 0.103 -6.539 -2.142 1.00 . C A . 70 HEC HMA2 1 1 13 15794 3 2 1 HEC HMA3 H 0.070 -7.496 -3.616 1.00 . C A . 70 HEC HMA3 1 1 13 15795 3 2 1 HEC HMB1 H 1.611 -3.023 -0.288 1.00 . C A . 70 HEC HMB1 1 1 13 15796 3 2 1 HEC HMB2 H 1.315 -1.872 1.021 1.00 . C A . 70 HEC HMB2 1 1 13 15797 3 2 1 HEC HMB3 H 0.319 -3.327 0.871 1.00 . C A . 70 HEC HMB3 1 1 13 15798 3 2 1 HEC HMC1 H -4.463 3.209 -0.852 1.00 . C A . 70 HEC HMC1 1 1 13 15799 3 2 1 HEC HMC2 H -3.046 3.564 -1.860 1.00 . C A . 70 HEC HMC2 1 1 13 15800 3 2 1 HEC HMC3 H -4.639 4.110 -2.370 1.00 . C A . 70 HEC HMC3 1 1 13 15801 3 2 1 HEC HMD1 H -7.950 -2.199 -7.345 1.00 . C A . 70 HEC HMD1 1 1 13 15802 3 2 1 HEC HMD2 H -7.365 -0.525 -7.291 1.00 . C A . 70 HEC HMD2 1 1 13 15803 3 2 1 HEC HMD3 H -6.869 -1.576 -8.616 1.00 . C A . 70 HEC HMD3 1 1 13 15804 3 2 1 HEC NA N -2.003 -3.647 -4.092 1.00 . C A . 70 HEC NA 1 1 13 15805 3 2 1 HEC NB N -1.705 -1.533 -2.213 1.00 . C A . 70 HEC NB 1 1 13 15806 3 2 1 HEC NC N -3.849 -0.069 -3.420 1.00 . C A . 70 HEC NC 1 1 13 15807 3 2 1 HEC ND N -4.180 -2.205 -5.298 1.00 . C A . 70 HEC ND 1 1 13 15808 3 2 1 HEC O1A O -2.945 -10.248 -5.759 1.00 . C A . 70 HEC O1A 1 1 13 15809 3 2 1 HEC O1D O -4.734 -2.010 -10.174 1.00 . C A . 70 HEC O1D 1 1 13 15810 3 2 1 HEC O2A O -2.017 -9.115 -7.432 1.00 . C A . 70 HEC O2A 1 1 13 15811 3 2 1 HEC O2D O -5.078 -3.666 -11.593 1.00 . C A . 70 HEC O2D 1 1 13 15812 4 2 1 HEC C1A C 3.300 -5.539 9.264 1.00 . D A . 71 HEC C1A 1 1 13 15813 4 2 1 HEC C1B C -0.069 -8.137 9.619 1.00 . D A . 71 HEC C1B 1 1 13 15814 4 2 1 HEC C1C C -1.484 -6.857 5.811 1.00 . D A . 71 HEC C1C 1 1 13 15815 4 2 1 HEC C1D C 1.736 -4.046 5.570 1.00 . D A . 71 HEC C1D 1 1 13 15816 4 2 1 HEC C2A C 3.956 -5.944 10.488 1.00 . D A . 71 HEC C2A 1 1 13 15817 4 2 1 HEC C2B C -1.113 -9.103 9.869 1.00 . D A . 71 HEC C2B 1 1 13 15818 4 2 1 HEC C2C C -2.085 -6.542 4.541 1.00 . D A . 71 HEC C2C 1 1 13 15819 4 2 1 HEC C2D C 2.742 -3.029 5.365 1.00 . D A . 71 HEC C2D 1 1 13 15820 4 2 1 HEC C3A C 3.109 -6.826 11.115 1.00 . D A . 71 HEC C3A 1 1 13 15821 4 2 1 HEC C3B C -2.004 -9.021 8.825 1.00 . D A . 71 HEC C3B 1 1 13 15822 4 2 1 HEC C3C C -1.385 -5.482 4.015 1.00 . D A . 71 HEC C3C 1 1 13 15823 4 2 1 HEC C3D C 3.647 -3.117 6.398 1.00 . D A . 71 HEC C3D 1 1 13 15824 4 2 1 HEC C4A C 1.994 -7.054 10.223 1.00 . D A . 71 HEC C4A 1 1 13 15825 4 2 1 HEC C4B C -1.427 -8.101 7.866 1.00 . D A . 71 HEC C4B 1 1 13 15826 4 2 1 HEC C4C C -0.276 -5.226 4.919 1.00 . D A . 71 HEC C4C 1 1 13 15827 4 2 1 HEC C4D C 3.159 -4.158 7.284 1.00 . D A . 71 HEC C4D 1 1 13 15828 4 2 1 HEC CAA C 5.282 -5.424 11.017 1.00 . D A . 71 HEC CAA 1 1 13 15829 4 2 1 HEC CAB C -3.401 -9.625 8.777 1.00 . D A . 71 HEC CAB 1 1 13 15830 4 2 1 HEC CAC C -1.655 -4.798 2.685 1.00 . D A . 71 HEC CAC 1 1 13 15831 4 2 1 HEC CAD C 4.847 -2.189 6.557 1.00 . D A . 71 HEC CAD 1 1 13 15832 4 2 1 HEC CBA C 6.530 -6.003 10.335 1.00 . D A . 71 HEC CBA 1 1 13 15833 4 2 1 HEC CBB C -4.254 -9.287 10.003 1.00 . D A . 71 HEC CBB 1 1 13 15834 4 2 1 HEC CBC C -3.071 -4.222 2.534 1.00 . D A . 71 HEC CBC 1 1 13 15835 4 2 1 HEC CBD C 6.181 -2.745 7.104 1.00 . D A . 71 HEC CBD 1 1 13 15836 4 2 1 HEC CGA C 6.986 -7.383 10.829 1.00 . D A . 71 HEC CGA 1 1 13 15837 4 2 1 HEC CGD C 6.501 -2.401 8.576 1.00 . D A . 71 HEC CGD 1 1 13 15838 4 2 1 HEC CHA C 3.782 -4.558 8.438 1.00 . D A . 71 HEC CHA 1 1 13 15839 4 2 1 HEC CHB C 0.965 -7.920 10.503 1.00 . D A . 71 HEC CHB 1 1 13 15840 4 2 1 HEC CHC C -1.988 -7.823 6.641 1.00 . D A . 71 HEC CHC 1 1 13 15841 4 2 1 HEC CHD C 0.701 -4.279 4.686 1.00 . D A . 71 HEC CHD 1 1 13 15842 4 2 1 HEC CMA C 3.273 -7.381 12.513 1.00 . D A . 71 HEC CMA 1 1 13 15843 4 2 1 HEC CMB C -1.155 -10.065 11.036 1.00 . D A . 71 HEC CMB 1 1 13 15844 4 2 1 HEC CMC C -3.264 -7.268 3.928 1.00 . D A . 71 HEC CMC 1 1 13 15845 4 2 1 HEC CMD C 2.789 -2.013 4.245 1.00 . D A . 71 HEC CMD 1 1 13 15846 4 2 1 HEC FE FE 0.836 -6.153 7.583 1.00 . D A . 71 HEC FE 1 1 13 15847 4 2 1 HEC HAA1 H 5.321 -4.361 10.801 1.00 . D A . 71 HEC HAA1 1 1 13 15848 4 2 1 HEC HAA2 H 5.365 -5.557 12.094 1.00 . D A . 71 HEC HAA2 1 1 13 15849 4 2 1 HEC HAB H -3.956 -9.204 7.944 1.00 . D A . 71 HEC HAB 1 1 13 15850 4 2 1 HEC HAC H -1.001 -3.943 2.572 1.00 . D A . 71 HEC HAC 1 1 13 15851 4 2 1 HEC HAD1 H 5.091 -1.816 5.564 1.00 . D A . 71 HEC HAD1 1 1 13 15852 4 2 1 HEC HAD2 H 4.543 -1.327 7.136 1.00 . D A . 71 HEC HAD2 1 1 13 15853 4 2 1 HEC HBA1 H 6.316 -6.046 9.270 1.00 . D A . 71 HEC HBA1 1 1 13 15854 4 2 1 HEC HBA2 H 7.358 -5.313 10.502 1.00 . D A . 71 HEC HBA2 1 1 13 15855 4 2 1 HEC HBB1 H -5.265 -9.670 9.854 1.00 . D A . 71 HEC HBB1 1 1 13 15856 4 2 1 HEC HBB2 H -3.844 -9.731 10.908 1.00 . D A . 71 HEC HBB2 1 1 13 15857 4 2 1 HEC HBB3 H -4.302 -8.204 10.124 1.00 . D A . 71 HEC HBB3 1 1 13 15858 4 2 1 HEC HBC1 H -3.256 -3.494 3.324 1.00 . D A . 71 HEC HBC1 1 1 13 15859 4 2 1 HEC HBC2 H -3.159 -3.727 1.565 1.00 . D A . 71 HEC HBC2 1 1 13 15860 4 2 1 HEC HBC3 H -3.835 -4.993 2.584 1.00 . D A . 71 HEC HBC3 1 1 13 15861 4 2 1 HEC HBD1 H 6.218 -3.821 6.939 1.00 . D A . 71 HEC HBD1 1 1 13 15862 4 2 1 HEC HBD2 H 6.974 -2.294 6.509 1.00 . D A . 71 HEC HBD2 1 1 13 15863 4 2 1 HEC HHA H 4.697 -4.084 8.713 1.00 . D A . 71 HEC HHA 1 1 13 15864 4 2 1 HEC HHB H 0.960 -8.449 11.434 1.00 . D A . 71 HEC HHB 1 1 13 15865 4 2 1 HEC HHC H -2.845 -8.370 6.312 1.00 . D A . 71 HEC HHC 1 1 13 15866 4 2 1 HEC HHD H 0.686 -3.737 3.756 1.00 . D A . 71 HEC HHD 1 1 13 15867 4 2 1 HEC HMA1 H 2.894 -8.396 12.580 1.00 . D A . 71 HEC HMA1 1 1 13 15868 4 2 1 HEC HMA2 H 4.324 -7.389 12.796 1.00 . D A . 71 HEC HMA2 1 1 13 15869 4 2 1 HEC HMA3 H 2.725 -6.745 13.209 1.00 . D A . 71 HEC HMA3 1 1 13 15870 4 2 1 HEC HMB1 H -0.171 -10.510 11.172 1.00 . D A . 71 HEC HMB1 1 1 13 15871 4 2 1 HEC HMB2 H -1.448 -9.532 11.940 1.00 . D A . 71 HEC HMB2 1 1 13 15872 4 2 1 HEC HMB3 H -1.858 -10.871 10.842 1.00 . D A . 71 HEC HMB3 1 1 13 15873 4 2 1 HEC HMC1 H -3.155 -8.341 4.076 1.00 . D A . 71 HEC HMC1 1 1 13 15874 4 2 1 HEC HMC2 H -4.182 -6.926 4.405 1.00 . D A . 71 HEC HMC2 1 1 13 15875 4 2 1 HEC HMC3 H -3.311 -7.092 2.857 1.00 . D A . 71 HEC HMC3 1 1 13 15876 4 2 1 HEC HMD1 H 3.118 -1.059 4.646 1.00 . D A . 71 HEC HMD1 1 1 13 15877 4 2 1 HEC HMD2 H 3.495 -2.330 3.484 1.00 . D A . 71 HEC HMD2 1 1 13 15878 4 2 1 HEC HMD3 H 1.814 -1.859 3.790 1.00 . D A . 71 HEC HMD3 1 1 13 15879 4 2 1 HEC NA N 2.149 -6.266 9.134 1.00 . D A . 71 HEC NA 1 1 13 15880 4 2 1 HEC NB N -0.294 -7.573 8.405 1.00 . D A . 71 HEC NB 1 1 13 15881 4 2 1 HEC NC N -0.406 -6.068 5.990 1.00 . D A . 71 HEC NC 1 1 13 15882 4 2 1 HEC ND N 2.005 -4.673 6.749 1.00 . D A . 71 HEC ND 1 1 13 15883 4 2 1 HEC O1A O 7.653 -8.089 10.035 1.00 . D A . 71 HEC O1A 1 1 13 15884 4 2 1 HEC O1D O 7.543 -2.883 9.067 1.00 . D A . 71 HEC O1D 1 1 13 15885 4 2 1 HEC O2A O 6.633 -7.751 11.971 1.00 . D A . 71 HEC O2A 1 1 13 15886 4 2 1 HEC O2D O 5.674 -1.721 9.226 1.00 . D A . 71 HEC O2D 1 1 14 15887 1 1 1 ALA C C 8.769 4.182 -9.461 1.00 . A A . 1 ALA C 1 1 14 15888 1 1 1 ALA CA C 9.347 5.444 -8.832 1.00 . A A . 1 ALA CA 1 1 14 15889 1 1 1 ALA CB C 8.501 5.922 -7.654 1.00 . A A . 1 ALA CB 1 1 14 15890 1 1 1 ALA H1 H 8.502 6.660 -10.204 1.00 . A A . 1 ALA H1 1 1 14 15891 1 1 1 ALA H2 H 9.867 7.311 -9.483 1.00 . A A . 1 ALA H2 1 1 14 15892 1 1 1 ALA H3 H 9.979 6.097 -10.628 1.00 . A A . 1 ALA H3 1 1 14 15893 1 1 1 ALA HA H 10.359 5.236 -8.480 1.00 . A A . 1 ALA HA 1 1 14 15894 1 1 1 ALA HB1 H 7.437 5.768 -7.848 1.00 . A A . 1 ALA HB1 1 1 14 15895 1 1 1 ALA HB2 H 8.807 5.359 -6.775 1.00 . A A . 1 ALA HB2 1 1 14 15896 1 1 1 ALA HB3 H 8.670 6.980 -7.458 1.00 . A A . 1 ALA HB3 1 1 14 15897 1 1 1 ALA N N 9.438 6.482 -9.867 1.00 . A A . 1 ALA N 1 1 14 15898 1 1 1 ALA O O 8.338 4.242 -10.613 1.00 . A A . 1 ALA O 1 1 14 15899 1 1 2 ASP C C 8.522 0.835 -7.938 1.00 . A A . 2 ASP C 1 1 14 15900 1 1 2 ASP CA C 8.549 1.722 -9.181 1.00 . A A . 2 ASP CA 1 1 14 15901 1 1 2 ASP CB C 9.619 1.307 -10.198 1.00 . A A . 2 ASP CB 1 1 14 15902 1 1 2 ASP CG C 11.021 1.443 -9.626 1.00 . A A . 2 ASP CG 1 1 14 15903 1 1 2 ASP H H 9.072 3.111 -7.758 1.00 . A A . 2 ASP H 1 1 14 15904 1 1 2 ASP HA H 7.580 1.660 -9.656 1.00 . A A . 2 ASP HA 1 1 14 15905 1 1 2 ASP HB2 H 9.457 0.274 -10.506 1.00 . A A . 2 ASP HB2 1 1 14 15906 1 1 2 ASP HB3 H 9.550 1.933 -11.085 1.00 . A A . 2 ASP HB3 1 1 14 15907 1 1 2 ASP N N 8.761 3.079 -8.718 1.00 . A A . 2 ASP N 1 1 14 15908 1 1 2 ASP O O 8.653 1.351 -6.826 1.00 . A A . 2 ASP O 1 1 14 15909 1 1 2 ASP OD1 O 11.512 2.594 -9.618 1.00 . A A . 2 ASP OD1 1 1 14 15910 1 1 2 ASP OD2 O 11.558 0.398 -9.208 1.00 . A A . 2 ASP OD2 1 1 14 15911 1 1 3 VAL C C 8.883 -1.342 -5.897 1.00 . A A . 3 VAL C 1 1 14 15912 1 1 3 VAL CA C 7.868 -1.366 -7.044 1.00 . A A . 3 VAL CA 1 1 14 15913 1 1 3 VAL CB C 7.599 -2.779 -7.602 1.00 . A A . 3 VAL CB 1 1 14 15914 1 1 3 VAL CG1 C 8.764 -3.367 -8.413 1.00 . A A . 3 VAL CG1 1 1 14 15915 1 1 3 VAL CG2 C 7.225 -3.762 -6.483 1.00 . A A . 3 VAL CG2 1 1 14 15916 1 1 3 VAL H H 8.198 -0.798 -9.065 1.00 . A A . 3 VAL H 1 1 14 15917 1 1 3 VAL HA H 6.922 -0.999 -6.648 1.00 . A A . 3 VAL HA 1 1 14 15918 1 1 3 VAL HB H 6.746 -2.706 -8.278 1.00 . A A . 3 VAL HB 1 1 14 15919 1 1 3 VAL HG11 H 9.035 -2.708 -9.238 1.00 . A A . 3 VAL HG11 1 1 14 15920 1 1 3 VAL HG12 H 9.636 -3.524 -7.782 1.00 . A A . 3 VAL HG12 1 1 14 15921 1 1 3 VAL HG13 H 8.460 -4.328 -8.830 1.00 . A A . 3 VAL HG13 1 1 14 15922 1 1 3 VAL HG21 H 6.429 -3.349 -5.864 1.00 . A A . 3 VAL HG21 1 1 14 15923 1 1 3 VAL HG22 H 6.876 -4.698 -6.920 1.00 . A A . 3 VAL HG22 1 1 14 15924 1 1 3 VAL HG23 H 8.089 -3.970 -5.852 1.00 . A A . 3 VAL HG23 1 1 14 15925 1 1 3 VAL N N 8.229 -0.454 -8.121 1.00 . A A . 3 VAL N 1 1 14 15926 1 1 3 VAL O O 10.040 -1.717 -6.076 1.00 . A A . 3 VAL O 1 1 14 15927 1 1 4 VAL C C 8.693 -2.256 -2.737 1.00 . A A . 4 VAL C 1 1 14 15928 1 1 4 VAL CA C 9.222 -1.044 -3.489 1.00 . A A . 4 VAL CA 1 1 14 15929 1 1 4 VAL CB C 9.118 0.244 -2.657 1.00 . A A . 4 VAL CB 1 1 14 15930 1 1 4 VAL CG1 C 9.771 0.092 -1.271 1.00 . A A . 4 VAL CG1 1 1 14 15931 1 1 4 VAL CG2 C 9.788 1.414 -3.388 1.00 . A A . 4 VAL CG2 1 1 14 15932 1 1 4 VAL H H 7.447 -0.755 -4.577 1.00 . A A . 4 VAL H 1 1 14 15933 1 1 4 VAL HA H 10.279 -1.201 -3.694 1.00 . A A . 4 VAL HA 1 1 14 15934 1 1 4 VAL HB H 8.066 0.482 -2.539 1.00 . A A . 4 VAL HB 1 1 14 15935 1 1 4 VAL HG11 H 10.800 -0.254 -1.375 1.00 . A A . 4 VAL HG11 1 1 14 15936 1 1 4 VAL HG12 H 9.773 1.050 -0.753 1.00 . A A . 4 VAL HG12 1 1 14 15937 1 1 4 VAL HG13 H 9.223 -0.623 -0.655 1.00 . A A . 4 VAL HG13 1 1 14 15938 1 1 4 VAL HG21 H 9.301 1.587 -4.345 1.00 . A A . 4 VAL HG21 1 1 14 15939 1 1 4 VAL HG22 H 9.701 2.321 -2.788 1.00 . A A . 4 VAL HG22 1 1 14 15940 1 1 4 VAL HG23 H 10.843 1.196 -3.556 1.00 . A A . 4 VAL HG23 1 1 14 15941 1 1 4 VAL N N 8.437 -0.933 -4.706 1.00 . A A . 4 VAL N 1 1 14 15942 1 1 4 VAL O O 7.540 -2.663 -2.910 1.00 . A A . 4 VAL O 1 1 14 15943 1 1 5 THR C C 9.571 -3.050 0.545 1.00 . A A . 5 THR C 1 1 14 15944 1 1 5 THR CA C 9.065 -3.617 -0.776 1.00 . A A . 5 THR CA 1 1 14 15945 1 1 5 THR CB C 9.445 -5.090 -0.985 1.00 . A A . 5 THR CB 1 1 14 15946 1 1 5 THR CG2 C 10.942 -5.324 -1.207 1.00 . A A . 5 THR CG2 1 1 14 15947 1 1 5 THR H H 10.474 -2.441 -1.769 1.00 . A A . 5 THR H 1 1 14 15948 1 1 5 THR HA H 7.985 -3.495 -0.748 1.00 . A A . 5 THR HA 1 1 14 15949 1 1 5 THR HB H 8.904 -5.469 -1.854 1.00 . A A . 5 THR HB 1 1 14 15950 1 1 5 THR HG1 H 8.281 -5.348 0.513 1.00 . A A . 5 THR HG1 1 1 14 15951 1 1 5 THR HG21 H 11.120 -6.393 -1.335 1.00 . A A . 5 THR HG21 1 1 14 15952 1 1 5 THR HG22 H 11.280 -4.806 -2.104 1.00 . A A . 5 THR HG22 1 1 14 15953 1 1 5 THR HG23 H 11.516 -4.975 -0.349 1.00 . A A . 5 THR HG23 1 1 14 15954 1 1 5 THR N N 9.538 -2.809 -1.868 1.00 . A A . 5 THR N 1 1 14 15955 1 1 5 THR O O 10.728 -2.648 0.650 1.00 . A A . 5 THR O 1 1 14 15956 1 1 5 THR OG1 O 9.046 -5.813 0.153 1.00 . A A . 5 THR OG1 1 1 14 15957 1 1 6 TYR C C 9.546 -4.306 3.361 1.00 . A A . 6 TYR C 1 1 14 15958 1 1 6 TYR CA C 9.107 -2.913 2.930 1.00 . A A . 6 TYR CA 1 1 14 15959 1 1 6 TYR CB C 7.968 -2.373 3.807 1.00 . A A . 6 TYR CB 1 1 14 15960 1 1 6 TYR CD1 C 8.587 0.080 3.648 1.00 . A A . 6 TYR CD1 1 1 14 15961 1 1 6 TYR CD2 C 6.297 -0.569 3.155 1.00 . A A . 6 TYR CD2 1 1 14 15962 1 1 6 TYR CE1 C 8.266 1.421 3.376 1.00 . A A . 6 TYR CE1 1 1 14 15963 1 1 6 TYR CE2 C 5.990 0.770 2.849 1.00 . A A . 6 TYR CE2 1 1 14 15964 1 1 6 TYR CG C 7.602 -0.920 3.548 1.00 . A A . 6 TYR CG 1 1 14 15965 1 1 6 TYR CZ C 6.945 1.780 3.069 1.00 . A A . 6 TYR CZ 1 1 14 15966 1 1 6 TYR H H 7.762 -3.403 1.369 1.00 . A A . 6 TYR H 1 1 14 15967 1 1 6 TYR HA H 9.952 -2.236 3.009 1.00 . A A . 6 TYR HA 1 1 14 15968 1 1 6 TYR HB2 H 7.089 -3.006 3.683 1.00 . A A . 6 TYR HB2 1 1 14 15969 1 1 6 TYR HB3 H 8.286 -2.445 4.847 1.00 . A A . 6 TYR HB3 1 1 14 15970 1 1 6 TYR HD1 H 9.599 -0.172 3.932 1.00 . A A . 6 TYR HD1 1 1 14 15971 1 1 6 TYR HD2 H 5.558 -1.336 2.982 1.00 . A A . 6 TYR HD2 1 1 14 15972 1 1 6 TYR HE1 H 9.049 2.162 3.371 1.00 . A A . 6 TYR HE1 1 1 14 15973 1 1 6 TYR HE2 H 5.076 0.980 2.309 1.00 . A A . 6 TYR HE2 1 1 14 15974 1 1 6 TYR HH H 7.381 3.688 3.028 1.00 . A A . 6 TYR HH 1 1 14 15975 1 1 6 TYR N N 8.690 -3.031 1.548 1.00 . A A . 6 TYR N 1 1 14 15976 1 1 6 TYR O O 8.694 -5.168 3.597 1.00 . A A . 6 TYR O 1 1 14 15977 1 1 6 TYR OH O 6.604 3.100 2.968 1.00 . A A . 6 TYR OH 1 1 14 15978 1 1 7 GLU C C 11.288 -6.089 5.312 1.00 . A A . 7 GLU C 1 1 14 15979 1 1 7 GLU CA C 11.430 -5.822 3.813 1.00 . A A . 7 GLU CA 1 1 14 15980 1 1 7 GLU CB C 12.846 -6.004 3.283 1.00 . A A . 7 GLU CB 1 1 14 15981 1 1 7 GLU CD C 15.228 -5.188 3.092 1.00 . A A . 7 GLU CD 1 1 14 15982 1 1 7 GLU CG C 13.812 -4.838 3.541 1.00 . A A . 7 GLU CG 1 1 14 15983 1 1 7 GLU H H 11.505 -3.803 3.178 1.00 . A A . 7 GLU H 1 1 14 15984 1 1 7 GLU HA H 10.854 -6.589 3.303 1.00 . A A . 7 GLU HA 1 1 14 15985 1 1 7 GLU HB2 H 13.217 -6.911 3.758 1.00 . A A . 7 GLU HB2 1 1 14 15986 1 1 7 GLU HB3 H 12.779 -6.178 2.211 1.00 . A A . 7 GLU HB3 1 1 14 15987 1 1 7 GLU HG2 H 13.497 -3.951 2.991 1.00 . A A . 7 GLU HG2 1 1 14 15988 1 1 7 GLU HG3 H 13.846 -4.609 4.606 1.00 . A A . 7 GLU HG3 1 1 14 15989 1 1 7 GLU N N 10.862 -4.538 3.431 1.00 . A A . 7 GLU N 1 1 14 15990 1 1 7 GLU O O 12.242 -6.161 6.083 1.00 . A A . 7 GLU O 1 1 14 15991 1 1 7 GLU OE1 O 15.683 -6.295 3.453 1.00 . A A . 7 GLU OE1 1 1 14 15992 1 1 7 GLU OE2 O 15.825 -4.346 2.388 1.00 . A A . 7 GLU OE2 1 1 14 15993 1 1 8 ASN C C 9.824 -8.123 7.270 1.00 . A A . 8 ASN C 1 1 14 15994 1 1 8 ASN CA C 9.590 -6.642 7.023 1.00 . A A . 8 ASN CA 1 1 14 15995 1 1 8 ASN CB C 8.126 -6.264 7.230 1.00 . A A . 8 ASN CB 1 1 14 15996 1 1 8 ASN CG C 7.157 -7.027 6.326 1.00 . A A . 8 ASN CG 1 1 14 15997 1 1 8 ASN H H 9.383 -6.219 4.923 1.00 . A A . 8 ASN H 1 1 14 15998 1 1 8 ASN HA H 10.184 -6.076 7.743 1.00 . A A . 8 ASN HA 1 1 14 15999 1 1 8 ASN HB2 H 7.866 -6.449 8.264 1.00 . A A . 8 ASN HB2 1 1 14 16000 1 1 8 ASN HB3 H 8.033 -5.191 7.062 1.00 . A A . 8 ASN HB3 1 1 14 16001 1 1 8 ASN HD21 H 6.610 -5.285 5.449 1.00 . A A . 8 ASN HD21 1 1 14 16002 1 1 8 ASN HD22 H 5.813 -6.726 4.849 1.00 . A A . 8 ASN HD22 1 1 14 16003 1 1 8 ASN N N 10.033 -6.280 5.689 1.00 . A A . 8 ASN N 1 1 14 16004 1 1 8 ASN ND2 N 6.471 -6.287 5.469 1.00 . A A . 8 ASN ND2 1 1 14 16005 1 1 8 ASN O O 10.050 -8.889 6.327 1.00 . A A . 8 ASN O 1 1 14 16006 1 1 8 ASN OD1 O 7.008 -8.250 6.371 1.00 . A A . 8 ASN OD1 1 1 14 16007 1 1 9 LYS C C 9.214 -10.861 8.734 1.00 . A A . 9 LYS C 1 1 14 16008 1 1 9 LYS CA C 10.277 -9.796 8.996 1.00 . A A . 9 LYS CA 1 1 14 16009 1 1 9 LYS CB C 10.679 -9.699 10.481 1.00 . A A . 9 LYS CB 1 1 14 16010 1 1 9 LYS CD C 11.836 -12.005 10.680 1.00 . A A . 9 LYS CD 1 1 14 16011 1 1 9 LYS CE C 12.390 -12.443 9.312 1.00 . A A . 9 LYS CE 1 1 14 16012 1 1 9 LYS CG C 11.944 -10.484 10.879 1.00 . A A . 9 LYS CG 1 1 14 16013 1 1 9 LYS H H 9.277 -7.987 9.237 1.00 . A A . 9 LYS H 1 1 14 16014 1 1 9 LYS HA H 11.156 -9.969 8.386 1.00 . A A . 9 LYS HA 1 1 14 16015 1 1 9 LYS HB2 H 10.893 -8.654 10.714 1.00 . A A . 9 LYS HB2 1 1 14 16016 1 1 9 LYS HB3 H 9.839 -10.004 11.106 1.00 . A A . 9 LYS HB3 1 1 14 16017 1 1 9 LYS HD2 H 12.423 -12.498 11.457 1.00 . A A . 9 LYS HD2 1 1 14 16018 1 1 9 LYS HD3 H 10.793 -12.297 10.814 1.00 . A A . 9 LYS HD3 1 1 14 16019 1 1 9 LYS HE2 H 12.291 -11.627 8.599 1.00 . A A . 9 LYS HE2 1 1 14 16020 1 1 9 LYS HE3 H 13.453 -12.670 9.409 1.00 . A A . 9 LYS HE3 1 1 14 16021 1 1 9 LYS HG2 H 12.812 -10.084 10.350 1.00 . A A . 9 LYS HG2 1 1 14 16022 1 1 9 LYS HG3 H 12.101 -10.294 11.943 1.00 . A A . 9 LYS HG3 1 1 14 16023 1 1 9 LYS HZ1 H 10.700 -13.303 8.591 1.00 . A A . 9 LYS HZ1 1 1 14 16024 1 1 9 LYS HZ2 H 12.060 -13.873 7.867 1.00 . A A . 9 LYS HZ2 1 1 14 16025 1 1 9 LYS HZ3 H 11.673 -14.386 9.390 1.00 . A A . 9 LYS HZ3 1 1 14 16026 1 1 9 LYS N N 9.795 -8.519 8.543 1.00 . A A . 9 LYS N 1 1 14 16027 1 1 9 LYS NZ N 11.662 -13.601 8.755 1.00 . A A . 9 LYS NZ 1 1 14 16028 1 1 9 LYS O O 9.569 -12.023 8.534 1.00 . A A . 9 LYS O 1 1 14 16029 1 1 10 LYS C C 7.211 -12.082 7.017 1.00 . A A . 10 LYS C 1 1 14 16030 1 1 10 LYS CA C 6.864 -11.420 8.352 1.00 . A A . 10 LYS CA 1 1 14 16031 1 1 10 LYS CB C 5.502 -10.727 8.192 1.00 . A A . 10 LYS CB 1 1 14 16032 1 1 10 LYS CD C 4.815 -10.885 10.642 1.00 . A A . 10 LYS CD 1 1 14 16033 1 1 10 LYS CE C 5.985 -10.586 11.590 1.00 . A A . 10 LYS CE 1 1 14 16034 1 1 10 LYS CG C 4.907 -9.992 9.393 1.00 . A A . 10 LYS CG 1 1 14 16035 1 1 10 LYS H H 7.701 -9.532 9.030 1.00 . A A . 10 LYS H 1 1 14 16036 1 1 10 LYS HA H 6.791 -12.201 9.109 1.00 . A A . 10 LYS HA 1 1 14 16037 1 1 10 LYS HB2 H 5.583 -9.995 7.398 1.00 . A A . 10 LYS HB2 1 1 14 16038 1 1 10 LYS HB3 H 4.781 -11.482 7.872 1.00 . A A . 10 LYS HB3 1 1 14 16039 1 1 10 LYS HD2 H 3.878 -10.659 11.150 1.00 . A A . 10 LYS HD2 1 1 14 16040 1 1 10 LYS HD3 H 4.795 -11.933 10.339 1.00 . A A . 10 LYS HD3 1 1 14 16041 1 1 10 LYS HE2 H 6.938 -10.615 11.064 1.00 . A A . 10 LYS HE2 1 1 14 16042 1 1 10 LYS HE3 H 5.844 -9.584 11.975 1.00 . A A . 10 LYS HE3 1 1 14 16043 1 1 10 LYS HG2 H 5.465 -9.073 9.572 1.00 . A A . 10 LYS HG2 1 1 14 16044 1 1 10 LYS HG3 H 3.907 -9.685 9.079 1.00 . A A . 10 LYS HG3 1 1 14 16045 1 1 10 LYS HZ1 H 5.194 -11.448 13.278 1.00 . A A . 10 LYS HZ1 1 1 14 16046 1 1 10 LYS HZ2 H 6.227 -12.438 12.449 1.00 . A A . 10 LYS HZ2 1 1 14 16047 1 1 10 LYS HZ3 H 6.813 -11.182 13.343 1.00 . A A . 10 LYS HZ3 1 1 14 16048 1 1 10 LYS N N 7.926 -10.490 8.735 1.00 . A A . 10 LYS N 1 1 14 16049 1 1 10 LYS NZ N 6.053 -11.490 12.751 1.00 . A A . 10 LYS NZ 1 1 14 16050 1 1 10 LYS O O 7.340 -13.301 6.940 1.00 . A A . 10 LYS O 1 1 14 16051 1 1 11 GLY C C 7.371 -10.576 3.649 1.00 . A A . 11 GLY C 1 1 14 16052 1 1 11 GLY CA C 7.470 -11.746 4.614 1.00 . A A . 11 GLY CA 1 1 14 16053 1 1 11 GLY H H 7.293 -10.257 6.135 1.00 . A A . 11 GLY H 1 1 14 16054 1 1 11 GLY HA2 H 8.429 -12.249 4.481 1.00 . A A . 11 GLY HA2 1 1 14 16055 1 1 11 GLY HA3 H 6.667 -12.456 4.406 1.00 . A A . 11 GLY HA3 1 1 14 16056 1 1 11 GLY N N 7.353 -11.259 5.977 1.00 . A A . 11 GLY N 1 1 14 16057 1 1 11 GLY O O 6.462 -10.530 2.832 1.00 . A A . 11 GLY O 1 1 14 16058 1 1 12 ASN C C 7.369 -7.998 2.091 1.00 . A A . 12 ASN C 1 1 14 16059 1 1 12 ASN CA C 8.576 -8.490 2.911 1.00 . A A . 12 ASN CA 1 1 14 16060 1 1 12 ASN CB C 9.748 -8.788 1.968 1.00 . A A . 12 ASN CB 1 1 14 16061 1 1 12 ASN CG C 11.012 -9.388 2.594 1.00 . A A . 12 ASN CG 1 1 14 16062 1 1 12 ASN H H 8.933 -9.760 4.573 1.00 . A A . 12 ASN H 1 1 14 16063 1 1 12 ASN HA H 8.886 -7.685 3.569 1.00 . A A . 12 ASN HA 1 1 14 16064 1 1 12 ASN HB2 H 9.378 -9.473 1.213 1.00 . A A . 12 ASN HB2 1 1 14 16065 1 1 12 ASN HB3 H 10.034 -7.866 1.461 1.00 . A A . 12 ASN HB3 1 1 14 16066 1 1 12 ASN HD21 H 10.643 -8.767 4.554 1.00 . A A . 12 ASN HD21 1 1 14 16067 1 1 12 ASN HD22 H 12.132 -9.605 4.239 1.00 . A A . 12 ASN HD22 1 1 14 16068 1 1 12 ASN N N 8.304 -9.631 3.789 1.00 . A A . 12 ASN N 1 1 14 16069 1 1 12 ASN ND2 N 11.270 -9.218 3.891 1.00 . A A . 12 ASN ND2 1 1 14 16070 1 1 12 ASN O O 7.041 -8.545 1.037 1.00 . A A . 12 ASN O 1 1 14 16071 1 1 12 ASN OD1 O 11.788 -10.027 1.892 1.00 . A A . 12 ASN OD1 1 1 14 16072 1 1 13 VAL C C 5.885 -5.703 0.623 1.00 . A A . 13 VAL C 1 1 14 16073 1 1 13 VAL CA C 5.520 -6.412 1.910 1.00 . A A . 13 VAL CA 1 1 14 16074 1 1 13 VAL CB C 4.711 -5.488 2.834 1.00 . A A . 13 VAL CB 1 1 14 16075 1 1 13 VAL CG1 C 3.801 -4.534 2.048 1.00 . A A . 13 VAL CG1 1 1 14 16076 1 1 13 VAL CG2 C 3.836 -6.362 3.727 1.00 . A A . 13 VAL CG2 1 1 14 16077 1 1 13 VAL H H 7.215 -6.374 3.245 1.00 . A A . 13 VAL H 1 1 14 16078 1 1 13 VAL HA H 4.893 -7.262 1.662 1.00 . A A . 13 VAL HA 1 1 14 16079 1 1 13 VAL HB H 5.388 -4.891 3.444 1.00 . A A . 13 VAL HB 1 1 14 16080 1 1 13 VAL HG11 H 2.989 -4.188 2.682 1.00 . A A . 13 VAL HG11 1 1 14 16081 1 1 13 VAL HG12 H 4.377 -3.672 1.705 1.00 . A A . 13 VAL HG12 1 1 14 16082 1 1 13 VAL HG13 H 3.360 -5.042 1.192 1.00 . A A . 13 VAL HG13 1 1 14 16083 1 1 13 VAL HG21 H 3.708 -5.880 4.692 1.00 . A A . 13 VAL HG21 1 1 14 16084 1 1 13 VAL HG22 H 2.862 -6.536 3.273 1.00 . A A . 13 VAL HG22 1 1 14 16085 1 1 13 VAL HG23 H 4.318 -7.324 3.857 1.00 . A A . 13 VAL HG23 1 1 14 16086 1 1 13 VAL N N 6.725 -6.927 2.552 1.00 . A A . 13 VAL N 1 1 14 16087 1 1 13 VAL O O 6.602 -4.705 0.669 1.00 . A A . 13 VAL O 1 1 14 16088 1 1 14 THR C C 4.439 -4.664 -2.147 1.00 . A A . 14 THR C 1 1 14 16089 1 1 14 THR CA C 5.587 -5.621 -1.812 1.00 . A A . 14 THR CA 1 1 14 16090 1 1 14 THR CB C 5.703 -6.775 -2.816 1.00 . A A . 14 THR CB 1 1 14 16091 1 1 14 THR CG2 C 6.049 -6.278 -4.221 1.00 . A A . 14 THR CG2 1 1 14 16092 1 1 14 THR H H 4.721 -6.983 -0.419 1.00 . A A . 14 THR H 1 1 14 16093 1 1 14 THR HA H 6.527 -5.072 -1.824 1.00 . A A . 14 THR HA 1 1 14 16094 1 1 14 THR HB H 4.759 -7.326 -2.852 1.00 . A A . 14 THR HB 1 1 14 16095 1 1 14 THR HG1 H 6.599 -7.885 -1.468 1.00 . A A . 14 THR HG1 1 1 14 16096 1 1 14 THR HG21 H 5.250 -5.647 -4.612 1.00 . A A . 14 THR HG21 1 1 14 16097 1 1 14 THR HG22 H 6.979 -5.711 -4.193 1.00 . A A . 14 THR HG22 1 1 14 16098 1 1 14 THR HG23 H 6.175 -7.134 -4.884 1.00 . A A . 14 THR HG23 1 1 14 16099 1 1 14 THR N N 5.362 -6.196 -0.497 1.00 . A A . 14 THR N 1 1 14 16100 1 1 14 THR O O 3.274 -5.042 -2.017 1.00 . A A . 14 THR O 1 1 14 16101 1 1 14 THR OG1 O 6.733 -7.650 -2.394 1.00 . A A . 14 THR OG1 1 1 14 16102 1 1 15 PHE C C 4.229 -2.002 -4.464 1.00 . A A . 15 PHE C 1 1 14 16103 1 1 15 PHE CA C 3.769 -2.490 -3.092 1.00 . A A . 15 PHE CA 1 1 14 16104 1 1 15 PHE CB C 3.517 -1.337 -2.109 1.00 . A A . 15 PHE CB 1 1 14 16105 1 1 15 PHE CD1 C 5.544 -1.190 -0.618 1.00 . A A . 15 PHE CD1 1 1 14 16106 1 1 15 PHE CD2 C 4.952 0.740 -1.983 1.00 . A A . 15 PHE CD2 1 1 14 16107 1 1 15 PHE CE1 C 6.578 -0.453 -0.031 1.00 . A A . 15 PHE CE1 1 1 14 16108 1 1 15 PHE CE2 C 5.941 1.499 -1.336 1.00 . A A . 15 PHE CE2 1 1 14 16109 1 1 15 PHE CG C 4.731 -0.596 -1.599 1.00 . A A . 15 PHE CG 1 1 14 16110 1 1 15 PHE CZ C 6.728 0.908 -0.335 1.00 . A A . 15 PHE CZ 1 1 14 16111 1 1 15 PHE H H 5.726 -3.134 -2.608 1.00 . A A . 15 PHE H 1 1 14 16112 1 1 15 PHE HA H 2.806 -2.986 -3.226 1.00 . A A . 15 PHE HA 1 1 14 16113 1 1 15 PHE HB2 H 2.834 -0.621 -2.564 1.00 . A A . 15 PHE HB2 1 1 14 16114 1 1 15 PHE HB3 H 3.015 -1.737 -1.235 1.00 . A A . 15 PHE HB3 1 1 14 16115 1 1 15 PHE HD1 H 5.379 -2.211 -0.303 1.00 . A A . 15 PHE HD1 1 1 14 16116 1 1 15 PHE HD2 H 4.360 1.196 -2.765 1.00 . A A . 15 PHE HD2 1 1 14 16117 1 1 15 PHE HE1 H 7.234 -0.916 0.688 1.00 . A A . 15 PHE HE1 1 1 14 16118 1 1 15 PHE HE2 H 6.120 2.523 -1.631 1.00 . A A . 15 PHE HE2 1 1 14 16119 1 1 15 PHE HZ H 7.502 1.471 0.155 1.00 . A A . 15 PHE HZ 1 1 14 16120 1 1 15 PHE N N 4.751 -3.434 -2.572 1.00 . A A . 15 PHE N 1 1 14 16121 1 1 15 PHE O O 5.218 -1.274 -4.584 1.00 . A A . 15 PHE O 1 1 14 16122 1 1 16 ASP C C 3.355 -0.510 -7.027 1.00 . A A . 16 ASP C 1 1 14 16123 1 1 16 ASP CA C 3.795 -1.965 -6.867 1.00 . A A . 16 ASP CA 1 1 14 16124 1 1 16 ASP CB C 3.215 -2.910 -7.916 1.00 . A A . 16 ASP CB 1 1 14 16125 1 1 16 ASP CG C 3.787 -2.585 -9.290 1.00 . A A . 16 ASP CG 1 1 14 16126 1 1 16 ASP H H 2.718 -3.022 -5.372 1.00 . A A . 16 ASP H 1 1 14 16127 1 1 16 ASP HA H 4.873 -2.006 -7.013 1.00 . A A . 16 ASP HA 1 1 14 16128 1 1 16 ASP HB2 H 3.501 -3.933 -7.672 1.00 . A A . 16 ASP HB2 1 1 14 16129 1 1 16 ASP HB3 H 2.128 -2.847 -7.934 1.00 . A A . 16 ASP HB3 1 1 14 16130 1 1 16 ASP N N 3.508 -2.412 -5.515 1.00 . A A . 16 ASP N 1 1 14 16131 1 1 16 ASP O O 2.251 -0.199 -7.474 1.00 . A A . 16 ASP O 1 1 14 16132 1 1 16 ASP OD1 O 4.060 -1.405 -9.605 1.00 . A A . 16 ASP OD1 1 1 14 16133 1 1 16 ASP OD2 O 3.978 -3.507 -10.107 1.00 . A A . 16 ASP OD2 1 1 14 16134 1 1 17 HIS C C 3.618 2.338 -7.917 1.00 . A A . 17 HIS C 1 1 14 16135 1 1 17 HIS CA C 4.197 1.807 -6.598 1.00 . A A . 17 HIS CA 1 1 14 16136 1 1 17 HIS CB C 5.652 2.241 -6.370 1.00 . A A . 17 HIS CB 1 1 14 16137 1 1 17 HIS CD2 C 4.954 4.631 -5.770 1.00 . A A . 17 HIS CD2 1 1 14 16138 1 1 17 HIS CE1 C 6.835 5.304 -4.878 1.00 . A A . 17 HIS CE1 1 1 14 16139 1 1 17 HIS CG C 5.893 3.654 -5.951 1.00 . A A . 17 HIS CG 1 1 14 16140 1 1 17 HIS H H 5.022 -0.059 -6.071 1.00 . A A . 17 HIS H 1 1 14 16141 1 1 17 HIS HA H 3.575 2.134 -5.764 1.00 . A A . 17 HIS HA 1 1 14 16142 1 1 17 HIS HB2 H 6.069 1.634 -5.564 1.00 . A A . 17 HIS HB2 1 1 14 16143 1 1 17 HIS HB3 H 6.245 2.056 -7.259 1.00 . A A . 17 HIS HB3 1 1 14 16144 1 1 17 HIS HD1 H 7.930 3.566 -5.311 1.00 . A A . 17 HIS HD1 1 1 14 16145 1 1 17 HIS HD2 H 3.911 4.556 -6.020 1.00 . A A . 17 HIS HD2 1 1 14 16146 1 1 17 HIS HE1 H 7.570 5.857 -4.324 1.00 . A A . 17 HIS HE1 1 1 14 16147 1 1 17 HIS N N 4.248 0.361 -6.575 1.00 . A A . 17 HIS N 1 1 14 16148 1 1 17 HIS ND1 N 7.068 4.088 -5.390 1.00 . A A . 17 HIS ND1 1 1 14 16149 1 1 17 HIS NE2 N 5.557 5.673 -5.063 1.00 . A A . 17 HIS NE2 1 1 14 16150 1 1 17 HIS O O 2.522 2.897 -7.956 1.00 . A A . 17 HIS O 1 1 14 16151 1 1 18 LYS C C 2.700 2.010 -10.801 1.00 . A A . 18 LYS C 1 1 14 16152 1 1 18 LYS CA C 4.002 2.652 -10.323 1.00 . A A . 18 LYS CA 1 1 14 16153 1 1 18 LYS CB C 5.199 2.609 -11.273 1.00 . A A . 18 LYS CB 1 1 14 16154 1 1 18 LYS CD C 5.438 0.234 -11.989 1.00 . A A . 18 LYS CD 1 1 14 16155 1 1 18 LYS CE C 4.640 -0.817 -12.769 1.00 . A A . 18 LYS CE 1 1 14 16156 1 1 18 LYS CG C 5.036 1.644 -12.426 1.00 . A A . 18 LYS CG 1 1 14 16157 1 1 18 LYS H H 5.226 1.655 -8.919 1.00 . A A . 18 LYS H 1 1 14 16158 1 1 18 LYS HA H 3.805 3.711 -10.291 1.00 . A A . 18 LYS HA 1 1 14 16159 1 1 18 LYS HB2 H 5.408 3.600 -11.659 1.00 . A A . 18 LYS HB2 1 1 14 16160 1 1 18 LYS HB3 H 6.094 2.366 -10.739 1.00 . A A . 18 LYS HB3 1 1 14 16161 1 1 18 LYS HD2 H 6.513 0.110 -12.140 1.00 . A A . 18 LYS HD2 1 1 14 16162 1 1 18 LYS HD3 H 5.257 0.142 -10.920 1.00 . A A . 18 LYS HD3 1 1 14 16163 1 1 18 LYS HE2 H 3.578 -0.568 -12.734 1.00 . A A . 18 LYS HE2 1 1 14 16164 1 1 18 LYS HE3 H 4.951 -0.821 -13.816 1.00 . A A . 18 LYS HE3 1 1 14 16165 1 1 18 LYS HG2 H 4.030 1.731 -12.832 1.00 . A A . 18 LYS HG2 1 1 14 16166 1 1 18 LYS HG3 H 5.713 1.979 -13.186 1.00 . A A . 18 LYS HG3 1 1 14 16167 1 1 18 LYS HZ1 H 4.199 -2.835 -12.623 1.00 . A A . 18 LYS HZ1 1 1 14 16168 1 1 18 LYS HZ2 H 5.752 -2.479 -12.204 1.00 . A A . 18 LYS HZ2 1 1 14 16169 1 1 18 LYS HZ3 H 4.508 -2.146 -11.198 1.00 . A A . 18 LYS HZ3 1 1 14 16170 1 1 18 LYS N N 4.364 2.162 -9.008 1.00 . A A . 18 LYS N 1 1 14 16171 1 1 18 LYS NZ N 4.799 -2.157 -12.179 1.00 . A A . 18 LYS NZ 1 1 14 16172 1 1 18 LYS O O 1.844 2.720 -11.312 1.00 . A A . 18 LYS O 1 1 14 16173 1 1 19 ALA C C 0.079 0.830 -10.288 1.00 . A A . 19 ALA C 1 1 14 16174 1 1 19 ALA CA C 1.231 0.086 -10.953 1.00 . A A . 19 ALA CA 1 1 14 16175 1 1 19 ALA CB C 1.160 -1.355 -10.497 1.00 . A A . 19 ALA CB 1 1 14 16176 1 1 19 ALA H H 3.276 0.118 -10.265 1.00 . A A . 19 ALA H 1 1 14 16177 1 1 19 ALA HA H 1.102 0.087 -12.034 1.00 . A A . 19 ALA HA 1 1 14 16178 1 1 19 ALA HB1 H 1.316 -1.355 -9.424 1.00 . A A . 19 ALA HB1 1 1 14 16179 1 1 19 ALA HB2 H 0.167 -1.744 -10.712 1.00 . A A . 19 ALA HB2 1 1 14 16180 1 1 19 ALA HB3 H 1.905 -1.949 -11.021 1.00 . A A . 19 ALA HB3 1 1 14 16181 1 1 19 ALA N N 2.515 0.699 -10.623 1.00 . A A . 19 ALA N 1 1 14 16182 1 1 19 ALA O O -0.848 1.260 -10.963 1.00 . A A . 19 ALA O 1 1 14 16183 1 1 20 HIS C C -1.029 3.112 -8.879 1.00 . A A . 20 HIS C 1 1 14 16184 1 1 20 HIS CA C -0.901 1.725 -8.250 1.00 . A A . 20 HIS CA 1 1 14 16185 1 1 20 HIS CB C -0.581 1.801 -6.750 1.00 . A A . 20 HIS CB 1 1 14 16186 1 1 20 HIS CD2 C -1.844 0.286 -5.078 1.00 . A A . 20 HIS CD2 1 1 14 16187 1 1 20 HIS CE1 C -0.689 -1.549 -5.319 1.00 . A A . 20 HIS CE1 1 1 14 16188 1 1 20 HIS CG C -0.854 0.519 -6.003 1.00 . A A . 20 HIS CG 1 1 14 16189 1 1 20 HIS H H 0.968 0.699 -8.465 1.00 . A A . 20 HIS H 1 1 14 16190 1 1 20 HIS HA H -1.857 1.212 -8.372 1.00 . A A . 20 HIS HA 1 1 14 16191 1 1 20 HIS HB2 H 0.462 2.083 -6.605 1.00 . A A . 20 HIS HB2 1 1 14 16192 1 1 20 HIS HB3 H -1.194 2.577 -6.309 1.00 . A A . 20 HIS HB3 1 1 14 16193 1 1 20 HIS HD1 H 0.671 -0.767 -6.740 1.00 . A A . 20 HIS HD1 1 1 14 16194 1 1 20 HIS HD2 H -2.572 1.001 -4.735 1.00 . A A . 20 HIS HD2 1 1 14 16195 1 1 20 HIS HE1 H -0.322 -2.555 -5.228 1.00 . A A . 20 HIS HE1 1 1 14 16196 1 1 20 HIS N N 0.130 0.986 -8.962 1.00 . A A . 20 HIS N 1 1 14 16197 1 1 20 HIS ND1 N -0.137 -0.640 -6.139 1.00 . A A . 20 HIS ND1 1 1 14 16198 1 1 20 HIS NE2 N -1.739 -1.042 -4.646 1.00 . A A . 20 HIS NE2 1 1 14 16199 1 1 20 HIS O O -2.128 3.623 -9.071 1.00 . A A . 20 HIS O 1 1 14 16200 1 1 21 ALA C C -0.743 5.023 -11.171 1.00 . A A . 21 ALA C 1 1 14 16201 1 1 21 ALA CA C 0.075 5.030 -9.871 1.00 . A A . 21 ALA CA 1 1 14 16202 1 1 21 ALA CB C 1.493 5.564 -10.080 1.00 . A A . 21 ALA CB 1 1 14 16203 1 1 21 ALA H H 0.963 3.172 -9.167 1.00 . A A . 21 ALA H 1 1 14 16204 1 1 21 ALA HA H -0.419 5.710 -9.174 1.00 . A A . 21 ALA HA 1 1 14 16205 1 1 21 ALA HB1 H 1.986 5.063 -10.907 1.00 . A A . 21 ALA HB1 1 1 14 16206 1 1 21 ALA HB2 H 1.426 6.623 -10.321 1.00 . A A . 21 ALA HB2 1 1 14 16207 1 1 21 ALA HB3 H 2.085 5.419 -9.175 1.00 . A A . 21 ALA HB3 1 1 14 16208 1 1 21 ALA N N 0.100 3.711 -9.251 1.00 . A A . 21 ALA N 1 1 14 16209 1 1 21 ALA O O -1.695 5.771 -11.312 1.00 . A A . 21 ALA O 1 1 14 16210 1 1 22 GLU C C -2.449 3.645 -13.395 1.00 . A A . 22 GLU C 1 1 14 16211 1 1 22 GLU CA C -1.006 4.154 -13.455 1.00 . A A . 22 GLU CA 1 1 14 16212 1 1 22 GLU CB C -0.116 3.395 -14.457 1.00 . A A . 22 GLU CB 1 1 14 16213 1 1 22 GLU CD C 1.194 1.280 -14.961 1.00 . A A . 22 GLU CD 1 1 14 16214 1 1 22 GLU CG C 0.078 1.908 -14.136 1.00 . A A . 22 GLU CG 1 1 14 16215 1 1 22 GLU H H 0.293 3.489 -11.873 1.00 . A A . 22 GLU H 1 1 14 16216 1 1 22 GLU HA H -1.049 5.188 -13.805 1.00 . A A . 22 GLU HA 1 1 14 16217 1 1 22 GLU HB2 H -0.545 3.478 -15.457 1.00 . A A . 22 GLU HB2 1 1 14 16218 1 1 22 GLU HB3 H 0.866 3.870 -14.472 1.00 . A A . 22 GLU HB3 1 1 14 16219 1 1 22 GLU HG2 H 0.340 1.811 -13.093 1.00 . A A . 22 GLU HG2 1 1 14 16220 1 1 22 GLU HG3 H -0.844 1.359 -14.328 1.00 . A A . 22 GLU HG3 1 1 14 16221 1 1 22 GLU N N -0.401 4.168 -12.126 1.00 . A A . 22 GLU N 1 1 14 16222 1 1 22 GLU O O -3.338 4.221 -14.017 1.00 . A A . 22 GLU O 1 1 14 16223 1 1 22 GLU OE1 O 1.071 1.328 -16.204 1.00 . A A . 22 GLU OE1 1 1 14 16224 1 1 22 GLU OE2 O 2.146 0.756 -14.340 1.00 . A A . 22 GLU OE2 1 1 14 16225 1 1 23 LYS C C -4.928 3.090 -11.758 1.00 . A A . 23 LYS C 1 1 14 16226 1 1 23 LYS CA C -4.009 2.035 -12.377 1.00 . A A . 23 LYS CA 1 1 14 16227 1 1 23 LYS CB C -3.871 0.836 -11.429 1.00 . A A . 23 LYS CB 1 1 14 16228 1 1 23 LYS CD C -3.872 -1.143 -12.994 1.00 . A A . 23 LYS CD 1 1 14 16229 1 1 23 LYS CE C -3.089 -2.388 -13.440 1.00 . A A . 23 LYS CE 1 1 14 16230 1 1 23 LYS CG C -3.045 -0.320 -12.016 1.00 . A A . 23 LYS CG 1 1 14 16231 1 1 23 LYS H H -1.914 2.102 -12.183 1.00 . A A . 23 LYS H 1 1 14 16232 1 1 23 LYS HA H -4.450 1.711 -13.319 1.00 . A A . 23 LYS HA 1 1 14 16233 1 1 23 LYS HB2 H -3.378 1.173 -10.517 1.00 . A A . 23 LYS HB2 1 1 14 16234 1 1 23 LYS HB3 H -4.862 0.475 -11.151 1.00 . A A . 23 LYS HB3 1 1 14 16235 1 1 23 LYS HD2 H -4.778 -1.429 -12.462 1.00 . A A . 23 LYS HD2 1 1 14 16236 1 1 23 LYS HD3 H -4.130 -0.522 -13.853 1.00 . A A . 23 LYS HD3 1 1 14 16237 1 1 23 LYS HE2 H -2.417 -2.127 -14.260 1.00 . A A . 23 LYS HE2 1 1 14 16238 1 1 23 LYS HE3 H -2.494 -2.761 -12.604 1.00 . A A . 23 LYS HE3 1 1 14 16239 1 1 23 LYS HG2 H -2.154 0.035 -12.534 1.00 . A A . 23 LYS HG2 1 1 14 16240 1 1 23 LYS HG3 H -2.737 -0.953 -11.182 1.00 . A A . 23 LYS HG3 1 1 14 16241 1 1 23 LYS HZ1 H -4.530 -3.743 -13.004 1.00 . A A . 23 LYS HZ1 1 1 14 16242 1 1 23 LYS HZ2 H -4.633 -3.201 -14.561 1.00 . A A . 23 LYS HZ2 1 1 14 16243 1 1 23 LYS HZ3 H -3.471 -4.298 -14.115 1.00 . A A . 23 LYS HZ3 1 1 14 16244 1 1 23 LYS N N -2.689 2.575 -12.633 1.00 . A A . 23 LYS N 1 1 14 16245 1 1 23 LYS NZ N -3.994 -3.484 -13.836 1.00 . A A . 23 LYS NZ 1 1 14 16246 1 1 23 LYS O O -6.068 3.237 -12.193 1.00 . A A . 23 LYS O 1 1 14 16247 1 1 24 LEU C C -5.208 6.067 -10.258 1.00 . A A . 24 LEU C 1 1 14 16248 1 1 24 LEU CA C -5.318 4.594 -9.859 1.00 . A A . 24 LEU CA 1 1 14 16249 1 1 24 LEU CB C -4.968 4.386 -8.379 1.00 . A A . 24 LEU CB 1 1 14 16250 1 1 24 LEU CD1 C -4.123 2.813 -6.616 1.00 . A A . 24 LEU CD1 1 1 14 16251 1 1 24 LEU CD2 C -6.163 2.185 -7.922 1.00 . A A . 24 LEU CD2 1 1 14 16252 1 1 24 LEU CG C -4.819 2.908 -7.971 1.00 . A A . 24 LEU CG 1 1 14 16253 1 1 24 LEU H H -3.508 3.616 -10.390 1.00 . A A . 24 LEU H 1 1 14 16254 1 1 24 LEU HA H -6.359 4.293 -9.984 1.00 . A A . 24 LEU HA 1 1 14 16255 1 1 24 LEU HB2 H -4.037 4.910 -8.165 1.00 . A A . 24 LEU HB2 1 1 14 16256 1 1 24 LEU HB3 H -5.754 4.843 -7.775 1.00 . A A . 24 LEU HB3 1 1 14 16257 1 1 24 LEU HD11 H -4.715 3.284 -5.843 1.00 . A A . 24 LEU HD11 1 1 14 16258 1 1 24 LEU HD12 H -3.963 1.766 -6.366 1.00 . A A . 24 LEU HD12 1 1 14 16259 1 1 24 LEU HD13 H -3.170 3.332 -6.663 1.00 . A A . 24 LEU HD13 1 1 14 16260 1 1 24 LEU HD21 H -5.992 1.162 -7.593 1.00 . A A . 24 LEU HD21 1 1 14 16261 1 1 24 LEU HD22 H -6.833 2.687 -7.225 1.00 . A A . 24 LEU HD22 1 1 14 16262 1 1 24 LEU HD23 H -6.612 2.168 -8.914 1.00 . A A . 24 LEU HD23 1 1 14 16263 1 1 24 LEU HG H -4.192 2.364 -8.672 1.00 . A A . 24 LEU HG 1 1 14 16264 1 1 24 LEU N N -4.464 3.768 -10.703 1.00 . A A . 24 LEU N 1 1 14 16265 1 1 24 LEU O O -6.225 6.706 -10.517 1.00 . A A . 24 LEU O 1 1 14 16266 1 1 25 GLY C C -2.436 8.434 -10.031 1.00 . A A . 25 GLY C 1 1 14 16267 1 1 25 GLY CA C -3.719 7.976 -10.708 1.00 . A A . 25 GLY CA 1 1 14 16268 1 1 25 GLY H H -3.149 6.030 -10.209 1.00 . A A . 25 GLY H 1 1 14 16269 1 1 25 GLY HA2 H -3.569 8.005 -11.787 1.00 . A A . 25 GLY HA2 1 1 14 16270 1 1 25 GLY HA3 H -4.539 8.640 -10.435 1.00 . A A . 25 GLY HA3 1 1 14 16271 1 1 25 GLY N N -3.985 6.606 -10.311 1.00 . A A . 25 GLY N 1 1 14 16272 1 1 25 GLY O O -1.367 8.421 -10.639 1.00 . A A . 25 GLY O 1 1 14 16273 1 1 26 CYS C C -1.995 9.665 -6.556 1.00 . A A . 26 CYS C 1 1 14 16274 1 1 26 CYS CA C -1.429 9.258 -7.913 1.00 . A A . 26 CYS CA 1 1 14 16275 1 1 26 CYS CB C -0.661 10.424 -8.518 1.00 . A A . 26 CYS CB 1 1 14 16276 1 1 26 CYS H H -3.493 8.791 -8.360 1.00 . A A . 26 CYS H 1 1 14 16277 1 1 26 CYS HA H -0.777 8.399 -7.769 1.00 . A A . 26 CYS HA 1 1 14 16278 1 1 26 CYS HB2 H -0.566 10.369 -9.597 1.00 . A A . 26 CYS HB2 1 1 14 16279 1 1 26 CYS HB3 H -1.171 11.363 -8.296 1.00 . A A . 26 CYS HB3 1 1 14 16280 1 1 26 CYS N N -2.547 8.826 -8.761 1.00 . A A . 26 CYS N 1 1 14 16281 1 1 26 CYS O O -1.580 9.170 -5.505 1.00 . A A . 26 CYS O 1 1 14 16282 1 1 26 CYS SG S 1.017 10.517 -7.838 1.00 . A A . 26 CYS SG 1 1 14 16283 1 1 27 ASP C C -4.271 9.851 -4.649 1.00 . A A . 27 ASP C 1 1 14 16284 1 1 27 ASP CA C -3.988 10.944 -5.669 1.00 . A A . 27 ASP CA 1 1 14 16285 1 1 27 ASP CB C -5.279 11.315 -6.417 1.00 . A A . 27 ASP CB 1 1 14 16286 1 1 27 ASP CG C -5.856 10.180 -7.276 1.00 . A A . 27 ASP CG 1 1 14 16287 1 1 27 ASP H H -3.375 10.569 -7.601 1.00 . A A . 27 ASP H 1 1 14 16288 1 1 27 ASP HA H -3.616 11.825 -5.147 1.00 . A A . 27 ASP HA 1 1 14 16289 1 1 27 ASP HB2 H -6.016 11.613 -5.670 1.00 . A A . 27 ASP HB2 1 1 14 16290 1 1 27 ASP HB3 H -5.084 12.174 -7.059 1.00 . A A . 27 ASP HB3 1 1 14 16291 1 1 27 ASP N N -3.013 10.519 -6.659 1.00 . A A . 27 ASP N 1 1 14 16292 1 1 27 ASP O O -4.289 10.109 -3.448 1.00 . A A . 27 ASP O 1 1 14 16293 1 1 27 ASP OD1 O -5.052 9.326 -7.735 1.00 . A A . 27 ASP OD1 1 1 14 16294 1 1 27 ASP OD2 O -7.091 10.182 -7.450 1.00 . A A . 27 ASP OD2 1 1 14 16295 1 1 28 ALA C C -3.774 7.388 -3.126 1.00 . A A . 28 ALA C 1 1 14 16296 1 1 28 ALA CA C -4.577 7.390 -4.428 1.00 . A A . 28 ALA CA 1 1 14 16297 1 1 28 ALA CB C -4.112 6.259 -5.342 1.00 . A A . 28 ALA CB 1 1 14 16298 1 1 28 ALA H H -4.523 8.605 -6.179 1.00 . A A . 28 ALA H 1 1 14 16299 1 1 28 ALA HA H -5.632 7.252 -4.202 1.00 . A A . 28 ALA HA 1 1 14 16300 1 1 28 ALA HB1 H -3.116 6.476 -5.729 1.00 . A A . 28 ALA HB1 1 1 14 16301 1 1 28 ALA HB2 H -4.077 5.321 -4.790 1.00 . A A . 28 ALA HB2 1 1 14 16302 1 1 28 ALA HB3 H -4.804 6.171 -6.177 1.00 . A A . 28 ALA HB3 1 1 14 16303 1 1 28 ALA N N -4.464 8.635 -5.161 1.00 . A A . 28 ALA N 1 1 14 16304 1 1 28 ALA O O -4.283 6.959 -2.092 1.00 . A A . 28 ALA O 1 1 14 16305 1 1 29 CYS C C -0.959 9.283 -1.892 1.00 . A A . 29 CYS C 1 1 14 16306 1 1 29 CYS CA C -1.605 7.900 -2.063 1.00 . A A . 29 CYS CA 1 1 14 16307 1 1 29 CYS CB C -0.553 6.836 -2.217 1.00 . A A . 29 CYS CB 1 1 14 16308 1 1 29 CYS H H -2.197 8.158 -4.106 1.00 . A A . 29 CYS H 1 1 14 16309 1 1 29 CYS HA H -2.149 7.692 -1.140 1.00 . A A . 29 CYS HA 1 1 14 16310 1 1 29 CYS HB2 H 0.091 7.139 -3.041 1.00 . A A . 29 CYS HB2 1 1 14 16311 1 1 29 CYS HB3 H 0.043 6.772 -1.307 1.00 . A A . 29 CYS HB3 1 1 14 16312 1 1 29 CYS N N -2.519 7.843 -3.198 1.00 . A A . 29 CYS N 1 1 14 16313 1 1 29 CYS O O -0.637 9.656 -0.767 1.00 . A A . 29 CYS O 1 1 14 16314 1 1 29 CYS SG S -1.311 5.210 -2.559 1.00 . A A . 29 CYS SG 1 1 14 16315 1 1 30 HIS C C -0.913 12.336 -3.757 1.00 . A A . 30 HIS C 1 1 14 16316 1 1 30 HIS CA C -0.096 11.345 -2.940 1.00 . A A . 30 HIS CA 1 1 14 16317 1 1 30 HIS CB C 1.297 11.294 -3.562 1.00 . A A . 30 HIS CB 1 1 14 16318 1 1 30 HIS CD2 C 2.495 9.112 -3.761 1.00 . A A . 30 HIS CD2 1 1 14 16319 1 1 30 HIS CE1 C 4.095 9.390 -2.311 1.00 . A A . 30 HIS CE1 1 1 14 16320 1 1 30 HIS CG C 2.197 10.221 -3.036 1.00 . A A . 30 HIS CG 1 1 14 16321 1 1 30 HIS H H -1.041 9.723 -3.890 1.00 . A A . 30 HIS H 1 1 14 16322 1 1 30 HIS HA H 0.000 11.700 -1.913 1.00 . A A . 30 HIS HA 1 1 14 16323 1 1 30 HIS HB2 H 1.185 11.128 -4.637 1.00 . A A . 30 HIS HB2 1 1 14 16324 1 1 30 HIS HB3 H 1.764 12.269 -3.440 1.00 . A A . 30 HIS HB3 1 1 14 16325 1 1 30 HIS HD1 H 3.294 11.184 -1.496 1.00 . A A . 30 HIS HD1 1 1 14 16326 1 1 30 HIS HD2 H 1.985 8.781 -4.641 1.00 . A A . 30 HIS HD2 1 1 14 16327 1 1 30 HIS HE1 H 5.048 9.271 -1.821 1.00 . A A . 30 HIS HE1 1 1 14 16328 1 1 30 HIS N N -0.733 10.036 -2.978 1.00 . A A . 30 HIS N 1 1 14 16329 1 1 30 HIS ND1 N 3.198 10.384 -2.110 1.00 . A A . 30 HIS ND1 1 1 14 16330 1 1 30 HIS NE2 N 3.704 8.600 -3.321 1.00 . A A . 30 HIS NE2 1 1 14 16331 1 1 30 HIS O O -1.034 12.186 -4.969 1.00 . A A . 30 HIS O 1 1 14 16332 1 1 31 GLU C C -1.284 15.511 -4.345 1.00 . A A . 31 GLU C 1 1 14 16333 1 1 31 GLU CA C -2.190 14.426 -3.769 1.00 . A A . 31 GLU CA 1 1 14 16334 1 1 31 GLU CB C -3.252 15.027 -2.833 1.00 . A A . 31 GLU CB 1 1 14 16335 1 1 31 GLU CD C -4.489 14.878 -0.619 1.00 . A A . 31 GLU CD 1 1 14 16336 1 1 31 GLU CG C -3.371 14.307 -1.486 1.00 . A A . 31 GLU CG 1 1 14 16337 1 1 31 GLU H H -1.166 13.456 -2.125 1.00 . A A . 31 GLU H 1 1 14 16338 1 1 31 GLU HA H -2.731 13.977 -4.603 1.00 . A A . 31 GLU HA 1 1 14 16339 1 1 31 GLU HB2 H -3.054 16.083 -2.646 1.00 . A A . 31 GLU HB2 1 1 14 16340 1 1 31 GLU HB3 H -4.219 14.962 -3.339 1.00 . A A . 31 GLU HB3 1 1 14 16341 1 1 31 GLU HG2 H -3.568 13.253 -1.676 1.00 . A A . 31 GLU HG2 1 1 14 16342 1 1 31 GLU HG3 H -2.444 14.417 -0.926 1.00 . A A . 31 GLU HG3 1 1 14 16343 1 1 31 GLU N N -1.394 13.389 -3.107 1.00 . A A . 31 GLU N 1 1 14 16344 1 1 31 GLU O O -1.543 16.058 -5.415 1.00 . A A . 31 GLU O 1 1 14 16345 1 1 31 GLU OE1 O -5.352 15.589 -1.179 1.00 . A A . 31 GLU OE1 1 1 14 16346 1 1 31 GLU OE2 O -4.444 14.609 0.600 1.00 . A A . 31 GLU OE2 1 1 14 16347 1 1 32 GLY C C 2.005 16.522 -3.140 1.00 . A A . 32 GLY C 1 1 14 16348 1 1 32 GLY CA C 0.773 16.812 -3.984 1.00 . A A . 32 GLY CA 1 1 14 16349 1 1 32 GLY H H -0.012 15.342 -2.759 1.00 . A A . 32 GLY H 1 1 14 16350 1 1 32 GLY HA2 H 1.011 16.731 -5.046 1.00 . A A . 32 GLY HA2 1 1 14 16351 1 1 32 GLY HA3 H 0.401 17.812 -3.762 1.00 . A A . 32 GLY HA3 1 1 14 16352 1 1 32 GLY N N -0.214 15.830 -3.619 1.00 . A A . 32 GLY N 1 1 14 16353 1 1 32 GLY O O 1.899 15.893 -2.090 1.00 . A A . 32 GLY O 1 1 14 16354 1 1 33 THR C C 4.691 15.447 -2.411 1.00 . A A . 33 THR C 1 1 14 16355 1 1 33 THR CA C 4.469 16.854 -2.990 1.00 . A A . 33 THR CA 1 1 14 16356 1 1 33 THR CB C 4.618 17.957 -1.927 1.00 . A A . 33 THR CB 1 1 14 16357 1 1 33 THR CG2 C 6.077 18.128 -1.486 1.00 . A A . 33 THR CG2 1 1 14 16358 1 1 33 THR H H 3.090 17.430 -4.516 1.00 . A A . 33 THR H 1 1 14 16359 1 1 33 THR HA H 5.223 17.051 -3.750 1.00 . A A . 33 THR HA 1 1 14 16360 1 1 33 THR HB H 4.002 17.726 -1.054 1.00 . A A . 33 THR HB 1 1 14 16361 1 1 33 THR HG1 H 3.239 19.158 -2.587 1.00 . A A . 33 THR HG1 1 1 14 16362 1 1 33 THR HG21 H 6.449 17.212 -1.027 1.00 . A A . 33 THR HG21 1 1 14 16363 1 1 33 THR HG22 H 6.700 18.381 -2.344 1.00 . A A . 33 THR HG22 1 1 14 16364 1 1 33 THR HG23 H 6.139 18.935 -0.755 1.00 . A A . 33 THR HG23 1 1 14 16365 1 1 33 THR N N 3.159 16.966 -3.629 1.00 . A A . 33 THR N 1 1 14 16366 1 1 33 THR O O 4.679 15.285 -1.192 1.00 . A A . 33 THR O 1 1 14 16367 1 1 33 THR OG1 O 4.191 19.191 -2.472 1.00 . A A . 33 THR OG1 1 1 14 16368 1 1 34 PRO C C 5.776 12.720 -1.676 1.00 . A A . 34 PRO C 1 1 14 16369 1 1 34 PRO CA C 4.828 13.033 -2.826 1.00 . A A . 34 PRO CA 1 1 14 16370 1 1 34 PRO CB C 5.121 12.160 -4.039 1.00 . A A . 34 PRO CB 1 1 14 16371 1 1 34 PRO CD C 5.023 14.480 -4.700 1.00 . A A . 34 PRO CD 1 1 14 16372 1 1 34 PRO CG C 5.650 13.138 -5.083 1.00 . A A . 34 PRO CG 1 1 14 16373 1 1 34 PRO HA H 3.810 12.837 -2.517 1.00 . A A . 34 PRO HA 1 1 14 16374 1 1 34 PRO HB2 H 5.842 11.385 -3.770 1.00 . A A . 34 PRO HB2 1 1 14 16375 1 1 34 PRO HB3 H 4.203 11.701 -4.405 1.00 . A A . 34 PRO HB3 1 1 14 16376 1 1 34 PRO HD2 H 5.669 15.291 -5.032 1.00 . A A . 34 PRO HD2 1 1 14 16377 1 1 34 PRO HD3 H 4.037 14.572 -5.157 1.00 . A A . 34 PRO HD3 1 1 14 16378 1 1 34 PRO HG2 H 6.729 13.206 -4.971 1.00 . A A . 34 PRO HG2 1 1 14 16379 1 1 34 PRO HG3 H 5.378 12.826 -6.090 1.00 . A A . 34 PRO HG3 1 1 14 16380 1 1 34 PRO N N 4.878 14.418 -3.257 1.00 . A A . 34 PRO N 1 1 14 16381 1 1 34 PRO O O 5.334 12.149 -0.682 1.00 . A A . 34 PRO O 1 1 14 16382 1 1 35 ALA C C 8.587 11.659 -0.412 1.00 . A A . 35 ALA C 1 1 14 16383 1 1 35 ALA CA C 8.128 13.056 -0.850 1.00 . A A . 35 ALA CA 1 1 14 16384 1 1 35 ALA CB C 7.749 13.927 0.353 1.00 . A A . 35 ALA CB 1 1 14 16385 1 1 35 ALA H H 7.294 13.475 -2.740 1.00 . A A . 35 ALA H 1 1 14 16386 1 1 35 ALA HA H 8.989 13.534 -1.322 1.00 . A A . 35 ALA HA 1 1 14 16387 1 1 35 ALA HB1 H 6.918 13.488 0.905 1.00 . A A . 35 ALA HB1 1 1 14 16388 1 1 35 ALA HB2 H 8.607 14.014 1.019 1.00 . A A . 35 ALA HB2 1 1 14 16389 1 1 35 ALA HB3 H 7.464 14.923 0.011 1.00 . A A . 35 ALA HB3 1 1 14 16390 1 1 35 ALA N N 7.060 13.064 -1.849 1.00 . A A . 35 ALA N 1 1 14 16391 1 1 35 ALA O O 9.780 11.372 -0.460 1.00 . A A . 35 ALA O 1 1 14 16392 1 1 36 LYS C C 6.679 9.599 1.872 1.00 . A A . 36 LYS C 1 1 14 16393 1 1 36 LYS CA C 7.689 9.557 0.722 1.00 . A A . 36 LYS CA 1 1 14 16394 1 1 36 LYS CB C 9.084 9.099 1.180 1.00 . A A . 36 LYS CB 1 1 14 16395 1 1 36 LYS CD C 10.555 9.006 3.215 1.00 . A A . 36 LYS CD 1 1 14 16396 1 1 36 LYS CE C 9.687 8.032 4.041 1.00 . A A . 36 LYS CE 1 1 14 16397 1 1 36 LYS CG C 9.683 9.916 2.337 1.00 . A A . 36 LYS CG 1 1 14 16398 1 1 36 LYS H H 6.698 11.187 -0.056 1.00 . A A . 36 LYS H 1 1 14 16399 1 1 36 LYS HA H 7.310 8.847 -0.002 1.00 . A A . 36 LYS HA 1 1 14 16400 1 1 36 LYS HB2 H 8.984 8.070 1.509 1.00 . A A . 36 LYS HB2 1 1 14 16401 1 1 36 LYS HB3 H 9.779 9.071 0.341 1.00 . A A . 36 LYS HB3 1 1 14 16402 1 1 36 LYS HD2 H 11.243 8.468 2.558 1.00 . A A . 36 LYS HD2 1 1 14 16403 1 1 36 LYS HD3 H 11.147 9.624 3.893 1.00 . A A . 36 LYS HD3 1 1 14 16404 1 1 36 LYS HE2 H 9.619 8.385 5.070 1.00 . A A . 36 LYS HE2 1 1 14 16405 1 1 36 LYS HE3 H 8.669 8.006 3.652 1.00 . A A . 36 LYS HE3 1 1 14 16406 1 1 36 LYS HG2 H 10.290 10.712 1.908 1.00 . A A . 36 LYS HG2 1 1 14 16407 1 1 36 LYS HG3 H 8.915 10.387 2.951 1.00 . A A . 36 LYS HG3 1 1 14 16408 1 1 36 LYS HZ1 H 10.542 6.421 3.060 1.00 . A A . 36 LYS HZ1 1 1 14 16409 1 1 36 LYS HZ2 H 10.919 6.447 4.669 1.00 . A A . 36 LYS HZ2 1 1 14 16410 1 1 36 LYS HZ3 H 9.443 5.953 4.052 1.00 . A A . 36 LYS HZ3 1 1 14 16411 1 1 36 LYS N N 7.637 10.838 0.038 1.00 . A A . 36 LYS N 1 1 14 16412 1 1 36 LYS NZ N 10.198 6.644 3.996 1.00 . A A . 36 LYS NZ 1 1 14 16413 1 1 36 LYS O O 6.432 10.662 2.435 1.00 . A A . 36 LYS O 1 1 14 16414 1 1 37 ILE C C 5.303 7.644 4.393 1.00 . A A . 37 ILE C 1 1 14 16415 1 1 37 ILE CA C 4.936 8.366 3.101 1.00 . A A . 37 ILE CA 1 1 14 16416 1 1 37 ILE CB C 3.758 7.663 2.400 1.00 . A A . 37 ILE CB 1 1 14 16417 1 1 37 ILE CD1 C 2.435 7.476 0.212 1.00 . A A . 37 ILE CD1 1 1 14 16418 1 1 37 ILE CG1 C 3.677 8.038 0.913 1.00 . A A . 37 ILE CG1 1 1 14 16419 1 1 37 ILE CG2 C 2.450 7.999 3.132 1.00 . A A . 37 ILE CG2 1 1 14 16420 1 1 37 ILE H H 6.331 7.624 1.679 1.00 . A A . 37 ILE H 1 1 14 16421 1 1 37 ILE HA H 4.616 9.365 3.376 1.00 . A A . 37 ILE HA 1 1 14 16422 1 1 37 ILE HB H 3.926 6.589 2.448 1.00 . A A . 37 ILE HB 1 1 14 16423 1 1 37 ILE HD11 H 2.329 6.414 0.429 1.00 . A A . 37 ILE HD11 1 1 14 16424 1 1 37 ILE HD12 H 1.542 8.009 0.536 1.00 . A A . 37 ILE HD12 1 1 14 16425 1 1 37 ILE HD13 H 2.534 7.607 -0.864 1.00 . A A . 37 ILE HD13 1 1 14 16426 1 1 37 ILE HG12 H 3.694 9.122 0.802 1.00 . A A . 37 ILE HG12 1 1 14 16427 1 1 37 ILE HG13 H 4.555 7.613 0.425 1.00 . A A . 37 ILE HG13 1 1 14 16428 1 1 37 ILE HG21 H 2.222 9.059 3.020 1.00 . A A . 37 ILE HG21 1 1 14 16429 1 1 37 ILE HG22 H 1.627 7.414 2.727 1.00 . A A . 37 ILE HG22 1 1 14 16430 1 1 37 ILE HG23 H 2.538 7.766 4.194 1.00 . A A . 37 ILE HG23 1 1 14 16431 1 1 37 ILE N N 6.084 8.449 2.199 1.00 . A A . 37 ILE N 1 1 14 16432 1 1 37 ILE O O 4.856 8.022 5.470 1.00 . A A . 37 ILE O 1 1 14 16433 1 1 38 ALA C C 5.152 4.889 5.733 1.00 . A A . 38 ALA C 1 1 14 16434 1 1 38 ALA CA C 6.419 5.626 5.304 1.00 . A A . 38 ALA CA 1 1 14 16435 1 1 38 ALA CB C 7.158 6.290 6.468 1.00 . A A . 38 ALA CB 1 1 14 16436 1 1 38 ALA H H 6.415 6.395 3.319 1.00 . A A . 38 ALA H 1 1 14 16437 1 1 38 ALA HA H 7.099 4.879 4.898 1.00 . A A . 38 ALA HA 1 1 14 16438 1 1 38 ALA HB1 H 8.017 6.827 6.073 1.00 . A A . 38 ALA HB1 1 1 14 16439 1 1 38 ALA HB2 H 6.514 6.983 7.004 1.00 . A A . 38 ALA HB2 1 1 14 16440 1 1 38 ALA HB3 H 7.501 5.520 7.162 1.00 . A A . 38 ALA HB3 1 1 14 16441 1 1 38 ALA N N 6.108 6.590 4.256 1.00 . A A . 38 ALA N 1 1 14 16442 1 1 38 ALA O O 4.648 5.073 6.840 1.00 . A A . 38 ALA O 1 1 14 16443 1 1 39 ILE C C 4.010 1.992 5.966 1.00 . A A . 39 ILE C 1 1 14 16444 1 1 39 ILE CA C 3.500 3.192 5.185 1.00 . A A . 39 ILE CA 1 1 14 16445 1 1 39 ILE CB C 2.642 2.864 3.966 1.00 . A A . 39 ILE CB 1 1 14 16446 1 1 39 ILE CD1 C 1.152 4.946 4.402 1.00 . A A . 39 ILE CD1 1 1 14 16447 1 1 39 ILE CG1 C 2.025 4.156 3.419 1.00 . A A . 39 ILE CG1 1 1 14 16448 1 1 39 ILE CG2 C 1.523 1.883 4.339 1.00 . A A . 39 ILE CG2 1 1 14 16449 1 1 39 ILE H H 5.151 3.832 3.994 1.00 . A A . 39 ILE H 1 1 14 16450 1 1 39 ILE HA H 2.844 3.732 5.866 1.00 . A A . 39 ILE HA 1 1 14 16451 1 1 39 ILE HB H 3.257 2.413 3.186 1.00 . A A . 39 ILE HB 1 1 14 16452 1 1 39 ILE HD11 H 0.536 5.653 3.846 1.00 . A A . 39 ILE HD11 1 1 14 16453 1 1 39 ILE HD12 H 0.496 4.279 4.956 1.00 . A A . 39 ILE HD12 1 1 14 16454 1 1 39 ILE HD13 H 1.772 5.507 5.101 1.00 . A A . 39 ILE HD13 1 1 14 16455 1 1 39 ILE HG12 H 2.809 4.809 3.049 1.00 . A A . 39 ILE HG12 1 1 14 16456 1 1 39 ILE HG13 H 1.410 3.860 2.585 1.00 . A A . 39 ILE HG13 1 1 14 16457 1 1 39 ILE HG21 H 1.165 2.087 5.346 1.00 . A A . 39 ILE HG21 1 1 14 16458 1 1 39 ILE HG22 H 0.684 1.976 3.654 1.00 . A A . 39 ILE HG22 1 1 14 16459 1 1 39 ILE HG23 H 1.902 0.863 4.286 1.00 . A A . 39 ILE HG23 1 1 14 16460 1 1 39 ILE N N 4.634 4.035 4.845 1.00 . A A . 39 ILE N 1 1 14 16461 1 1 39 ILE O O 4.189 0.888 5.456 1.00 . A A . 39 ILE O 1 1 14 16462 1 1 40 ASP C C 3.231 0.687 8.726 1.00 . A A . 40 ASP C 1 1 14 16463 1 1 40 ASP CA C 4.535 1.294 8.265 1.00 . A A . 40 ASP CA 1 1 14 16464 1 1 40 ASP CB C 5.192 1.940 9.499 1.00 . A A . 40 ASP CB 1 1 14 16465 1 1 40 ASP CG C 6.675 1.644 9.658 1.00 . A A . 40 ASP CG 1 1 14 16466 1 1 40 ASP H H 3.874 3.189 7.508 1.00 . A A . 40 ASP H 1 1 14 16467 1 1 40 ASP HA H 5.187 0.522 7.852 1.00 . A A . 40 ASP HA 1 1 14 16468 1 1 40 ASP HB2 H 5.030 2.998 9.455 1.00 . A A . 40 ASP HB2 1 1 14 16469 1 1 40 ASP HB3 H 4.718 1.614 10.420 1.00 . A A . 40 ASP HB3 1 1 14 16470 1 1 40 ASP N N 4.207 2.271 7.246 1.00 . A A . 40 ASP N 1 1 14 16471 1 1 40 ASP O O 2.151 1.235 8.508 1.00 . A A . 40 ASP O 1 1 14 16472 1 1 40 ASP OD1 O 7.451 2.120 8.805 1.00 . A A . 40 ASP OD1 1 1 14 16473 1 1 40 ASP OD2 O 7.002 0.970 10.664 1.00 . A A . 40 ASP OD2 1 1 14 16474 1 1 41 LYS C C 1.366 -0.108 10.827 1.00 . A A . 41 LYS C 1 1 14 16475 1 1 41 LYS CA C 2.427 -1.087 10.299 1.00 . A A . 41 LYS CA 1 1 14 16476 1 1 41 LYS CB C 3.201 -1.879 11.368 1.00 . A A . 41 LYS CB 1 1 14 16477 1 1 41 LYS CD C 5.173 -1.799 13.026 1.00 . A A . 41 LYS CD 1 1 14 16478 1 1 41 LYS CE C 6.371 -2.385 12.250 1.00 . A A . 41 LYS CE 1 1 14 16479 1 1 41 LYS CG C 4.136 -1.005 12.224 1.00 . A A . 41 LYS CG 1 1 14 16480 1 1 41 LYS H H 4.378 -0.646 9.570 1.00 . A A . 41 LYS H 1 1 14 16481 1 1 41 LYS HA H 1.944 -1.840 9.690 1.00 . A A . 41 LYS HA 1 1 14 16482 1 1 41 LYS HB2 H 2.493 -2.399 12.007 1.00 . A A . 41 LYS HB2 1 1 14 16483 1 1 41 LYS HB3 H 3.792 -2.643 10.854 1.00 . A A . 41 LYS HB3 1 1 14 16484 1 1 41 LYS HD2 H 5.558 -1.106 13.765 1.00 . A A . 41 LYS HD2 1 1 14 16485 1 1 41 LYS HD3 H 4.663 -2.609 13.550 1.00 . A A . 41 LYS HD3 1 1 14 16486 1 1 41 LYS HE2 H 7.100 -2.798 12.949 1.00 . A A . 41 LYS HE2 1 1 14 16487 1 1 41 LYS HE3 H 6.018 -3.196 11.621 1.00 . A A . 41 LYS HE3 1 1 14 16488 1 1 41 LYS HG2 H 4.672 -0.272 11.628 1.00 . A A . 41 LYS HG2 1 1 14 16489 1 1 41 LYS HG3 H 3.516 -0.470 12.944 1.00 . A A . 41 LYS HG3 1 1 14 16490 1 1 41 LYS HZ1 H 6.371 -1.141 10.635 1.00 . A A . 41 LYS HZ1 1 1 14 16491 1 1 41 LYS HZ2 H 7.430 -0.564 11.656 1.00 . A A . 41 LYS HZ2 1 1 14 16492 1 1 41 LYS HZ3 H 7.675 -1.954 10.697 1.00 . A A . 41 LYS HZ3 1 1 14 16493 1 1 41 LYS N N 3.396 -0.380 9.490 1.00 . A A . 41 LYS N 1 1 14 16494 1 1 41 LYS NZ N 7.049 -1.450 11.330 1.00 . A A . 41 LYS NZ 1 1 14 16495 1 1 41 LYS O O 0.168 -0.282 10.613 1.00 . A A . 41 LYS O 1 1 14 16496 1 1 42 LYS C C -0.061 2.609 11.146 1.00 . A A . 42 LYS C 1 1 14 16497 1 1 42 LYS CA C 1.039 2.043 12.029 1.00 . A A . 42 LYS CA 1 1 14 16498 1 1 42 LYS CB C 1.966 3.199 12.424 1.00 . A A . 42 LYS CB 1 1 14 16499 1 1 42 LYS CD C 1.854 3.713 14.928 1.00 . A A . 42 LYS CD 1 1 14 16500 1 1 42 LYS CE C 0.374 3.350 15.161 1.00 . A A . 42 LYS CE 1 1 14 16501 1 1 42 LYS CG C 2.576 2.954 13.799 1.00 . A A . 42 LYS CG 1 1 14 16502 1 1 42 LYS H H 2.840 1.062 11.488 1.00 . A A . 42 LYS H 1 1 14 16503 1 1 42 LYS HA H 0.535 1.608 12.889 1.00 . A A . 42 LYS HA 1 1 14 16504 1 1 42 LYS HB2 H 2.763 3.277 11.682 1.00 . A A . 42 LYS HB2 1 1 14 16505 1 1 42 LYS HB3 H 1.443 4.156 12.426 1.00 . A A . 42 LYS HB3 1 1 14 16506 1 1 42 LYS HD2 H 2.395 3.476 15.847 1.00 . A A . 42 LYS HD2 1 1 14 16507 1 1 42 LYS HD3 H 1.962 4.789 14.768 1.00 . A A . 42 LYS HD3 1 1 14 16508 1 1 42 LYS HE2 H 0.246 2.266 15.159 1.00 . A A . 42 LYS HE2 1 1 14 16509 1 1 42 LYS HE3 H 0.111 3.711 16.158 1.00 . A A . 42 LYS HE3 1 1 14 16510 1 1 42 LYS HG2 H 2.604 1.882 13.995 1.00 . A A . 42 LYS HG2 1 1 14 16511 1 1 42 LYS HG3 H 3.606 3.310 13.755 1.00 . A A . 42 LYS HG3 1 1 14 16512 1 1 42 LYS HZ1 H -0.375 4.973 14.120 1.00 . A A . 42 LYS HZ1 1 1 14 16513 1 1 42 LYS HZ2 H -0.538 3.567 13.282 1.00 . A A . 42 LYS HZ2 1 1 14 16514 1 1 42 LYS HZ3 H -1.513 3.870 14.543 1.00 . A A . 42 LYS HZ3 1 1 14 16515 1 1 42 LYS N N 1.837 0.976 11.445 1.00 . A A . 42 LYS N 1 1 14 16516 1 1 42 LYS NZ N -0.569 3.986 14.208 1.00 . A A . 42 LYS NZ 1 1 14 16517 1 1 42 LYS O O -1.080 3.025 11.702 1.00 . A A . 42 LYS O 1 1 14 16518 1 1 43 SER C C -1.293 2.193 8.000 1.00 . A A . 43 SER C 1 1 14 16519 1 1 43 SER CA C -0.714 3.307 8.870 1.00 . A A . 43 SER CA 1 1 14 16520 1 1 43 SER CB C 0.054 4.333 8.039 1.00 . A A . 43 SER CB 1 1 14 16521 1 1 43 SER H H 1.105 2.423 9.527 1.00 . A A . 43 SER H 1 1 14 16522 1 1 43 SER HA H -1.529 3.834 9.361 1.00 . A A . 43 SER HA 1 1 14 16523 1 1 43 SER HB2 H 0.887 3.858 7.519 1.00 . A A . 43 SER HB2 1 1 14 16524 1 1 43 SER HB3 H -0.624 4.763 7.305 1.00 . A A . 43 SER HB3 1 1 14 16525 1 1 43 SER HG H -0.187 5.881 9.191 1.00 . A A . 43 SER HG 1 1 14 16526 1 1 43 SER N N 0.195 2.732 9.849 1.00 . A A . 43 SER N 1 1 14 16527 1 1 43 SER O O -2.506 2.081 7.820 1.00 . A A . 43 SER O 1 1 14 16528 1 1 43 SER OG O 0.553 5.345 8.891 1.00 . A A . 43 SER OG 1 1 14 16529 1 1 44 ALA C C -1.818 -0.644 7.225 1.00 . A A . 44 ALA C 1 1 14 16530 1 1 44 ALA CA C -0.661 0.178 6.671 1.00 . A A . 44 ALA CA 1 1 14 16531 1 1 44 ALA CB C 0.614 -0.664 6.636 1.00 . A A . 44 ALA CB 1 1 14 16532 1 1 44 ALA H H 0.569 1.502 7.735 1.00 . A A . 44 ALA H 1 1 14 16533 1 1 44 ALA HA H -0.896 0.492 5.655 1.00 . A A . 44 ALA HA 1 1 14 16534 1 1 44 ALA HB1 H 1.464 -0.045 6.348 1.00 . A A . 44 ALA HB1 1 1 14 16535 1 1 44 ALA HB2 H 0.819 -1.078 7.623 1.00 . A A . 44 ALA HB2 1 1 14 16536 1 1 44 ALA HB3 H 0.481 -1.479 5.926 1.00 . A A . 44 ALA HB3 1 1 14 16537 1 1 44 ALA N N -0.399 1.350 7.485 1.00 . A A . 44 ALA N 1 1 14 16538 1 1 44 ALA O O -2.771 -0.946 6.503 1.00 . A A . 44 ALA O 1 1 14 16539 1 1 45 HIS C C -3.780 -1.002 9.884 1.00 . A A . 45 HIS C 1 1 14 16540 1 1 45 HIS CA C -2.704 -1.835 9.181 1.00 . A A . 45 HIS CA 1 1 14 16541 1 1 45 HIS CB C -1.965 -2.777 10.143 1.00 . A A . 45 HIS CB 1 1 14 16542 1 1 45 HIS CD2 C -0.459 -4.338 8.719 1.00 . A A . 45 HIS CD2 1 1 14 16543 1 1 45 HIS CE1 C -1.565 -6.199 9.042 1.00 . A A . 45 HIS CE1 1 1 14 16544 1 1 45 HIS CG C -1.560 -4.072 9.499 1.00 . A A . 45 HIS CG 1 1 14 16545 1 1 45 HIS H H -0.959 -0.636 9.085 1.00 . A A . 45 HIS H 1 1 14 16546 1 1 45 HIS HA H -3.230 -2.453 8.454 1.00 . A A . 45 HIS HA 1 1 14 16547 1 1 45 HIS HB2 H -1.088 -2.306 10.577 1.00 . A A . 45 HIS HB2 1 1 14 16548 1 1 45 HIS HB3 H -2.618 -3.045 10.972 1.00 . A A . 45 HIS HB3 1 1 14 16549 1 1 45 HIS HD1 H -3.066 -5.372 10.253 1.00 . A A . 45 HIS HD1 1 1 14 16550 1 1 45 HIS HD2 H 0.301 -3.637 8.415 1.00 . A A . 45 HIS HD2 1 1 14 16551 1 1 45 HIS HE1 H -1.865 -7.229 9.069 1.00 . A A . 45 HIS HE1 1 1 14 16552 1 1 45 HIS N N -1.728 -0.990 8.513 1.00 . A A . 45 HIS N 1 1 14 16553 1 1 45 HIS ND1 N -2.241 -5.245 9.686 1.00 . A A . 45 HIS ND1 1 1 14 16554 1 1 45 HIS NE2 N -0.471 -5.709 8.431 1.00 . A A . 45 HIS NE2 1 1 14 16555 1 1 45 HIS O O -4.489 -1.523 10.743 1.00 . A A . 45 HIS O 1 1 14 16556 1 1 46 LYS C C -5.718 1.874 9.119 1.00 . A A . 46 LYS C 1 1 14 16557 1 1 46 LYS CA C -4.848 1.190 10.174 1.00 . A A . 46 LYS CA 1 1 14 16558 1 1 46 LYS CB C -4.031 2.140 11.063 1.00 . A A . 46 LYS CB 1 1 14 16559 1 1 46 LYS CD C -5.467 4.220 11.212 1.00 . A A . 46 LYS CD 1 1 14 16560 1 1 46 LYS CE C -5.857 5.430 12.070 1.00 . A A . 46 LYS CE 1 1 14 16561 1 1 46 LYS CG C -4.848 3.056 11.986 1.00 . A A . 46 LYS CG 1 1 14 16562 1 1 46 LYS H H -3.335 0.658 8.788 1.00 . A A . 46 LYS H 1 1 14 16563 1 1 46 LYS HA H -5.525 0.641 10.829 1.00 . A A . 46 LYS HA 1 1 14 16564 1 1 46 LYS HB2 H -3.414 1.515 11.710 1.00 . A A . 46 LYS HB2 1 1 14 16565 1 1 46 LYS HB3 H -3.360 2.735 10.446 1.00 . A A . 46 LYS HB3 1 1 14 16566 1 1 46 LYS HD2 H -4.702 4.548 10.512 1.00 . A A . 46 LYS HD2 1 1 14 16567 1 1 46 LYS HD3 H -6.345 3.868 10.671 1.00 . A A . 46 LYS HD3 1 1 14 16568 1 1 46 LYS HE2 H -6.661 5.153 12.754 1.00 . A A . 46 LYS HE2 1 1 14 16569 1 1 46 LYS HE3 H -4.990 5.750 12.650 1.00 . A A . 46 LYS HE3 1 1 14 16570 1 1 46 LYS HG2 H -5.616 2.483 12.505 1.00 . A A . 46 LYS HG2 1 1 14 16571 1 1 46 LYS HG3 H -4.147 3.462 12.715 1.00 . A A . 46 LYS HG3 1 1 14 16572 1 1 46 LYS HZ1 H -6.453 7.393 11.759 1.00 . A A . 46 LYS HZ1 1 1 14 16573 1 1 46 LYS HZ2 H -5.563 6.764 10.521 1.00 . A A . 46 LYS HZ2 1 1 14 16574 1 1 46 LYS HZ3 H -7.118 6.322 10.697 1.00 . A A . 46 LYS HZ3 1 1 14 16575 1 1 46 LYS N N -3.922 0.277 9.523 1.00 . A A . 46 LYS N 1 1 14 16576 1 1 46 LYS NZ N -6.285 6.560 11.216 1.00 . A A . 46 LYS NZ 1 1 14 16577 1 1 46 LYS O O -6.914 1.599 9.058 1.00 . A A . 46 LYS O 1 1 14 16578 1 1 47 ASP C C -5.354 3.633 5.960 1.00 . A A . 47 ASP C 1 1 14 16579 1 1 47 ASP CA C -5.882 3.635 7.389 1.00 . A A . 47 ASP CA 1 1 14 16580 1 1 47 ASP CB C -5.999 5.074 7.913 1.00 . A A . 47 ASP CB 1 1 14 16581 1 1 47 ASP CG C -4.671 5.707 8.303 1.00 . A A . 47 ASP CG 1 1 14 16582 1 1 47 ASP H H -4.146 2.952 8.413 1.00 . A A . 47 ASP H 1 1 14 16583 1 1 47 ASP HA H -6.885 3.241 7.282 1.00 . A A . 47 ASP HA 1 1 14 16584 1 1 47 ASP HB2 H -6.452 5.695 7.139 1.00 . A A . 47 ASP HB2 1 1 14 16585 1 1 47 ASP HB3 H -6.672 5.077 8.766 1.00 . A A . 47 ASP HB3 1 1 14 16586 1 1 47 ASP N N -5.144 2.780 8.320 1.00 . A A . 47 ASP N 1 1 14 16587 1 1 47 ASP O O -6.096 4.017 5.060 1.00 . A A . 47 ASP O 1 1 14 16588 1 1 47 ASP OD1 O -3.613 5.155 7.931 1.00 . A A . 47 ASP OD1 1 1 14 16589 1 1 47 ASP OD2 O -4.754 6.671 9.099 1.00 . A A . 47 ASP OD2 1 1 14 16590 1 1 48 ALA C C -4.091 1.943 3.608 1.00 . A A . 48 ALA C 1 1 14 16591 1 1 48 ALA CA C -3.600 3.185 4.359 1.00 . A A . 48 ALA CA 1 1 14 16592 1 1 48 ALA CB C -2.079 3.350 4.390 1.00 . A A . 48 ALA CB 1 1 14 16593 1 1 48 ALA H H -3.529 2.929 6.495 1.00 . A A . 48 ALA H 1 1 14 16594 1 1 48 ALA HA H -3.980 4.054 3.816 1.00 . A A . 48 ALA HA 1 1 14 16595 1 1 48 ALA HB1 H -1.674 3.298 3.379 1.00 . A A . 48 ALA HB1 1 1 14 16596 1 1 48 ALA HB2 H -1.849 4.330 4.811 1.00 . A A . 48 ALA HB2 1 1 14 16597 1 1 48 ALA HB3 H -1.614 2.589 5.012 1.00 . A A . 48 ALA HB3 1 1 14 16598 1 1 48 ALA N N -4.122 3.195 5.715 1.00 . A A . 48 ALA N 1 1 14 16599 1 1 48 ALA O O -5.225 1.896 3.128 1.00 . A A . 48 ALA O 1 1 14 16600 1 1 49 CYS C C -4.737 -0.848 2.715 1.00 . A A . 49 CYS C 1 1 14 16601 1 1 49 CYS CA C -3.383 -0.154 2.530 1.00 . A A . 49 CYS CA 1 1 14 16602 1 1 49 CYS CB C -2.247 -1.148 2.650 1.00 . A A . 49 CYS CB 1 1 14 16603 1 1 49 CYS H H -2.384 0.982 4.039 1.00 . A A . 49 CYS H 1 1 14 16604 1 1 49 CYS HA H -3.364 0.277 1.530 1.00 . A A . 49 CYS HA 1 1 14 16605 1 1 49 CYS HB2 H -2.384 -1.700 3.577 1.00 . A A . 49 CYS HB2 1 1 14 16606 1 1 49 CYS HB3 H -2.301 -1.855 1.824 1.00 . A A . 49 CYS HB3 1 1 14 16607 1 1 49 CYS N N -3.231 0.930 3.497 1.00 . A A . 49 CYS N 1 1 14 16608 1 1 49 CYS O O -5.526 -0.993 1.778 1.00 . A A . 49 CYS O 1 1 14 16609 1 1 49 CYS SG S -0.563 -0.451 2.754 1.00 . A A . 49 CYS SG 1 1 14 16610 1 1 50 LYS C C -7.506 -1.296 3.966 1.00 . A A . 50 LYS C 1 1 14 16611 1 1 50 LYS CA C -6.206 -2.058 4.242 1.00 . A A . 50 LYS CA 1 1 14 16612 1 1 50 LYS CB C -6.149 -2.631 5.667 1.00 . A A . 50 LYS CB 1 1 14 16613 1 1 50 LYS CD C -5.315 -4.960 6.446 1.00 . A A . 50 LYS CD 1 1 14 16614 1 1 50 LYS CE C -6.162 -5.829 5.495 1.00 . A A . 50 LYS CE 1 1 14 16615 1 1 50 LYS CG C -4.959 -3.599 5.824 1.00 . A A . 50 LYS CG 1 1 14 16616 1 1 50 LYS H H -4.350 -1.098 4.695 1.00 . A A . 50 LYS H 1 1 14 16617 1 1 50 LYS HA H -6.211 -2.915 3.569 1.00 . A A . 50 LYS HA 1 1 14 16618 1 1 50 LYS HB2 H -6.057 -1.815 6.386 1.00 . A A . 50 LYS HB2 1 1 14 16619 1 1 50 LYS HB3 H -7.086 -3.150 5.867 1.00 . A A . 50 LYS HB3 1 1 14 16620 1 1 50 LYS HD2 H -4.375 -5.475 6.662 1.00 . A A . 50 LYS HD2 1 1 14 16621 1 1 50 LYS HD3 H -5.840 -4.787 7.387 1.00 . A A . 50 LYS HD3 1 1 14 16622 1 1 50 LYS HE2 H -7.123 -5.341 5.324 1.00 . A A . 50 LYS HE2 1 1 14 16623 1 1 50 LYS HE3 H -5.661 -5.934 4.532 1.00 . A A . 50 LYS HE3 1 1 14 16624 1 1 50 LYS HG2 H -4.498 -3.785 4.857 1.00 . A A . 50 LYS HG2 1 1 14 16625 1 1 50 LYS HG3 H -4.208 -3.111 6.446 1.00 . A A . 50 LYS HG3 1 1 14 16626 1 1 50 LYS HZ1 H -5.658 -7.832 5.941 1.00 . A A . 50 LYS HZ1 1 1 14 16627 1 1 50 LYS HZ2 H -6.710 -7.135 7.007 1.00 . A A . 50 LYS HZ2 1 1 14 16628 1 1 50 LYS HZ3 H -7.205 -7.606 5.534 1.00 . A A . 50 LYS HZ3 1 1 14 16629 1 1 50 LYS N N -5.016 -1.276 3.951 1.00 . A A . 50 LYS N 1 1 14 16630 1 1 50 LYS NZ N -6.432 -7.177 6.040 1.00 . A A . 50 LYS NZ 1 1 14 16631 1 1 50 LYS O O -8.509 -1.940 3.671 1.00 . A A . 50 LYS O 1 1 14 16632 1 1 51 THR C C -9.193 0.556 2.327 1.00 . A A . 51 THR C 1 1 14 16633 1 1 51 THR CA C -8.763 0.776 3.774 1.00 . A A . 51 THR CA 1 1 14 16634 1 1 51 THR CB C -8.609 2.257 4.143 1.00 . A A . 51 THR CB 1 1 14 16635 1 1 51 THR CG2 C -9.823 3.102 3.745 1.00 . A A . 51 THR CG2 1 1 14 16636 1 1 51 THR H H -6.660 0.555 4.140 1.00 . A A . 51 THR H 1 1 14 16637 1 1 51 THR HA H -9.551 0.368 4.410 1.00 . A A . 51 THR HA 1 1 14 16638 1 1 51 THR HB H -7.724 2.681 3.664 1.00 . A A . 51 THR HB 1 1 14 16639 1 1 51 THR HG1 H -7.624 1.970 5.788 1.00 . A A . 51 THR HG1 1 1 14 16640 1 1 51 THR HG21 H -9.918 3.156 2.660 1.00 . A A . 51 THR HG21 1 1 14 16641 1 1 51 THR HG22 H -10.733 2.679 4.170 1.00 . A A . 51 THR HG22 1 1 14 16642 1 1 51 THR HG23 H -9.690 4.116 4.127 1.00 . A A . 51 THR HG23 1 1 14 16643 1 1 51 THR N N -7.527 0.041 4.037 1.00 . A A . 51 THR N 1 1 14 16644 1 1 51 THR O O -10.260 -0.006 2.079 1.00 . A A . 51 THR O 1 1 14 16645 1 1 51 THR OG1 O -8.485 2.318 5.545 1.00 . A A . 51 THR OG1 1 1 14 16646 1 1 52 CYS C C -8.843 -0.804 -0.243 1.00 . A A . 52 CYS C 1 1 14 16647 1 1 52 CYS CA C -8.565 0.674 -0.030 1.00 . A A . 52 CYS CA 1 1 14 16648 1 1 52 CYS CB C -7.335 0.994 -0.821 1.00 . A A . 52 CYS CB 1 1 14 16649 1 1 52 CYS H H -7.455 1.364 1.651 1.00 . A A . 52 CYS H 1 1 14 16650 1 1 52 CYS HA H -9.419 1.242 -0.401 1.00 . A A . 52 CYS HA 1 1 14 16651 1 1 52 CYS HB2 H -6.427 0.815 -0.242 1.00 . A A . 52 CYS HB2 1 1 14 16652 1 1 52 CYS HB3 H -7.323 0.329 -1.685 1.00 . A A . 52 CYS HB3 1 1 14 16653 1 1 52 CYS N N -8.339 0.950 1.380 1.00 . A A . 52 CYS N 1 1 14 16654 1 1 52 CYS O O -9.804 -1.184 -0.905 1.00 . A A . 52 CYS O 1 1 14 16655 1 1 52 CYS SG S -7.353 2.680 -1.454 1.00 . A A . 52 CYS SG 1 1 14 16656 1 1 53 HIS C C -9.273 -3.702 0.460 1.00 . A A . 53 HIS C 1 1 14 16657 1 1 53 HIS CA C -7.989 -3.050 -0.070 1.00 . A A . 53 HIS CA 1 1 14 16658 1 1 53 HIS CB C -6.717 -3.729 0.426 1.00 . A A . 53 HIS CB 1 1 14 16659 1 1 53 HIS CD2 C -5.119 -2.586 -1.301 1.00 . A A . 53 HIS CD2 1 1 14 16660 1 1 53 HIS CE1 C -3.865 -4.315 -1.735 1.00 . A A . 53 HIS CE1 1 1 14 16661 1 1 53 HIS CG C -5.553 -3.643 -0.531 1.00 . A A . 53 HIS CG 1 1 14 16662 1 1 53 HIS H H -7.135 -1.278 0.768 1.00 . A A . 53 HIS H 1 1 14 16663 1 1 53 HIS HA H -8.015 -3.153 -1.157 1.00 . A A . 53 HIS HA 1 1 14 16664 1 1 53 HIS HB2 H -6.419 -3.323 1.388 1.00 . A A . 53 HIS HB2 1 1 14 16665 1 1 53 HIS HB3 H -6.957 -4.784 0.563 1.00 . A A . 53 HIS HB3 1 1 14 16666 1 1 53 HIS HD1 H -4.767 -5.621 -0.390 1.00 . A A . 53 HIS HD1 1 1 14 16667 1 1 53 HIS HD2 H -5.498 -1.580 -1.341 1.00 . A A . 53 HIS HD2 1 1 14 16668 1 1 53 HIS HE1 H -3.110 -4.964 -2.132 1.00 . A A . 53 HIS HE1 1 1 14 16669 1 1 53 HIS N N -7.937 -1.643 0.256 1.00 . A A . 53 HIS N 1 1 14 16670 1 1 53 HIS ND1 N -4.743 -4.709 -0.807 1.00 . A A . 53 HIS ND1 1 1 14 16671 1 1 53 HIS NE2 N -4.038 -3.028 -2.072 1.00 . A A . 53 HIS NE2 1 1 14 16672 1 1 53 HIS O O -9.735 -4.679 -0.126 1.00 . A A . 53 HIS O 1 1 14 16673 1 1 54 LYS C C -12.235 -3.174 0.905 1.00 . A A . 54 LYS C 1 1 14 16674 1 1 54 LYS CA C -11.199 -3.576 1.956 1.00 . A A . 54 LYS CA 1 1 14 16675 1 1 54 LYS CB C -11.559 -2.999 3.326 1.00 . A A . 54 LYS CB 1 1 14 16676 1 1 54 LYS CD C -10.794 -3.058 5.753 1.00 . A A . 54 LYS CD 1 1 14 16677 1 1 54 LYS CE C -12.050 -3.176 6.632 1.00 . A A . 54 LYS CE 1 1 14 16678 1 1 54 LYS CG C -10.861 -3.812 4.422 1.00 . A A . 54 LYS CG 1 1 14 16679 1 1 54 LYS H H -9.418 -2.405 2.033 1.00 . A A . 54 LYS H 1 1 14 16680 1 1 54 LYS HA H -11.220 -4.660 2.070 1.00 . A A . 54 LYS HA 1 1 14 16681 1 1 54 LYS HB2 H -11.270 -1.949 3.364 1.00 . A A . 54 LYS HB2 1 1 14 16682 1 1 54 LYS HB3 H -12.638 -3.070 3.442 1.00 . A A . 54 LYS HB3 1 1 14 16683 1 1 54 LYS HD2 H -9.960 -3.485 6.312 1.00 . A A . 54 LYS HD2 1 1 14 16684 1 1 54 LYS HD3 H -10.547 -2.016 5.549 1.00 . A A . 54 LYS HD3 1 1 14 16685 1 1 54 LYS HE2 H -12.212 -4.225 6.892 1.00 . A A . 54 LYS HE2 1 1 14 16686 1 1 54 LYS HE3 H -11.874 -2.621 7.554 1.00 . A A . 54 LYS HE3 1 1 14 16687 1 1 54 LYS HG2 H -11.334 -4.788 4.542 1.00 . A A . 54 LYS HG2 1 1 14 16688 1 1 54 LYS HG3 H -9.832 -3.988 4.099 1.00 . A A . 54 LYS HG3 1 1 14 16689 1 1 54 LYS HZ1 H -13.107 -1.692 5.674 1.00 . A A . 54 LYS HZ1 1 1 14 16690 1 1 54 LYS HZ2 H -13.503 -3.213 5.184 1.00 . A A . 54 LYS HZ2 1 1 14 16691 1 1 54 LYS HZ3 H -14.038 -2.657 6.631 1.00 . A A . 54 LYS HZ3 1 1 14 16692 1 1 54 LYS N N -9.861 -3.178 1.544 1.00 . A A . 54 LYS N 1 1 14 16693 1 1 54 LYS NZ N -13.263 -2.643 5.981 1.00 . A A . 54 LYS NZ 1 1 14 16694 1 1 54 LYS O O -13.031 -4.010 0.486 1.00 . A A . 54 LYS O 1 1 14 16695 1 1 55 SER C C -12.810 -1.836 -1.939 1.00 . A A . 55 SER C 1 1 14 16696 1 1 55 SER CA C -13.225 -1.437 -0.514 1.00 . A A . 55 SER CA 1 1 14 16697 1 1 55 SER CB C -13.405 0.079 -0.345 1.00 . A A . 55 SER CB 1 1 14 16698 1 1 55 SER H H -11.548 -1.239 0.760 1.00 . A A . 55 SER H 1 1 14 16699 1 1 55 SER HA H -14.197 -1.898 -0.329 1.00 . A A . 55 SER HA 1 1 14 16700 1 1 55 SER HB2 H -13.899 0.505 -1.221 1.00 . A A . 55 SER HB2 1 1 14 16701 1 1 55 SER HB3 H -14.034 0.262 0.526 1.00 . A A . 55 SER HB3 1 1 14 16702 1 1 55 SER HG H -12.271 1.656 -0.122 1.00 . A A . 55 SER HG 1 1 14 16703 1 1 55 SER N N -12.261 -1.908 0.476 1.00 . A A . 55 SER N 1 1 14 16704 1 1 55 SER O O -12.923 -1.041 -2.869 1.00 . A A . 55 SER O 1 1 14 16705 1 1 55 SER OG O -12.154 0.704 -0.128 1.00 . A A . 55 SER OG 1 1 14 16706 1 1 56 ASN C C -12.064 -5.153 -3.307 1.00 . A A . 56 ASN C 1 1 14 16707 1 1 56 ASN CA C -11.938 -3.638 -3.399 1.00 . A A . 56 ASN CA 1 1 14 16708 1 1 56 ASN CB C -10.473 -3.262 -3.688 1.00 . A A . 56 ASN CB 1 1 14 16709 1 1 56 ASN CG C -10.340 -1.925 -4.406 1.00 . A A . 56 ASN CG 1 1 14 16710 1 1 56 ASN H H -12.407 -3.742 -1.351 1.00 . A A . 56 ASN H 1 1 14 16711 1 1 56 ASN HA H -12.584 -3.287 -4.207 1.00 . A A . 56 ASN HA 1 1 14 16712 1 1 56 ASN HB2 H -9.898 -3.264 -2.761 1.00 . A A . 56 ASN HB2 1 1 14 16713 1 1 56 ASN HB3 H -10.031 -4.007 -4.349 1.00 . A A . 56 ASN HB3 1 1 14 16714 1 1 56 ASN HD21 H -9.970 -0.952 -2.669 1.00 . A A . 56 ASN HD21 1 1 14 16715 1 1 56 ASN HD22 H -9.990 0.041 -4.122 1.00 . A A . 56 ASN HD22 1 1 14 16716 1 1 56 ASN N N -12.374 -3.085 -2.126 1.00 . A A . 56 ASN N 1 1 14 16717 1 1 56 ASN ND2 N -10.018 -0.861 -3.680 1.00 . A A . 56 ASN ND2 1 1 14 16718 1 1 56 ASN O O -12.185 -5.707 -2.213 1.00 . A A . 56 ASN O 1 1 14 16719 1 1 56 ASN OD1 O -10.501 -1.853 -5.619 1.00 . A A . 56 ASN OD1 1 1 14 16720 1 1 57 ASN C C -10.446 -7.676 -4.090 1.00 . A A . 57 ASN C 1 1 14 16721 1 1 57 ASN CA C -11.871 -7.293 -4.495 1.00 . A A . 57 ASN CA 1 1 14 16722 1 1 57 ASN CB C -12.220 -7.808 -5.900 1.00 . A A . 57 ASN CB 1 1 14 16723 1 1 57 ASN CG C -13.712 -7.696 -6.185 1.00 . A A . 57 ASN CG 1 1 14 16724 1 1 57 ASN H H -11.867 -5.316 -5.307 1.00 . A A . 57 ASN H 1 1 14 16725 1 1 57 ASN HA H -12.562 -7.748 -3.783 1.00 . A A . 57 ASN HA 1 1 14 16726 1 1 57 ASN HB2 H -11.663 -7.243 -6.649 1.00 . A A . 57 ASN HB2 1 1 14 16727 1 1 57 ASN HB3 H -11.934 -8.858 -5.987 1.00 . A A . 57 ASN HB3 1 1 14 16728 1 1 57 ASN HD21 H -14.101 -9.482 -5.282 1.00 . A A . 57 ASN HD21 1 1 14 16729 1 1 57 ASN HD22 H -15.483 -8.625 -5.945 1.00 . A A . 57 ASN HD22 1 1 14 16730 1 1 57 ASN N N -11.986 -5.837 -4.449 1.00 . A A . 57 ASN N 1 1 14 16731 1 1 57 ASN ND2 N -14.493 -8.687 -5.761 1.00 . A A . 57 ASN ND2 1 1 14 16732 1 1 57 ASN O O -9.670 -8.149 -4.915 1.00 . A A . 57 ASN O 1 1 14 16733 1 1 57 ASN OD1 O -14.167 -6.724 -6.777 1.00 . A A . 57 ASN OD1 1 1 14 16734 1 1 58 GLY C C -8.586 -8.422 -1.128 1.00 . A A . 58 GLY C 1 1 14 16735 1 1 58 GLY CA C -8.733 -7.479 -2.324 1.00 . A A . 58 GLY CA 1 1 14 16736 1 1 58 GLY H H -10.804 -7.026 -2.212 1.00 . A A . 58 GLY H 1 1 14 16737 1 1 58 GLY HA2 H -8.038 -7.792 -3.105 1.00 . A A . 58 GLY HA2 1 1 14 16738 1 1 58 GLY HA3 H -8.480 -6.465 -2.017 1.00 . A A . 58 GLY HA3 1 1 14 16739 1 1 58 GLY N N -10.097 -7.420 -2.827 1.00 . A A . 58 GLY N 1 1 14 16740 1 1 58 GLY O O -9.547 -9.073 -0.715 1.00 . A A . 58 GLY O 1 1 14 16741 1 1 59 PRO C C -7.817 -8.977 1.803 1.00 . A A . 59 PRO C 1 1 14 16742 1 1 59 PRO CA C -7.040 -9.381 0.552 1.00 . A A . 59 PRO CA 1 1 14 16743 1 1 59 PRO CB C -5.527 -9.240 0.745 1.00 . A A . 59 PRO CB 1 1 14 16744 1 1 59 PRO CD C -6.206 -7.746 -0.972 1.00 . A A . 59 PRO CD 1 1 14 16745 1 1 59 PRO CG C -5.245 -7.834 0.211 1.00 . A A . 59 PRO CG 1 1 14 16746 1 1 59 PRO HA H -7.279 -10.417 0.301 1.00 . A A . 59 PRO HA 1 1 14 16747 1 1 59 PRO HB2 H -5.220 -9.366 1.785 1.00 . A A . 59 PRO HB2 1 1 14 16748 1 1 59 PRO HB3 H -5.027 -9.976 0.115 1.00 . A A . 59 PRO HB3 1 1 14 16749 1 1 59 PRO HD2 H -6.444 -6.707 -1.194 1.00 . A A . 59 PRO HD2 1 1 14 16750 1 1 59 PRO HD3 H -5.757 -8.217 -1.850 1.00 . A A . 59 PRO HD3 1 1 14 16751 1 1 59 PRO HG2 H -5.525 -7.106 0.973 1.00 . A A . 59 PRO HG2 1 1 14 16752 1 1 59 PRO HG3 H -4.212 -7.683 -0.096 1.00 . A A . 59 PRO HG3 1 1 14 16753 1 1 59 PRO N N -7.370 -8.508 -0.565 1.00 . A A . 59 PRO N 1 1 14 16754 1 1 59 PRO O O -7.723 -7.844 2.278 1.00 . A A . 59 PRO O 1 1 14 16755 1 1 60 THR C C -8.637 -9.747 4.734 1.00 . A A . 60 THR C 1 1 14 16756 1 1 60 THR CA C -9.474 -9.723 3.462 1.00 . A A . 60 THR CA 1 1 14 16757 1 1 60 THR CB C -10.494 -10.869 3.415 1.00 . A A . 60 THR CB 1 1 14 16758 1 1 60 THR CG2 C -11.485 -10.653 2.266 1.00 . A A . 60 THR CG2 1 1 14 16759 1 1 60 THR H H -8.529 -10.879 2.010 1.00 . A A . 60 THR H 1 1 14 16760 1 1 60 THR HA H -9.984 -8.762 3.380 1.00 . A A . 60 THR HA 1 1 14 16761 1 1 60 THR HB H -11.046 -10.920 4.355 1.00 . A A . 60 THR HB 1 1 14 16762 1 1 60 THR HG1 H -10.357 -12.692 2.714 1.00 . A A . 60 THR HG1 1 1 14 16763 1 1 60 THR HG21 H -12.015 -9.711 2.409 1.00 . A A . 60 THR HG21 1 1 14 16764 1 1 60 THR HG22 H -10.963 -10.619 1.309 1.00 . A A . 60 THR HG22 1 1 14 16765 1 1 60 THR HG23 H -12.214 -11.463 2.246 1.00 . A A . 60 THR HG23 1 1 14 16766 1 1 60 THR N N -8.572 -9.926 2.350 1.00 . A A . 60 THR N 1 1 14 16767 1 1 60 THR O O -8.464 -8.730 5.407 1.00 . A A . 60 THR O 1 1 14 16768 1 1 60 THR OG1 O -9.785 -12.080 3.189 1.00 . A A . 60 THR OG1 1 1 14 16769 1 1 61 LYS C C -5.727 -10.769 5.613 1.00 . A A . 61 LYS C 1 1 14 16770 1 1 61 LYS CA C -7.133 -11.130 6.106 1.00 . A A . 61 LYS CA 1 1 14 16771 1 1 61 LYS CB C -7.258 -12.569 6.639 1.00 . A A . 61 LYS CB 1 1 14 16772 1 1 61 LYS CD C -8.736 -14.243 7.806 1.00 . A A . 61 LYS CD 1 1 14 16773 1 1 61 LYS CE C -10.128 -14.501 8.404 1.00 . A A . 61 LYS CE 1 1 14 16774 1 1 61 LYS CG C -8.643 -12.814 7.254 1.00 . A A . 61 LYS CG 1 1 14 16775 1 1 61 LYS H H -8.306 -11.685 4.397 1.00 . A A . 61 LYS H 1 1 14 16776 1 1 61 LYS HA H -7.369 -10.458 6.932 1.00 . A A . 61 LYS HA 1 1 14 16777 1 1 61 LYS HB2 H -7.107 -13.286 5.830 1.00 . A A . 61 LYS HB2 1 1 14 16778 1 1 61 LYS HB3 H -6.497 -12.728 7.404 1.00 . A A . 61 LYS HB3 1 1 14 16779 1 1 61 LYS HD2 H -8.543 -14.944 6.990 1.00 . A A . 61 LYS HD2 1 1 14 16780 1 1 61 LYS HD3 H -7.967 -14.373 8.571 1.00 . A A . 61 LYS HD3 1 1 14 16781 1 1 61 LYS HE2 H -10.306 -13.793 9.218 1.00 . A A . 61 LYS HE2 1 1 14 16782 1 1 61 LYS HE3 H -10.885 -14.337 7.634 1.00 . A A . 61 LYS HE3 1 1 14 16783 1 1 61 LYS HG2 H -8.809 -12.096 8.060 1.00 . A A . 61 LYS HG2 1 1 14 16784 1 1 61 LYS HG3 H -9.409 -12.669 6.490 1.00 . A A . 61 LYS HG3 1 1 14 16785 1 1 61 LYS HZ1 H -10.130 -16.551 8.184 1.00 . A A . 61 LYS HZ1 1 1 14 16786 1 1 61 LYS HZ2 H -9.593 -16.048 9.658 1.00 . A A . 61 LYS HZ2 1 1 14 16787 1 1 61 LYS HZ3 H -11.197 -16.005 9.308 1.00 . A A . 61 LYS HZ3 1 1 14 16788 1 1 61 LYS N N -8.080 -10.921 5.027 1.00 . A A . 61 LYS N 1 1 14 16789 1 1 61 LYS NZ N -10.268 -15.877 8.926 1.00 . A A . 61 LYS NZ 1 1 14 16790 1 1 61 LYS O O -5.352 -9.591 5.662 1.00 . A A . 61 LYS O 1 1 14 16791 1 1 62 CYS C C -3.187 -12.175 3.472 1.00 . A A . 62 CYS C 1 1 14 16792 1 1 62 CYS CA C -3.538 -11.682 4.874 1.00 . A A . 62 CYS CA 1 1 14 16793 1 1 62 CYS CB C -2.706 -12.382 5.932 1.00 . A A . 62 CYS CB 1 1 14 16794 1 1 62 CYS H H -5.407 -12.659 4.981 1.00 . A A . 62 CYS H 1 1 14 16795 1 1 62 CYS HA H -3.274 -10.645 4.836 1.00 . A A . 62 CYS HA 1 1 14 16796 1 1 62 CYS HB2 H -2.638 -13.440 5.673 1.00 . A A . 62 CYS HB2 1 1 14 16797 1 1 62 CYS HB3 H -1.703 -11.954 5.922 1.00 . A A . 62 CYS HB3 1 1 14 16798 1 1 62 CYS N N -4.969 -11.771 5.148 1.00 . A A . 62 CYS N 1 1 14 16799 1 1 62 CYS O O -4.050 -12.239 2.600 1.00 . A A . 62 CYS O 1 1 14 16800 1 1 62 CYS SG S -3.338 -12.328 7.636 1.00 . A A . 62 CYS SG 1 1 14 16801 1 1 63 GLY C C -1.209 -12.039 0.899 1.00 . A A . 63 GLY C 1 1 14 16802 1 1 63 GLY CA C -1.415 -13.076 1.999 1.00 . A A . 63 GLY CA 1 1 14 16803 1 1 63 GLY H H -1.228 -12.272 3.958 1.00 . A A . 63 GLY H 1 1 14 16804 1 1 63 GLY HA2 H -0.463 -13.563 2.207 1.00 . A A . 63 GLY HA2 1 1 14 16805 1 1 63 GLY HA3 H -2.122 -13.830 1.651 1.00 . A A . 63 GLY HA3 1 1 14 16806 1 1 63 GLY N N -1.904 -12.463 3.231 1.00 . A A . 63 GLY N 1 1 14 16807 1 1 63 GLY O O -0.217 -12.075 0.183 1.00 . A A . 63 GLY O 1 1 14 16808 1 1 64 GLY C C -0.785 -9.374 -0.401 1.00 . A A . 64 GLY C 1 1 14 16809 1 1 64 GLY CA C -2.156 -9.999 -0.151 1.00 . A A . 64 GLY CA 1 1 14 16810 1 1 64 GLY H H -2.978 -11.231 1.368 1.00 . A A . 64 GLY H 1 1 14 16811 1 1 64 GLY HA2 H -2.615 -10.304 -1.092 1.00 . A A . 64 GLY HA2 1 1 14 16812 1 1 64 GLY HA3 H -2.760 -9.230 0.323 1.00 . A A . 64 GLY HA3 1 1 14 16813 1 1 64 GLY N N -2.156 -11.105 0.790 1.00 . A A . 64 GLY N 1 1 14 16814 1 1 64 GLY O O -0.337 -9.260 -1.538 1.00 . A A . 64 GLY O 1 1 14 16815 1 1 65 CYS C C 2.231 -8.567 1.055 1.00 . A A . 65 CYS C 1 1 14 16816 1 1 65 CYS CA C 0.918 -7.925 0.614 1.00 . A A . 65 CYS CA 1 1 14 16817 1 1 65 CYS CB C 0.554 -6.747 1.477 1.00 . A A . 65 CYS CB 1 1 14 16818 1 1 65 CYS H H -0.633 -9.012 1.564 1.00 . A A . 65 CYS H 1 1 14 16819 1 1 65 CYS HA H 1.049 -7.565 -0.406 1.00 . A A . 65 CYS HA 1 1 14 16820 1 1 65 CYS HB2 H 0.607 -7.069 2.515 1.00 . A A . 65 CYS HB2 1 1 14 16821 1 1 65 CYS HB3 H 1.257 -5.933 1.321 1.00 . A A . 65 CYS HB3 1 1 14 16822 1 1 65 CYS N N -0.173 -8.888 0.678 1.00 . A A . 65 CYS N 1 1 14 16823 1 1 65 CYS O O 3.251 -8.406 0.386 1.00 . A A . 65 CYS O 1 1 14 16824 1 1 65 CYS SG S -1.136 -6.187 1.084 1.00 . A A . 65 CYS SG 1 1 14 16825 1 1 66 HIS C C 3.438 -11.306 1.764 1.00 . A A . 66 HIS C 1 1 14 16826 1 1 66 HIS CA C 3.315 -10.079 2.663 1.00 . A A . 66 HIS CA 1 1 14 16827 1 1 66 HIS CB C 3.109 -10.533 4.113 1.00 . A A . 66 HIS CB 1 1 14 16828 1 1 66 HIS CD2 C 1.820 -8.835 5.526 1.00 . A A . 66 HIS CD2 1 1 14 16829 1 1 66 HIS CE1 C 3.469 -7.875 6.584 1.00 . A A . 66 HIS CE1 1 1 14 16830 1 1 66 HIS CG C 2.985 -9.418 5.112 1.00 . A A . 66 HIS CG 1 1 14 16831 1 1 66 HIS H H 1.304 -9.408 2.642 1.00 . A A . 66 HIS H 1 1 14 16832 1 1 66 HIS HA H 4.219 -9.472 2.629 1.00 . A A . 66 HIS HA 1 1 14 16833 1 1 66 HIS HB2 H 2.247 -11.198 4.173 1.00 . A A . 66 HIS HB2 1 1 14 16834 1 1 66 HIS HB3 H 3.973 -11.142 4.386 1.00 . A A . 66 HIS HB3 1 1 14 16835 1 1 66 HIS HD1 H 5.013 -8.992 5.706 1.00 . A A . 66 HIS HD1 1 1 14 16836 1 1 66 HIS HD2 H 0.814 -9.075 5.245 1.00 . A A . 66 HIS HD2 1 1 14 16837 1 1 66 HIS HE1 H 4.010 -7.230 7.253 1.00 . A A . 66 HIS HE1 1 1 14 16838 1 1 66 HIS N N 2.192 -9.287 2.184 1.00 . A A . 66 HIS N 1 1 14 16839 1 1 66 HIS ND1 N 4.019 -8.808 5.787 1.00 . A A . 66 HIS ND1 1 1 14 16840 1 1 66 HIS NE2 N 2.135 -7.854 6.455 1.00 . A A . 66 HIS NE2 1 1 14 16841 1 1 66 HIS O O 2.486 -12.080 1.658 1.00 . A A . 66 HIS O 1 1 14 16842 1 1 67 ILE C C 5.189 -13.812 1.358 1.00 . A A . 67 ILE C 1 1 14 16843 1 1 67 ILE CA C 4.844 -12.705 0.369 1.00 . A A . 67 ILE CA 1 1 14 16844 1 1 67 ILE CB C 5.894 -12.476 -0.721 1.00 . A A . 67 ILE CB 1 1 14 16845 1 1 67 ILE CD1 C 6.004 -11.291 -2.976 1.00 . A A . 67 ILE CD1 1 1 14 16846 1 1 67 ILE CG1 C 5.384 -11.308 -1.586 1.00 . A A . 67 ILE CG1 1 1 14 16847 1 1 67 ILE CG2 C 6.071 -13.775 -1.528 1.00 . A A . 67 ILE CG2 1 1 14 16848 1 1 67 ILE H H 5.376 -10.894 1.360 1.00 . A A . 67 ILE H 1 1 14 16849 1 1 67 ILE HA H 3.929 -12.990 -0.156 1.00 . A A . 67 ILE HA 1 1 14 16850 1 1 67 ILE HB H 6.852 -12.205 -0.273 1.00 . A A . 67 ILE HB 1 1 14 16851 1 1 67 ILE HD11 H 5.700 -10.379 -3.488 1.00 . A A . 67 ILE HD11 1 1 14 16852 1 1 67 ILE HD12 H 7.089 -11.326 -2.892 1.00 . A A . 67 ILE HD12 1 1 14 16853 1 1 67 ILE HD13 H 5.634 -12.152 -3.531 1.00 . A A . 67 ILE HD13 1 1 14 16854 1 1 67 ILE HG12 H 4.304 -11.376 -1.719 1.00 . A A . 67 ILE HG12 1 1 14 16855 1 1 67 ILE HG13 H 5.611 -10.365 -1.086 1.00 . A A . 67 ILE HG13 1 1 14 16856 1 1 67 ILE HG21 H 6.358 -14.599 -0.877 1.00 . A A . 67 ILE HG21 1 1 14 16857 1 1 67 ILE HG22 H 5.139 -14.035 -2.032 1.00 . A A . 67 ILE HG22 1 1 14 16858 1 1 67 ILE HG23 H 6.863 -13.660 -2.268 1.00 . A A . 67 ILE HG23 1 1 14 16859 1 1 67 ILE N N 4.591 -11.498 1.128 1.00 . A A . 67 ILE N 1 1 14 16860 1 1 67 ILE O O 6.348 -13.999 1.728 1.00 . A A . 67 ILE O 1 1 14 16861 1 1 68 LYS C C 3.794 -14.777 4.155 1.00 . A A . 68 LYS C 1 1 14 16862 1 1 68 LYS CA C 4.064 -15.498 2.827 1.00 . A A . 68 LYS CA 1 1 14 16863 1 1 68 LYS CB C 5.316 -16.396 2.885 1.00 . A A . 68 LYS CB 1 1 14 16864 1 1 68 LYS CD C 4.372 -18.788 2.702 1.00 . A A . 68 LYS CD 1 1 14 16865 1 1 68 LYS CE C 5.315 -19.362 1.630 1.00 . A A . 68 LYS CE 1 1 14 16866 1 1 68 LYS CG C 5.075 -17.744 3.585 1.00 . A A . 68 LYS CG 1 1 14 16867 1 1 68 LYS H H 3.261 -14.133 1.406 1.00 . A A . 68 LYS H 1 1 14 16868 1 1 68 LYS HA H 3.193 -16.119 2.617 1.00 . A A . 68 LYS HA 1 1 14 16869 1 1 68 LYS HB2 H 5.694 -16.572 1.879 1.00 . A A . 68 LYS HB2 1 1 14 16870 1 1 68 LYS HB3 H 6.085 -15.862 3.446 1.00 . A A . 68 LYS HB3 1 1 14 16871 1 1 68 LYS HD2 H 4.036 -19.594 3.358 1.00 . A A . 68 LYS HD2 1 1 14 16872 1 1 68 LYS HD3 H 3.492 -18.336 2.240 1.00 . A A . 68 LYS HD3 1 1 14 16873 1 1 68 LYS HE2 H 5.651 -18.569 0.962 1.00 . A A . 68 LYS HE2 1 1 14 16874 1 1 68 LYS HE3 H 6.190 -19.795 2.119 1.00 . A A . 68 LYS HE3 1 1 14 16875 1 1 68 LYS HG2 H 6.036 -18.139 3.916 1.00 . A A . 68 LYS HG2 1 1 14 16876 1 1 68 LYS HG3 H 4.472 -17.566 4.478 1.00 . A A . 68 LYS HG3 1 1 14 16877 1 1 68 LYS HZ1 H 5.314 -20.762 0.131 1.00 . A A . 68 LYS HZ1 1 1 14 16878 1 1 68 LYS HZ2 H 4.353 -21.169 1.401 1.00 . A A . 68 LYS HZ2 1 1 14 16879 1 1 68 LYS HZ3 H 3.863 -20.017 0.329 1.00 . A A . 68 LYS HZ3 1 1 14 16880 1 1 68 LYS N N 4.132 -14.525 1.740 1.00 . A A . 68 LYS N 1 1 14 16881 1 1 68 LYS NZ N 4.660 -20.405 0.815 1.00 . A A . 68 LYS NZ 1 1 14 16882 1 1 68 LYS O O 3.331 -15.473 5.084 1.00 . A A . 68 LYS O 1 1 14 16883 1 1 68 LYS OXT O 4.033 -13.550 4.218 1.00 . A A . 68 LYS OXT 1 1 14 16884 2 2 1 HEC C1A C 7.356 8.136 -3.175 1.00 . B A . 69 HEC C1A 1 1 14 16885 2 2 1 HEC C1B C 4.909 9.106 -6.553 1.00 . B A . 69 HEC C1B 1 1 14 16886 2 2 1 HEC C1C C 2.008 6.226 -5.316 1.00 . B A . 69 HEC C1C 1 1 14 16887 2 2 1 HEC C1D C 4.339 5.426 -1.847 1.00 . B A . 69 HEC C1D 1 1 14 16888 2 2 1 HEC C2A C 8.462 8.995 -3.535 1.00 . B A . 69 HEC C2A 1 1 14 16889 2 2 1 HEC C2B C 4.202 9.555 -7.733 1.00 . B A . 69 HEC C2B 1 1 14 16890 2 2 1 HEC C2C C 0.883 5.395 -4.964 1.00 . B A . 69 HEC C2C 1 1 14 16891 2 2 1 HEC C2D C 5.039 4.980 -0.667 1.00 . B A . 69 HEC C2D 1 1 14 16892 2 2 1 HEC C3A C 8.061 9.715 -4.629 1.00 . B A . 69 HEC C3A 1 1 14 16893 2 2 1 HEC C3B C 3.062 8.795 -7.838 1.00 . B A . 69 HEC C3B 1 1 14 16894 2 2 1 HEC C3C C 1.145 4.870 -3.718 1.00 . B A . 69 HEC C3C 1 1 14 16895 2 2 1 HEC C3D C 6.238 5.643 -0.639 1.00 . B A . 69 HEC C3D 1 1 14 16896 2 2 1 HEC C4A C 6.769 9.206 -5.023 1.00 . B A . 69 HEC C4A 1 1 14 16897 2 2 1 HEC C4B C 3.093 7.838 -6.750 1.00 . B A . 69 HEC C4B 1 1 14 16898 2 2 1 HEC C4C C 2.467 5.332 -3.347 1.00 . B A . 69 HEC C4C 1 1 14 16899 2 2 1 HEC C4D C 6.283 6.481 -1.809 1.00 . B A . 69 HEC C4D 1 1 14 16900 2 2 1 HEC CAA C 9.869 8.965 -2.973 1.00 . B A . 69 HEC CAA 1 1 14 16901 2 2 1 HEC CAB C 1.847 9.135 -8.684 1.00 . B A . 69 HEC CAB 1 1 14 16902 2 2 1 HEC CAC C 0.157 4.173 -2.792 1.00 . B A . 69 HEC CAC 1 1 14 16903 2 2 1 HEC CAD C 7.187 5.706 0.526 1.00 . B A . 69 HEC CAD 1 1 14 16904 2 2 1 HEC CBA C 10.934 8.547 -4.003 1.00 . B A . 69 HEC CBA 1 1 14 16905 2 2 1 HEC CBB C 2.113 9.468 -10.159 1.00 . B A . 69 HEC CBB 1 1 14 16906 2 2 1 HEC CBC C -0.258 2.765 -3.225 1.00 . B A . 69 HEC CBC 1 1 14 16907 2 2 1 HEC CBD C 8.318 4.683 0.575 1.00 . B A . 69 HEC CBD 1 1 14 16908 2 2 1 HEC CGA C 10.514 7.340 -4.858 1.00 . B A . 69 HEC CGA 1 1 14 16909 2 2 1 HEC CGD C 9.145 4.980 1.825 1.00 . B A . 69 HEC CGD 1 1 14 16910 2 2 1 HEC CHA C 7.334 7.310 -2.077 1.00 . B A . 69 HEC CHA 1 1 14 16911 2 2 1 HEC CHB C 6.091 9.666 -6.121 1.00 . B A . 69 HEC CHB 1 1 14 16912 2 2 1 HEC CHC C 2.062 6.960 -6.474 1.00 . B A . 69 HEC CHC 1 1 14 16913 2 2 1 HEC CHD C 3.100 4.963 -2.185 1.00 . B A . 69 HEC CHD 1 1 14 16914 2 2 1 HEC CMA C 8.879 10.762 -5.349 1.00 . B A . 69 HEC CMA 1 1 14 16915 2 2 1 HEC CMB C 4.587 10.692 -8.657 1.00 . B A . 69 HEC CMB 1 1 14 16916 2 2 1 HEC CMC C -0.383 5.263 -5.781 1.00 . B A . 69 HEC CMC 1 1 14 16917 2 2 1 HEC CMD C 4.558 3.966 0.341 1.00 . B A . 69 HEC CMD 1 1 14 16918 2 2 1 HEC FE FE 4.677 7.205 -4.245 1.00 . B A . 69 HEC FE 1 1 14 16919 2 2 1 HEC HAA1 H 10.127 9.944 -2.573 1.00 . B A . 69 HEC HAA1 1 1 14 16920 2 2 1 HEC HAA2 H 9.934 8.242 -2.165 1.00 . B A . 69 HEC HAA2 1 1 14 16921 2 2 1 HEC HAB H 1.185 8.278 -8.708 1.00 . B A . 69 HEC HAB 1 1 14 16922 2 2 1 HEC HAC H 0.579 4.080 -1.796 1.00 . B A . 69 HEC HAC 1 1 14 16923 2 2 1 HEC HAD1 H 7.663 6.673 0.553 1.00 . B A . 69 HEC HAD1 1 1 14 16924 2 2 1 HEC HAD2 H 6.602 5.611 1.424 1.00 . B A . 69 HEC HAD2 1 1 14 16925 2 2 1 HEC HBA1 H 11.146 9.391 -4.659 1.00 . B A . 69 HEC HBA1 1 1 14 16926 2 2 1 HEC HBA2 H 11.854 8.307 -3.468 1.00 . B A . 69 HEC HBA2 1 1 14 16927 2 2 1 HEC HBB1 H 2.846 8.775 -10.572 1.00 . B A . 69 HEC HBB1 1 1 14 16928 2 2 1 HEC HBB2 H 1.188 9.363 -10.727 1.00 . B A . 69 HEC HBB2 1 1 14 16929 2 2 1 HEC HBB3 H 2.463 10.491 -10.279 1.00 . B A . 69 HEC HBB3 1 1 14 16930 2 2 1 HEC HBC1 H -0.912 2.814 -4.090 1.00 . B A . 69 HEC HBC1 1 1 14 16931 2 2 1 HEC HBC2 H 0.619 2.165 -3.469 1.00 . B A . 69 HEC HBC2 1 1 14 16932 2 2 1 HEC HBC3 H -0.805 2.279 -2.418 1.00 . B A . 69 HEC HBC3 1 1 14 16933 2 2 1 HEC HBD1 H 7.909 3.676 0.627 1.00 . B A . 69 HEC HBD1 1 1 14 16934 2 2 1 HEC HBD2 H 8.935 4.778 -0.319 1.00 . B A . 69 HEC HBD2 1 1 14 16935 2 2 1 HEC HHA H 8.163 7.288 -1.397 1.00 . B A . 69 HEC HHA 1 1 14 16936 2 2 1 HEC HHB H 6.518 10.487 -6.652 1.00 . B A . 69 HEC HHB 1 1 14 16937 2 2 1 HEC HHC H 1.226 6.892 -7.140 1.00 . B A . 69 HEC HHC 1 1 14 16938 2 2 1 HEC HHD H 2.628 4.266 -1.523 1.00 . B A . 69 HEC HHD 1 1 14 16939 2 2 1 HEC HMA1 H 9.381 10.288 -6.192 1.00 . B A . 69 HEC HMA1 1 1 14 16940 2 2 1 HEC HMA2 H 8.252 11.575 -5.702 1.00 . B A . 69 HEC HMA2 1 1 14 16941 2 2 1 HEC HMA3 H 9.629 11.172 -4.673 1.00 . B A . 69 HEC HMA3 1 1 14 16942 2 2 1 HEC HMB1 H 3.779 11.424 -8.655 1.00 . B A . 69 HEC HMB1 1 1 14 16943 2 2 1 HEC HMB2 H 5.498 11.199 -8.357 1.00 . B A . 69 HEC HMB2 1 1 14 16944 2 2 1 HEC HMB3 H 4.729 10.301 -9.663 1.00 . B A . 69 HEC HMB3 1 1 14 16945 2 2 1 HEC HMC1 H -0.152 4.779 -6.728 1.00 . B A . 69 HEC HMC1 1 1 14 16946 2 2 1 HEC HMC2 H -1.146 4.687 -5.263 1.00 . B A . 69 HEC HMC2 1 1 14 16947 2 2 1 HEC HMC3 H -0.785 6.258 -5.972 1.00 . B A . 69 HEC HMC3 1 1 14 16948 2 2 1 HEC HMD1 H 5.413 3.535 0.858 1.00 . B A . 69 HEC HMD1 1 1 14 16949 2 2 1 HEC HMD2 H 3.905 4.454 1.060 1.00 . B A . 69 HEC HMD2 1 1 14 16950 2 2 1 HEC HMD3 H 4.021 3.156 -0.148 1.00 . B A . 69 HEC HMD3 1 1 14 16951 2 2 1 HEC NA N 6.382 8.275 -4.125 1.00 . B A . 69 HEC NA 1 1 14 16952 2 2 1 HEC NB N 4.209 8.082 -5.998 1.00 . B A . 69 HEC NB 1 1 14 16953 2 2 1 HEC NC N 2.922 6.170 -4.317 1.00 . B A . 69 HEC NC 1 1 14 16954 2 2 1 HEC ND N 5.127 6.323 -2.494 1.00 . B A . 69 HEC ND 1 1 14 16955 2 2 1 HEC O1A O 9.994 6.368 -4.268 1.00 . B A . 69 HEC O1A 1 1 14 16956 2 2 1 HEC O1D O 8.593 4.851 2.948 1.00 . B A . 69 HEC O1D 1 1 14 16957 2 2 1 HEC O2A O 10.685 7.424 -6.097 1.00 . B A . 69 HEC O2A 1 1 14 16958 2 2 1 HEC O2D O 10.267 5.517 1.709 1.00 . B A . 69 HEC O2D 1 1 14 16959 3 2 1 HEC C1A C -2.298 -4.575 -4.830 1.00 . C A . 70 HEC C1A 1 1 14 16960 3 2 1 HEC C1B C -0.648 -2.565 -1.445 1.00 . C A . 70 HEC C1B 1 1 14 16961 3 2 1 HEC C1C C -3.483 0.613 -1.952 1.00 . C A . 70 HEC C1C 1 1 14 16962 3 2 1 HEC C1D C -5.314 -1.527 -5.121 1.00 . C A . 70 HEC C1D 1 1 14 16963 3 2 1 HEC C2A C -1.421 -5.722 -4.790 1.00 . C A . 70 HEC C2A 1 1 14 16964 3 2 1 HEC C2B C -0.034 -2.032 -0.254 1.00 . C A . 70 HEC C2B 1 1 14 16965 3 2 1 HEC C2C C -4.339 1.773 -2.003 1.00 . C A . 70 HEC C2C 1 1 14 16966 3 2 1 HEC C2D C -6.008 -2.100 -6.252 1.00 . C A . 70 HEC C2D 1 1 14 16967 3 2 1 HEC C3A C -0.532 -5.528 -3.759 1.00 . C A . 70 HEC C3A 1 1 14 16968 3 2 1 HEC C3B C -0.612 -0.806 -0.008 1.00 . C A . 70 HEC C3B 1 1 14 16969 3 2 1 HEC C3C C -5.330 1.508 -2.919 1.00 . C A . 70 HEC C3C 1 1 14 16970 3 2 1 HEC C3D C -5.330 -3.237 -6.610 1.00 . C A . 70 HEC C3D 1 1 14 16971 3 2 1 HEC C4A C -0.875 -4.273 -3.128 1.00 . C A . 70 HEC C4A 1 1 14 16972 3 2 1 HEC C4B C -1.641 -0.622 -1.012 1.00 . C A . 70 HEC C4B 1 1 14 16973 3 2 1 HEC C4C C -4.985 0.234 -3.525 1.00 . C A . 70 HEC C4C 1 1 14 16974 3 2 1 HEC C4D C -4.228 -3.391 -5.684 1.00 . C A . 70 HEC C4D 1 1 14 16975 3 2 1 HEC CAA C -1.592 -7.003 -5.574 1.00 . C A . 70 HEC CAA 1 1 14 16976 3 2 1 HEC CAB C -0.220 0.182 1.080 1.00 . C A . 70 HEC CAB 1 1 14 16977 3 2 1 HEC CAC C -6.644 2.279 -3.077 1.00 . C A . 70 HEC CAC 1 1 14 16978 3 2 1 HEC CAD C -5.647 -4.090 -7.821 1.00 . C A . 70 HEC CAD 1 1 14 16979 3 2 1 HEC CBA C -2.686 -7.897 -4.971 1.00 . C A . 70 HEC CBA 1 1 14 16980 3 2 1 HEC CBB C 1.238 0.645 0.944 1.00 . C A . 70 HEC CBB 1 1 14 16981 3 2 1 HEC CBC C -6.585 3.550 -3.923 1.00 . C A . 70 HEC CBC 1 1 14 16982 3 2 1 HEC CBD C -4.905 -3.624 -9.083 1.00 . C A . 70 HEC CBD 1 1 14 16983 3 2 1 HEC CGA C -2.836 -9.244 -5.690 1.00 . C A . 70 HEC CGA 1 1 14 16984 3 2 1 HEC CGD C -5.387 -4.312 -10.366 1.00 . C A . 70 HEC CGD 1 1 14 16985 3 2 1 HEC CHA C -3.336 -4.440 -5.726 1.00 . C A . 70 HEC CHA 1 1 14 16986 3 2 1 HEC CHB C -0.264 -3.765 -2.002 1.00 . C A . 70 HEC CHB 1 1 14 16987 3 2 1 HEC CHC C -2.454 0.490 -1.064 1.00 . C A . 70 HEC CHC 1 1 14 16988 3 2 1 HEC CHD C -5.705 -0.348 -4.529 1.00 . C A . 70 HEC CHD 1 1 14 16989 3 2 1 HEC CMA C 0.567 -6.485 -3.362 1.00 . C A . 70 HEC CMA 1 1 14 16990 3 2 1 HEC CMB C 0.958 -2.775 0.611 1.00 . C A . 70 HEC CMB 1 1 14 16991 3 2 1 HEC CMC C -4.177 3.028 -1.174 1.00 . C A . 70 HEC CMC 1 1 14 16992 3 2 1 HEC CMD C -7.232 -1.553 -6.957 1.00 . C A . 70 HEC CMD 1 1 14 16993 3 2 1 HEC FE FE -2.871 -2.032 -3.336 1.00 . C A . 70 HEC FE 1 1 14 16994 3 2 1 HEC HAA1 H -1.846 -6.789 -6.612 1.00 . C A . 70 HEC HAA1 1 1 14 16995 3 2 1 HEC HAA2 H -0.660 -7.567 -5.585 1.00 . C A . 70 HEC HAA2 1 1 14 16996 3 2 1 HEC HAB H -0.806 1.091 0.997 1.00 . C A . 70 HEC HAB 1 1 14 16997 3 2 1 HEC HAC H -7.387 1.637 -3.548 1.00 . C A . 70 HEC HAC 1 1 14 16998 3 2 1 HEC HAD1 H -5.411 -5.138 -7.638 1.00 . C A . 70 HEC HAD1 1 1 14 16999 3 2 1 HEC HAD2 H -6.717 -4.041 -8.020 1.00 . C A . 70 HEC HAD2 1 1 14 17000 3 2 1 HEC HBA1 H -2.444 -8.083 -3.923 1.00 . C A . 70 HEC HBA1 1 1 14 17001 3 2 1 HEC HBA2 H -3.638 -7.366 -5.014 1.00 . C A . 70 HEC HBA2 1 1 14 17002 3 2 1 HEC HBB1 H 1.940 -0.146 1.200 1.00 . C A . 70 HEC HBB1 1 1 14 17003 3 2 1 HEC HBB2 H 1.425 0.958 -0.084 1.00 . C A . 70 HEC HBB2 1 1 14 17004 3 2 1 HEC HBB3 H 1.426 1.497 1.592 1.00 . C A . 70 HEC HBB3 1 1 14 17005 3 2 1 HEC HBC1 H -5.673 4.107 -3.716 1.00 . C A . 70 HEC HBC1 1 1 14 17006 3 2 1 HEC HBC2 H -6.638 3.270 -4.973 1.00 . C A . 70 HEC HBC2 1 1 14 17007 3 2 1 HEC HBC3 H -7.445 4.184 -3.706 1.00 . C A . 70 HEC HBC3 1 1 14 17008 3 2 1 HEC HBD1 H -5.054 -2.548 -9.197 1.00 . C A . 70 HEC HBD1 1 1 14 17009 3 2 1 HEC HBD2 H -3.838 -3.810 -8.950 1.00 . C A . 70 HEC HBD2 1 1 14 17010 3 2 1 HEC HHA H -3.475 -5.204 -6.470 1.00 . C A . 70 HEC HHA 1 1 14 17011 3 2 1 HEC HHB H 0.535 -4.308 -1.524 1.00 . C A . 70 HEC HHB 1 1 14 17012 3 2 1 HEC HHC H -2.330 1.281 -0.353 1.00 . C A . 70 HEC HHC 1 1 14 17013 3 2 1 HEC HHD H -6.571 0.164 -4.895 1.00 . C A . 70 HEC HHD 1 1 14 17014 3 2 1 HEC HMA1 H 0.193 -7.509 -3.406 1.00 . C A . 70 HEC HMA1 1 1 14 17015 3 2 1 HEC HMA2 H 1.405 -6.378 -4.048 1.00 . C A . 70 HEC HMA2 1 1 14 17016 3 2 1 HEC HMA3 H 0.913 -6.300 -2.350 1.00 . C A . 70 HEC HMA3 1 1 14 17017 3 2 1 HEC HMB1 H 1.201 -2.214 1.507 1.00 . C A . 70 HEC HMB1 1 1 14 17018 3 2 1 HEC HMB2 H 0.504 -3.717 0.902 1.00 . C A . 70 HEC HMB2 1 1 14 17019 3 2 1 HEC HMB3 H 1.866 -3.000 0.060 1.00 . C A . 70 HEC HMB3 1 1 14 17020 3 2 1 HEC HMC1 H -3.134 3.344 -1.178 1.00 . C A . 70 HEC HMC1 1 1 14 17021 3 2 1 HEC HMC2 H -4.771 3.842 -1.587 1.00 . C A . 70 HEC HMC2 1 1 14 17022 3 2 1 HEC HMC3 H -4.501 2.836 -0.152 1.00 . C A . 70 HEC HMC3 1 1 14 17023 3 2 1 HEC HMD1 H -7.112 -1.669 -8.033 1.00 . C A . 70 HEC HMD1 1 1 14 17024 3 2 1 HEC HMD2 H -8.108 -2.114 -6.634 1.00 . C A . 70 HEC HMD2 1 1 14 17025 3 2 1 HEC HMD3 H -7.394 -0.496 -6.750 1.00 . C A . 70 HEC HMD3 1 1 14 17026 3 2 1 HEC NA N -1.935 -3.742 -3.808 1.00 . C A . 70 HEC NA 1 1 14 17027 3 2 1 HEC NB N -1.624 -1.707 -1.843 1.00 . C A . 70 HEC NB 1 1 14 17028 3 2 1 HEC NC N -3.874 -0.262 -2.899 1.00 . C A . 70 HEC NC 1 1 14 17029 3 2 1 HEC ND N -4.254 -2.338 -4.816 1.00 . C A . 70 HEC ND 1 1 14 17030 3 2 1 HEC O1A O -3.597 -10.085 -5.162 1.00 . C A . 70 HEC O1A 1 1 14 17031 3 2 1 HEC O1D O -4.896 -3.917 -11.450 1.00 . C A . 70 HEC O1D 1 1 14 17032 3 2 1 HEC O2A O -2.194 -9.407 -6.752 1.00 . C A . 70 HEC O2A 1 1 14 17033 3 2 1 HEC O2D O -6.246 -5.213 -10.269 1.00 . C A . 70 HEC O2D 1 1 14 17034 4 2 1 HEC C1A C 3.035 -6.037 9.393 1.00 . D A . 71 HEC C1A 1 1 14 17035 4 2 1 HEC C1B C 0.160 -9.207 9.088 1.00 . D A . 71 HEC C1B 1 1 14 17036 4 2 1 HEC C1C C -1.336 -7.451 5.503 1.00 . D A . 71 HEC C1C 1 1 14 17037 4 2 1 HEC C1D C 1.657 -4.449 5.644 1.00 . D A . 71 HEC C1D 1 1 14 17038 4 2 1 HEC C2A C 3.659 -6.515 10.607 1.00 . D A . 71 HEC C2A 1 1 14 17039 4 2 1 HEC C2B C -0.788 -10.297 9.136 1.00 . D A . 71 HEC C2B 1 1 14 17040 4 2 1 HEC C2C C -1.927 -7.068 4.248 1.00 . D A . 71 HEC C2C 1 1 14 17041 4 2 1 HEC C2D C 2.614 -3.372 5.557 1.00 . D A . 71 HEC C2D 1 1 14 17042 4 2 1 HEC C3A C 2.913 -7.572 11.059 1.00 . D A . 71 HEC C3A 1 1 14 17043 4 2 1 HEC C3B C -1.695 -10.093 8.123 1.00 . D A . 71 HEC C3B 1 1 14 17044 4 2 1 HEC C3C C -1.274 -5.935 3.826 1.00 . D A . 71 HEC C3C 1 1 14 17045 4 2 1 HEC C3D C 3.460 -3.490 6.626 1.00 . D A . 71 HEC C3D 1 1 14 17046 4 2 1 HEC C4A C 1.950 -7.887 10.026 1.00 . D A . 71 HEC C4A 1 1 14 17047 4 2 1 HEC C4B C -1.161 -9.011 7.322 1.00 . D A . 71 HEC C4B 1 1 14 17048 4 2 1 HEC C4C C -0.222 -5.689 4.800 1.00 . D A . 71 HEC C4C 1 1 14 17049 4 2 1 HEC C4D C 2.953 -4.562 7.463 1.00 . D A . 71 HEC C4D 1 1 14 17050 4 2 1 HEC CAA C 4.906 -5.960 11.262 1.00 . D A . 71 HEC CAA 1 1 14 17051 4 2 1 HEC CAB C -3.140 -10.583 8.083 1.00 . D A . 71 HEC CAB 1 1 14 17052 4 2 1 HEC CAC C -1.537 -5.171 2.533 1.00 . D A . 71 HEC CAC 1 1 14 17053 4 2 1 HEC CAD C 4.619 -2.547 6.859 1.00 . D A . 71 HEC CAD 1 1 14 17054 4 2 1 HEC CBA C 6.213 -6.183 10.469 1.00 . D A . 71 HEC CBA 1 1 14 17055 4 2 1 HEC CBB C -3.895 -10.336 9.393 1.00 . D A . 71 HEC CBB 1 1 14 17056 4 2 1 HEC CBC C -2.958 -4.625 2.371 1.00 . D A . 71 HEC CBC 1 1 14 17057 4 2 1 HEC CBD C 5.945 -3.144 7.370 1.00 . D A . 71 HEC CBD 1 1 14 17058 4 2 1 HEC CGA C 7.054 -7.395 10.916 1.00 . D A . 71 HEC CGA 1 1 14 17059 4 2 1 HEC CGD C 6.410 -2.511 8.687 1.00 . D A . 71 HEC CGD 1 1 14 17060 4 2 1 HEC CHA C 3.487 -4.941 8.679 1.00 . D A . 71 HEC CHA 1 1 14 17061 4 2 1 HEC CHB C 1.097 -8.973 10.069 1.00 . D A . 71 HEC CHB 1 1 14 17062 4 2 1 HEC CHC C -1.771 -8.539 6.191 1.00 . D A . 71 HEC CHC 1 1 14 17063 4 2 1 HEC CHD C 0.693 -4.671 4.692 1.00 . D A . 71 HEC CHD 1 1 14 17064 4 2 1 HEC CMA C 3.030 -8.190 12.436 1.00 . D A . 71 HEC CMA 1 1 14 17065 4 2 1 HEC CMB C -0.806 -11.411 10.156 1.00 . D A . 71 HEC CMB 1 1 14 17066 4 2 1 HEC CMC C -2.959 -7.888 3.501 1.00 . D A . 71 HEC CMC 1 1 14 17067 4 2 1 HEC CMD C 2.705 -2.275 4.516 1.00 . D A . 71 HEC CMD 1 1 14 17068 4 2 1 HEC FE FE 0.865 -6.798 7.464 1.00 . D A . 71 HEC FE 1 1 14 17069 4 2 1 HEC HAA1 H 4.732 -4.894 11.355 1.00 . D A . 71 HEC HAA1 1 1 14 17070 4 2 1 HEC HAA2 H 5.028 -6.351 12.272 1.00 . D A . 71 HEC HAA2 1 1 14 17071 4 2 1 HEC HAB H -3.686 -10.018 7.340 1.00 . D A . 71 HEC HAB 1 1 14 17072 4 2 1 HEC HAC H -0.903 -4.292 2.493 1.00 . D A . 71 HEC HAC 1 1 14 17073 4 2 1 HEC HAD1 H 4.869 -2.046 5.925 1.00 . D A . 71 HEC HAD1 1 1 14 17074 4 2 1 HEC HAD2 H 4.229 -1.772 7.506 1.00 . D A . 71 HEC HAD2 1 1 14 17075 4 2 1 HEC HBA1 H 5.962 -6.274 9.412 1.00 . D A . 71 HEC HBA1 1 1 14 17076 4 2 1 HEC HBA2 H 6.836 -5.297 10.594 1.00 . D A . 71 HEC HBA2 1 1 14 17077 4 2 1 HEC HBB1 H -3.817 -9.285 9.670 1.00 . D A . 71 HEC HBB1 1 1 14 17078 4 2 1 HEC HBB2 H -4.947 -10.589 9.259 1.00 . D A . 71 HEC HBB2 1 1 14 17079 4 2 1 HEC HBB3 H -3.491 -10.951 10.196 1.00 . D A . 71 HEC HBB3 1 1 14 17080 4 2 1 HEC HBC1 H -3.709 -5.408 2.434 1.00 . D A . 71 HEC HBC1 1 1 14 17081 4 2 1 HEC HBC2 H -3.143 -3.889 3.146 1.00 . D A . 71 HEC HBC2 1 1 14 17082 4 2 1 HEC HBC3 H -3.046 -4.131 1.400 1.00 . D A . 71 HEC HBC3 1 1 14 17083 4 2 1 HEC HBD1 H 5.858 -4.223 7.483 1.00 . D A . 71 HEC HBD1 1 1 14 17084 4 2 1 HEC HBD2 H 6.708 -2.956 6.615 1.00 . D A . 71 HEC HBD2 1 1 14 17085 4 2 1 HEC HHA H 4.312 -4.378 9.076 1.00 . D A . 71 HEC HHA 1 1 14 17086 4 2 1 HEC HHB H 1.136 -9.654 10.895 1.00 . D A . 71 HEC HHB 1 1 14 17087 4 2 1 HEC HHC H -2.617 -9.042 5.797 1.00 . D A . 71 HEC HHC 1 1 14 17088 4 2 1 HEC HHD H 0.676 -4.048 3.819 1.00 . D A . 71 HEC HHD 1 1 14 17089 4 2 1 HEC HMA1 H 2.724 -7.441 13.167 1.00 . D A . 71 HEC HMA1 1 1 14 17090 4 2 1 HEC HMA2 H 2.400 -9.065 12.559 1.00 . D A . 71 HEC HMA2 1 1 14 17091 4 2 1 HEC HMA3 H 4.065 -8.453 12.634 1.00 . D A . 71 HEC HMA3 1 1 14 17092 4 2 1 HEC HMB1 H -1.490 -12.197 9.836 1.00 . D A . 71 HEC HMB1 1 1 14 17093 4 2 1 HEC HMB2 H 0.191 -11.841 10.235 1.00 . D A . 71 HEC HMB2 1 1 14 17094 4 2 1 HEC HMB3 H -1.120 -11.024 11.123 1.00 . D A . 71 HEC HMB3 1 1 14 17095 4 2 1 HEC HMC1 H -3.909 -7.859 4.032 1.00 . D A . 71 HEC HMC1 1 1 14 17096 4 2 1 HEC HMC2 H -3.094 -7.529 2.485 1.00 . D A . 71 HEC HMC2 1 1 14 17097 4 2 1 HEC HMC3 H -2.610 -8.919 3.448 1.00 . D A . 71 HEC HMC3 1 1 14 17098 4 2 1 HEC HMD1 H 2.853 -1.321 5.018 1.00 . D A . 71 HEC HMD1 1 1 14 17099 4 2 1 HEC HMD2 H 3.570 -2.443 3.880 1.00 . D A . 71 HEC HMD2 1 1 14 17100 4 2 1 HEC HMD3 H 1.806 -2.198 3.910 1.00 . D A . 71 HEC HMD3 1 1 14 17101 4 2 1 HEC NA N 2.036 -6.918 9.070 1.00 . D A . 71 HEC NA 1 1 14 17102 4 2 1 HEC NB N -0.091 -8.483 7.970 1.00 . D A . 71 HEC NB 1 1 14 17103 4 2 1 HEC NC N -0.321 -6.631 5.791 1.00 . D A . 71 HEC NC 1 1 14 17104 4 2 1 HEC ND N 1.893 -5.131 6.811 1.00 . D A . 71 HEC ND 1 1 14 17105 4 2 1 HEC O1A O 7.100 -7.650 12.139 1.00 . D A . 71 HEC O1A 1 1 14 17106 4 2 1 HEC O1D O 5.656 -1.688 9.252 1.00 . D A . 71 HEC O1D 1 1 14 17107 4 2 1 HEC O2A O 7.622 -8.089 10.035 1.00 . D A . 71 HEC O2A 1 1 14 17108 4 2 1 HEC O2D O 7.493 -2.855 9.209 1.00 . D A . 71 HEC O2D 1 1 15 17109 1 1 1 ALA C C 9.783 3.016 -8.358 1.00 . A A . 1 ALA C 1 1 15 17110 1 1 1 ALA CA C 11.225 3.051 -7.847 1.00 . A A . 1 ALA CA 1 1 15 17111 1 1 1 ALA CB C 12.260 2.549 -8.866 1.00 . A A . 1 ALA CB 1 1 15 17112 1 1 1 ALA H1 H 11.013 1.321 -6.746 1.00 . A A . 1 ALA H1 1 1 15 17113 1 1 1 ALA H2 H 12.233 2.302 -6.209 1.00 . A A . 1 ALA H2 1 1 15 17114 1 1 1 ALA H3 H 10.645 2.689 -5.936 1.00 . A A . 1 ALA H3 1 1 15 17115 1 1 1 ALA HA H 11.465 4.092 -7.624 1.00 . A A . 1 ALA HA 1 1 15 17116 1 1 1 ALA HB1 H 12.126 1.485 -9.067 1.00 . A A . 1 ALA HB1 1 1 15 17117 1 1 1 ALA HB2 H 12.167 3.107 -9.799 1.00 . A A . 1 ALA HB2 1 1 15 17118 1 1 1 ALA HB3 H 13.266 2.703 -8.473 1.00 . A A . 1 ALA HB3 1 1 15 17119 1 1 1 ALA N N 11.300 2.287 -6.591 1.00 . A A . 1 ALA N 1 1 15 17120 1 1 1 ALA O O 8.901 3.565 -7.701 1.00 . A A . 1 ALA O 1 1 15 17121 1 1 2 ASP C C 7.683 0.789 -9.081 1.00 . A A . 2 ASP C 1 1 15 17122 1 1 2 ASP CA C 8.263 1.883 -9.970 1.00 . A A . 2 ASP CA 1 1 15 17123 1 1 2 ASP CB C 8.466 1.360 -11.403 1.00 . A A . 2 ASP CB 1 1 15 17124 1 1 2 ASP CG C 9.521 0.258 -11.521 1.00 . A A . 2 ASP CG 1 1 15 17125 1 1 2 ASP H H 10.284 1.822 -9.945 1.00 . A A . 2 ASP H 1 1 15 17126 1 1 2 ASP HA H 7.578 2.726 -9.924 1.00 . A A . 2 ASP HA 1 1 15 17127 1 1 2 ASP HB2 H 7.535 0.928 -11.764 1.00 . A A . 2 ASP HB2 1 1 15 17128 1 1 2 ASP HB3 H 8.757 2.181 -12.056 1.00 . A A . 2 ASP HB3 1 1 15 17129 1 1 2 ASP N N 9.543 2.333 -9.475 1.00 . A A . 2 ASP N 1 1 15 17130 1 1 2 ASP O O 6.473 0.761 -8.877 1.00 . A A . 2 ASP O 1 1 15 17131 1 1 2 ASP OD1 O 10.332 0.138 -10.570 1.00 . A A . 2 ASP OD1 1 1 15 17132 1 1 2 ASP OD2 O 9.515 -0.409 -12.573 1.00 . A A . 2 ASP OD2 1 1 15 17133 1 1 3 VAL C C 9.090 -0.650 -6.227 1.00 . A A . 3 VAL C 1 1 15 17134 1 1 3 VAL CA C 8.194 -0.968 -7.428 1.00 . A A . 3 VAL CA 1 1 15 17135 1 1 3 VAL CB C 8.256 -2.432 -7.908 1.00 . A A . 3 VAL CB 1 1 15 17136 1 1 3 VAL CG1 C 9.626 -2.813 -8.484 1.00 . A A . 3 VAL CG1 1 1 15 17137 1 1 3 VAL CG2 C 7.872 -3.426 -6.804 1.00 . A A . 3 VAL CG2 1 1 15 17138 1 1 3 VAL H H 9.472 -0.093 -8.930 1.00 . A A . 3 VAL H 1 1 15 17139 1 1 3 VAL HA H 7.174 -0.768 -7.105 1.00 . A A . 3 VAL HA 1 1 15 17140 1 1 3 VAL HB H 7.519 -2.541 -8.706 1.00 . A A . 3 VAL HB 1 1 15 17141 1 1 3 VAL HG11 H 9.611 -3.859 -8.789 1.00 . A A . 3 VAL HG11 1 1 15 17142 1 1 3 VAL HG12 H 9.852 -2.209 -9.362 1.00 . A A . 3 VAL HG12 1 1 15 17143 1 1 3 VAL HG13 H 10.407 -2.671 -7.738 1.00 . A A . 3 VAL HG13 1 1 15 17144 1 1 3 VAL HG21 H 7.769 -4.422 -7.233 1.00 . A A . 3 VAL HG21 1 1 15 17145 1 1 3 VAL HG22 H 8.640 -3.457 -6.032 1.00 . A A . 3 VAL HG22 1 1 15 17146 1 1 3 VAL HG23 H 6.919 -3.144 -6.358 1.00 . A A . 3 VAL HG23 1 1 15 17147 1 1 3 VAL N N 8.534 -0.072 -8.528 1.00 . A A . 3 VAL N 1 1 15 17148 1 1 3 VAL O O 10.194 -0.124 -6.404 1.00 . A A . 3 VAL O 1 1 15 17149 1 1 4 VAL C C 9.103 -2.164 -3.037 1.00 . A A . 4 VAL C 1 1 15 17150 1 1 4 VAL CA C 9.390 -0.859 -3.776 1.00 . A A . 4 VAL CA 1 1 15 17151 1 1 4 VAL CB C 8.975 0.374 -2.947 1.00 . A A . 4 VAL CB 1 1 15 17152 1 1 4 VAL CG1 C 9.556 0.393 -1.521 1.00 . A A . 4 VAL CG1 1 1 15 17153 1 1 4 VAL CG2 C 9.426 1.659 -3.640 1.00 . A A . 4 VAL CG2 1 1 15 17154 1 1 4 VAL H H 7.677 -1.313 -4.889 1.00 . A A . 4 VAL H 1 1 15 17155 1 1 4 VAL HA H 10.459 -0.815 -3.980 1.00 . A A . 4 VAL HA 1 1 15 17156 1 1 4 VAL HB H 7.888 0.389 -2.880 1.00 . A A . 4 VAL HB 1 1 15 17157 1 1 4 VAL HG11 H 10.634 0.240 -1.549 1.00 . A A . 4 VAL HG11 1 1 15 17158 1 1 4 VAL HG12 H 9.352 1.351 -1.044 1.00 . A A . 4 VAL HG12 1 1 15 17159 1 1 4 VAL HG13 H 9.098 -0.382 -0.905 1.00 . A A . 4 VAL HG13 1 1 15 17160 1 1 4 VAL HG21 H 9.120 2.516 -3.041 1.00 . A A . 4 VAL HG21 1 1 15 17161 1 1 4 VAL HG22 H 10.512 1.654 -3.733 1.00 . A A . 4 VAL HG22 1 1 15 17162 1 1 4 VAL HG23 H 8.964 1.738 -4.623 1.00 . A A . 4 VAL HG23 1 1 15 17163 1 1 4 VAL N N 8.608 -0.907 -5.006 1.00 . A A . 4 VAL N 1 1 15 17164 1 1 4 VAL O O 8.178 -2.892 -3.398 1.00 . A A . 4 VAL O 1 1 15 17165 1 1 5 THR C C 9.676 -2.749 0.439 1.00 . A A . 5 THR C 1 1 15 17166 1 1 5 THR CA C 9.324 -3.293 -0.934 1.00 . A A . 5 THR CA 1 1 15 17167 1 1 5 THR CB C 9.790 -4.744 -1.123 1.00 . A A . 5 THR CB 1 1 15 17168 1 1 5 THR CG2 C 11.304 -4.926 -0.971 1.00 . A A . 5 THR CG2 1 1 15 17169 1 1 5 THR H H 10.633 -1.865 -1.705 1.00 . A A . 5 THR H 1 1 15 17170 1 1 5 THR HA H 8.241 -3.200 -1.004 1.00 . A A . 5 THR HA 1 1 15 17171 1 1 5 THR HB H 9.508 -5.064 -2.124 1.00 . A A . 5 THR HB 1 1 15 17172 1 1 5 THR HG1 H 8.271 -5.163 -0.031 1.00 . A A . 5 THR HG1 1 1 15 17173 1 1 5 THR HG21 H 11.559 -5.971 -1.150 1.00 . A A . 5 THR HG21 1 1 15 17174 1 1 5 THR HG22 H 11.832 -4.306 -1.694 1.00 . A A . 5 THR HG22 1 1 15 17175 1 1 5 THR HG23 H 11.626 -4.655 0.035 1.00 . A A . 5 THR HG23 1 1 15 17176 1 1 5 THR N N 9.858 -2.454 -1.977 1.00 . A A . 5 THR N 1 1 15 17177 1 1 5 THR O O 10.707 -2.104 0.600 1.00 . A A . 5 THR O 1 1 15 17178 1 1 5 THR OG1 O 9.134 -5.562 -0.184 1.00 . A A . 5 THR OG1 1 1 15 17179 1 1 6 TYR C C 9.626 -4.456 3.165 1.00 . A A . 6 TYR C 1 1 15 17180 1 1 6 TYR CA C 9.145 -3.045 2.816 1.00 . A A . 6 TYR CA 1 1 15 17181 1 1 6 TYR CB C 7.941 -2.638 3.670 1.00 . A A . 6 TYR CB 1 1 15 17182 1 1 6 TYR CD1 C 8.001 -0.133 3.278 1.00 . A A . 6 TYR CD1 1 1 15 17183 1 1 6 TYR CD2 C 5.954 -1.353 2.793 1.00 . A A . 6 TYR CD2 1 1 15 17184 1 1 6 TYR CE1 C 7.388 1.056 2.849 1.00 . A A . 6 TYR CE1 1 1 15 17185 1 1 6 TYR CE2 C 5.325 -0.157 2.420 1.00 . A A . 6 TYR CE2 1 1 15 17186 1 1 6 TYR CG C 7.279 -1.340 3.261 1.00 . A A . 6 TYR CG 1 1 15 17187 1 1 6 TYR CZ C 6.034 1.054 2.483 1.00 . A A . 6 TYR CZ 1 1 15 17188 1 1 6 TYR H H 7.930 -3.462 1.128 1.00 . A A . 6 TYR H 1 1 15 17189 1 1 6 TYR HA H 9.937 -2.331 3.010 1.00 . A A . 6 TYR HA 1 1 15 17190 1 1 6 TYR HB2 H 7.200 -3.433 3.631 1.00 . A A . 6 TYR HB2 1 1 15 17191 1 1 6 TYR HB3 H 8.278 -2.538 4.701 1.00 . A A . 6 TYR HB3 1 1 15 17192 1 1 6 TYR HD1 H 9.041 -0.122 3.572 1.00 . A A . 6 TYR HD1 1 1 15 17193 1 1 6 TYR HD2 H 5.446 -2.290 2.641 1.00 . A A . 6 TYR HD2 1 1 15 17194 1 1 6 TYR HE1 H 7.978 1.954 2.730 1.00 . A A . 6 TYR HE1 1 1 15 17195 1 1 6 TYR HE2 H 4.353 -0.196 1.953 1.00 . A A . 6 TYR HE2 1 1 15 17196 1 1 6 TYR HH H 4.647 1.993 1.543 1.00 . A A . 6 TYR HH 1 1 15 17197 1 1 6 TYR N N 8.798 -3.028 1.405 1.00 . A A . 6 TYR N 1 1 15 17198 1 1 6 TYR O O 8.817 -5.390 3.196 1.00 . A A . 6 TYR O 1 1 15 17199 1 1 6 TYR OH O 5.463 2.191 2.005 1.00 . A A . 6 TYR OH 1 1 15 17200 1 1 7 GLU C C 11.327 -6.340 5.138 1.00 . A A . 7 GLU C 1 1 15 17201 1 1 7 GLU CA C 11.539 -5.920 3.681 1.00 . A A . 7 GLU CA 1 1 15 17202 1 1 7 GLU CB C 13.002 -5.987 3.242 1.00 . A A . 7 GLU CB 1 1 15 17203 1 1 7 GLU CD C 13.819 -3.602 2.873 1.00 . A A . 7 GLU CD 1 1 15 17204 1 1 7 GLU CG C 13.917 -4.852 3.734 1.00 . A A . 7 GLU CG 1 1 15 17205 1 1 7 GLU H H 11.551 -3.825 3.302 1.00 . A A . 7 GLU H 1 1 15 17206 1 1 7 GLU HA H 11.030 -6.650 3.057 1.00 . A A . 7 GLU HA 1 1 15 17207 1 1 7 GLU HB2 H 13.364 -6.939 3.627 1.00 . A A . 7 GLU HB2 1 1 15 17208 1 1 7 GLU HB3 H 13.033 -6.020 2.154 1.00 . A A . 7 GLU HB3 1 1 15 17209 1 1 7 GLU HG2 H 13.692 -4.591 4.768 1.00 . A A . 7 GLU HG2 1 1 15 17210 1 1 7 GLU HG3 H 14.950 -5.196 3.687 1.00 . A A . 7 GLU HG3 1 1 15 17211 1 1 7 GLU N N 10.930 -4.631 3.386 1.00 . A A . 7 GLU N 1 1 15 17212 1 1 7 GLU O O 12.214 -6.285 5.988 1.00 . A A . 7 GLU O 1 1 15 17213 1 1 7 GLU OE1 O 12.895 -2.807 3.154 1.00 . A A . 7 GLU OE1 1 1 15 17214 1 1 7 GLU OE2 O 14.646 -3.483 1.944 1.00 . A A . 7 GLU OE2 1 1 15 17215 1 1 8 ASN C C 9.895 -8.536 7.110 1.00 . A A . 8 ASN C 1 1 15 17216 1 1 8 ASN CA C 9.628 -7.090 6.751 1.00 . A A . 8 ASN CA 1 1 15 17217 1 1 8 ASN CB C 8.121 -6.863 6.860 1.00 . A A . 8 ASN CB 1 1 15 17218 1 1 8 ASN CG C 7.698 -5.575 6.186 1.00 . A A . 8 ASN CG 1 1 15 17219 1 1 8 ASN H H 9.500 -6.843 4.616 1.00 . A A . 8 ASN H 1 1 15 17220 1 1 8 ASN HA H 10.129 -6.423 7.457 1.00 . A A . 8 ASN HA 1 1 15 17221 1 1 8 ASN HB2 H 7.597 -7.699 6.397 1.00 . A A . 8 ASN HB2 1 1 15 17222 1 1 8 ASN HB3 H 7.837 -6.819 7.912 1.00 . A A . 8 ASN HB3 1 1 15 17223 1 1 8 ASN HD21 H 6.322 -6.568 5.076 1.00 . A A . 8 ASN HD21 1 1 15 17224 1 1 8 ASN HD22 H 6.426 -4.829 4.837 1.00 . A A . 8 ASN HD22 1 1 15 17225 1 1 8 ASN N N 10.115 -6.808 5.409 1.00 . A A . 8 ASN N 1 1 15 17226 1 1 8 ASN ND2 N 6.691 -5.665 5.328 1.00 . A A . 8 ASN ND2 1 1 15 17227 1 1 8 ASN O O 9.794 -9.420 6.257 1.00 . A A . 8 ASN O 1 1 15 17228 1 1 8 ASN OD1 O 8.295 -4.530 6.402 1.00 . A A . 8 ASN OD1 1 1 15 17229 1 1 9 LYS C C 9.111 -11.024 8.715 1.00 . A A . 9 LYS C 1 1 15 17230 1 1 9 LYS CA C 10.346 -10.130 8.918 1.00 . A A . 9 LYS CA 1 1 15 17231 1 1 9 LYS CB C 10.715 -10.028 10.410 1.00 . A A . 9 LYS CB 1 1 15 17232 1 1 9 LYS CD C 13.144 -10.830 10.555 1.00 . A A . 9 LYS CD 1 1 15 17233 1 1 9 LYS CE C 13.737 -9.769 11.503 1.00 . A A . 9 LYS CE 1 1 15 17234 1 1 9 LYS CG C 11.671 -11.136 10.878 1.00 . A A . 9 LYS CG 1 1 15 17235 1 1 9 LYS H H 10.085 -8.012 9.050 1.00 . A A . 9 LYS H 1 1 15 17236 1 1 9 LYS HA H 11.172 -10.522 8.323 1.00 . A A . 9 LYS HA 1 1 15 17237 1 1 9 LYS HB2 H 11.165 -9.057 10.617 1.00 . A A . 9 LYS HB2 1 1 15 17238 1 1 9 LYS HB3 H 9.798 -10.088 10.997 1.00 . A A . 9 LYS HB3 1 1 15 17239 1 1 9 LYS HD2 H 13.705 -11.760 10.670 1.00 . A A . 9 LYS HD2 1 1 15 17240 1 1 9 LYS HD3 H 13.223 -10.504 9.516 1.00 . A A . 9 LYS HD3 1 1 15 17241 1 1 9 LYS HE2 H 13.203 -8.823 11.394 1.00 . A A . 9 LYS HE2 1 1 15 17242 1 1 9 LYS HE3 H 13.626 -10.106 12.536 1.00 . A A . 9 LYS HE3 1 1 15 17243 1 1 9 LYS HG2 H 11.564 -11.266 11.957 1.00 . A A . 9 LYS HG2 1 1 15 17244 1 1 9 LYS HG3 H 11.384 -12.074 10.400 1.00 . A A . 9 LYS HG3 1 1 15 17245 1 1 9 LYS HZ1 H 15.512 -8.811 11.881 1.00 . A A . 9 LYS HZ1 1 1 15 17246 1 1 9 LYS HZ2 H 15.710 -10.358 11.369 1.00 . A A . 9 LYS HZ2 1 1 15 17247 1 1 9 LYS HZ3 H 15.299 -9.177 10.295 1.00 . A A . 9 LYS HZ3 1 1 15 17248 1 1 9 LYS N N 10.110 -8.789 8.402 1.00 . A A . 9 LYS N 1 1 15 17249 1 1 9 LYS NZ N 15.170 -9.515 11.240 1.00 . A A . 9 LYS NZ 1 1 15 17250 1 1 9 LYS O O 9.208 -12.254 8.654 1.00 . A A . 9 LYS O 1 1 15 17251 1 1 10 LYS C C 6.594 -11.570 6.972 1.00 . A A . 10 LYS C 1 1 15 17252 1 1 10 LYS CA C 6.651 -11.003 8.382 1.00 . A A . 10 LYS CA 1 1 15 17253 1 1 10 LYS CB C 5.547 -9.950 8.450 1.00 . A A . 10 LYS CB 1 1 15 17254 1 1 10 LYS CD C 5.212 -9.950 10.984 1.00 . A A . 10 LYS CD 1 1 15 17255 1 1 10 LYS CE C 6.434 -10.257 11.866 1.00 . A A . 10 LYS CE 1 1 15 17256 1 1 10 LYS CG C 5.521 -9.126 9.726 1.00 . A A . 10 LYS CG 1 1 15 17257 1 1 10 LYS H H 7.968 -9.379 8.713 1.00 . A A . 10 LYS H 1 1 15 17258 1 1 10 LYS HA H 6.457 -11.798 9.102 1.00 . A A . 10 LYS HA 1 1 15 17259 1 1 10 LYS HB2 H 5.701 -9.246 7.633 1.00 . A A . 10 LYS HB2 1 1 15 17260 1 1 10 LYS HB3 H 4.575 -10.429 8.306 1.00 . A A . 10 LYS HB3 1 1 15 17261 1 1 10 LYS HD2 H 4.471 -9.418 11.577 1.00 . A A . 10 LYS HD2 1 1 15 17262 1 1 10 LYS HD3 H 4.747 -10.890 10.679 1.00 . A A . 10 LYS HD3 1 1 15 17263 1 1 10 LYS HE2 H 6.105 -10.980 12.615 1.00 . A A . 10 LYS HE2 1 1 15 17264 1 1 10 LYS HE3 H 7.219 -10.718 11.267 1.00 . A A . 10 LYS HE3 1 1 15 17265 1 1 10 LYS HG2 H 6.464 -8.596 9.808 1.00 . A A . 10 LYS HG2 1 1 15 17266 1 1 10 LYS HG3 H 4.721 -8.403 9.555 1.00 . A A . 10 LYS HG3 1 1 15 17267 1 1 10 LYS HZ1 H 6.267 -8.627 13.140 1.00 . A A . 10 LYS HZ1 1 1 15 17268 1 1 10 LYS HZ2 H 7.724 -9.347 13.207 1.00 . A A . 10 LYS HZ2 1 1 15 17269 1 1 10 LYS HZ3 H 7.384 -8.352 11.991 1.00 . A A . 10 LYS HZ3 1 1 15 17270 1 1 10 LYS N N 7.940 -10.384 8.651 1.00 . A A . 10 LYS N 1 1 15 17271 1 1 10 LYS NZ N 6.976 -9.080 12.587 1.00 . A A . 10 LYS NZ 1 1 15 17272 1 1 10 LYS O O 5.884 -12.536 6.734 1.00 . A A . 10 LYS O 1 1 15 17273 1 1 11 GLY C C 7.231 -9.816 3.916 1.00 . A A . 11 GLY C 1 1 15 17274 1 1 11 GLY CA C 7.126 -11.162 4.613 1.00 . A A . 11 GLY CA 1 1 15 17275 1 1 11 GLY H H 7.819 -10.102 6.302 1.00 . A A . 11 GLY H 1 1 15 17276 1 1 11 GLY HA2 H 7.923 -11.834 4.294 1.00 . A A . 11 GLY HA2 1 1 15 17277 1 1 11 GLY HA3 H 6.164 -11.614 4.372 1.00 . A A . 11 GLY HA3 1 1 15 17278 1 1 11 GLY N N 7.265 -10.908 6.033 1.00 . A A . 11 GLY N 1 1 15 17279 1 1 11 GLY O O 6.556 -8.859 4.319 1.00 . A A . 11 GLY O 1 1 15 17280 1 1 12 ASN C C 7.360 -8.052 1.384 1.00 . A A . 12 ASN C 1 1 15 17281 1 1 12 ASN CA C 8.512 -8.511 2.268 1.00 . A A . 12 ASN CA 1 1 15 17282 1 1 12 ASN CB C 9.784 -8.698 1.427 1.00 . A A . 12 ASN CB 1 1 15 17283 1 1 12 ASN CG C 11.027 -9.174 2.183 1.00 . A A . 12 ASN CG 1 1 15 17284 1 1 12 ASN H H 8.598 -10.592 2.644 1.00 . A A . 12 ASN H 1 1 15 17285 1 1 12 ASN HA H 8.696 -7.764 3.035 1.00 . A A . 12 ASN HA 1 1 15 17286 1 1 12 ASN HB2 H 9.571 -9.406 0.628 1.00 . A A . 12 ASN HB2 1 1 15 17287 1 1 12 ASN HB3 H 10.034 -7.743 0.965 1.00 . A A . 12 ASN HB3 1 1 15 17288 1 1 12 ASN HD21 H 10.160 -9.057 4.050 1.00 . A A . 12 ASN HD21 1 1 15 17289 1 1 12 ASN HD22 H 11.828 -9.568 3.983 1.00 . A A . 12 ASN HD22 1 1 15 17290 1 1 12 ASN N N 8.130 -9.745 2.932 1.00 . A A . 12 ASN N 1 1 15 17291 1 1 12 ASN ND2 N 10.991 -9.264 3.512 1.00 . A A . 12 ASN ND2 1 1 15 17292 1 1 12 ASN O O 6.942 -8.780 0.487 1.00 . A A . 12 ASN O 1 1 15 17293 1 1 12 ASN OD1 O 12.044 -9.469 1.568 1.00 . A A . 12 ASN OD1 1 1 15 17294 1 1 13 VAL C C 6.019 -5.753 -0.331 1.00 . A A . 13 VAL C 1 1 15 17295 1 1 13 VAL CA C 5.613 -6.400 0.989 1.00 . A A . 13 VAL CA 1 1 15 17296 1 1 13 VAL CB C 4.857 -5.434 1.911 1.00 . A A . 13 VAL CB 1 1 15 17297 1 1 13 VAL CG1 C 3.694 -4.776 1.166 1.00 . A A . 13 VAL CG1 1 1 15 17298 1 1 13 VAL CG2 C 4.310 -6.197 3.121 1.00 . A A . 13 VAL CG2 1 1 15 17299 1 1 13 VAL H H 7.294 -6.272 2.330 1.00 . A A . 13 VAL H 1 1 15 17300 1 1 13 VAL HA H 4.952 -7.243 0.783 1.00 . A A . 13 VAL HA 1 1 15 17301 1 1 13 VAL HB H 5.537 -4.659 2.264 1.00 . A A . 13 VAL HB 1 1 15 17302 1 1 13 VAL HG11 H 4.075 -3.999 0.505 1.00 . A A . 13 VAL HG11 1 1 15 17303 1 1 13 VAL HG12 H 3.155 -5.520 0.579 1.00 . A A . 13 VAL HG12 1 1 15 17304 1 1 13 VAL HG13 H 3.006 -4.322 1.876 1.00 . A A . 13 VAL HG13 1 1 15 17305 1 1 13 VAL HG21 H 5.102 -6.781 3.576 1.00 . A A . 13 VAL HG21 1 1 15 17306 1 1 13 VAL HG22 H 3.926 -5.492 3.856 1.00 . A A . 13 VAL HG22 1 1 15 17307 1 1 13 VAL HG23 H 3.515 -6.875 2.815 1.00 . A A . 13 VAL HG23 1 1 15 17308 1 1 13 VAL N N 6.820 -6.868 1.657 1.00 . A A . 13 VAL N 1 1 15 17309 1 1 13 VAL O O 6.516 -4.628 -0.322 1.00 . A A . 13 VAL O 1 1 15 17310 1 1 14 THR C C 5.343 -5.063 -3.429 1.00 . A A . 14 THR C 1 1 15 17311 1 1 14 THR CA C 6.327 -6.031 -2.764 1.00 . A A . 14 THR CA 1 1 15 17312 1 1 14 THR CB C 6.646 -7.264 -3.636 1.00 . A A . 14 THR CB 1 1 15 17313 1 1 14 THR CG2 C 5.467 -8.225 -3.850 1.00 . A A . 14 THR CG2 1 1 15 17314 1 1 14 THR H H 5.447 -7.383 -1.362 1.00 . A A . 14 THR H 1 1 15 17315 1 1 14 THR HA H 7.263 -5.487 -2.642 1.00 . A A . 14 THR HA 1 1 15 17316 1 1 14 THR HB H 7.447 -7.823 -3.148 1.00 . A A . 14 THR HB 1 1 15 17317 1 1 14 THR HG1 H 6.416 -6.324 -5.310 1.00 . A A . 14 THR HG1 1 1 15 17318 1 1 14 THR HG21 H 4.672 -7.757 -4.431 1.00 . A A . 14 THR HG21 1 1 15 17319 1 1 14 THR HG22 H 5.817 -9.100 -4.396 1.00 . A A . 14 THR HG22 1 1 15 17320 1 1 14 THR HG23 H 5.055 -8.552 -2.901 1.00 . A A . 14 THR HG23 1 1 15 17321 1 1 14 THR N N 5.853 -6.462 -1.449 1.00 . A A . 14 THR N 1 1 15 17322 1 1 14 THR O O 4.885 -5.314 -4.541 1.00 . A A . 14 THR O 1 1 15 17323 1 1 14 THR OG1 O 7.115 -6.856 -4.904 1.00 . A A . 14 THR OG1 1 1 15 17324 1 1 15 PHE C C 4.601 -2.325 -4.571 1.00 . A A . 15 PHE C 1 1 15 17325 1 1 15 PHE CA C 4.038 -3.022 -3.328 1.00 . A A . 15 PHE CA 1 1 15 17326 1 1 15 PHE CB C 3.515 -2.021 -2.288 1.00 . A A . 15 PHE CB 1 1 15 17327 1 1 15 PHE CD1 C 5.477 -1.328 -0.865 1.00 . A A . 15 PHE CD1 1 1 15 17328 1 1 15 PHE CD2 C 4.398 0.345 -2.272 1.00 . A A . 15 PHE CD2 1 1 15 17329 1 1 15 PHE CE1 C 6.398 -0.368 -0.434 1.00 . A A . 15 PHE CE1 1 1 15 17330 1 1 15 PHE CE2 C 5.274 1.324 -1.778 1.00 . A A . 15 PHE CE2 1 1 15 17331 1 1 15 PHE CG C 4.495 -0.980 -1.807 1.00 . A A . 15 PHE CG 1 1 15 17332 1 1 15 PHE CZ C 6.268 0.962 -0.857 1.00 . A A . 15 PHE CZ 1 1 15 17333 1 1 15 PHE H H 5.486 -3.748 -1.899 1.00 . A A . 15 PHE H 1 1 15 17334 1 1 15 PHE HA H 3.167 -3.610 -3.628 1.00 . A A . 15 PHE HA 1 1 15 17335 1 1 15 PHE HB2 H 2.664 -1.497 -2.724 1.00 . A A . 15 PHE HB2 1 1 15 17336 1 1 15 PHE HB3 H 3.164 -2.560 -1.415 1.00 . A A . 15 PHE HB3 1 1 15 17337 1 1 15 PHE HD1 H 5.526 -2.322 -0.452 1.00 . A A . 15 PHE HD1 1 1 15 17338 1 1 15 PHE HD2 H 3.670 0.613 -3.025 1.00 . A A . 15 PHE HD2 1 1 15 17339 1 1 15 PHE HE1 H 7.161 -0.636 0.282 1.00 . A A . 15 PHE HE1 1 1 15 17340 1 1 15 PHE HE2 H 5.207 2.343 -2.134 1.00 . A A . 15 PHE HE2 1 1 15 17341 1 1 15 PHE HZ H 6.971 1.685 -0.501 1.00 . A A . 15 PHE HZ 1 1 15 17342 1 1 15 PHE N N 5.003 -3.957 -2.763 1.00 . A A . 15 PHE N 1 1 15 17343 1 1 15 PHE O O 5.652 -1.678 -4.528 1.00 . A A . 15 PHE O 1 1 15 17344 1 1 16 ASP C C 3.772 -0.110 -6.375 1.00 . A A . 16 ASP C 1 1 15 17345 1 1 16 ASP CA C 4.090 -1.539 -6.805 1.00 . A A . 16 ASP CA 1 1 15 17346 1 1 16 ASP CB C 3.245 -1.924 -8.019 1.00 . A A . 16 ASP CB 1 1 15 17347 1 1 16 ASP CG C 3.905 -3.013 -8.848 1.00 . A A . 16 ASP CG 1 1 15 17348 1 1 16 ASP H H 3.069 -3.038 -5.712 1.00 . A A . 16 ASP H 1 1 15 17349 1 1 16 ASP HA H 5.137 -1.597 -7.098 1.00 . A A . 16 ASP HA 1 1 15 17350 1 1 16 ASP HB2 H 2.239 -2.222 -7.725 1.00 . A A . 16 ASP HB2 1 1 15 17351 1 1 16 ASP HB3 H 3.188 -1.048 -8.661 1.00 . A A . 16 ASP HB3 1 1 15 17352 1 1 16 ASP N N 3.871 -2.429 -5.684 1.00 . A A . 16 ASP N 1 1 15 17353 1 1 16 ASP O O 2.950 0.131 -5.492 1.00 . A A . 16 ASP O 1 1 15 17354 1 1 16 ASP OD1 O 3.751 -4.192 -8.466 1.00 . A A . 16 ASP OD1 1 1 15 17355 1 1 16 ASP OD2 O 4.554 -2.632 -9.846 1.00 . A A . 16 ASP OD2 1 1 15 17356 1 1 17 HIS C C 3.799 2.902 -8.058 1.00 . A A . 17 HIS C 1 1 15 17357 1 1 17 HIS CA C 4.359 2.254 -6.790 1.00 . A A . 17 HIS CA 1 1 15 17358 1 1 17 HIS CB C 5.778 2.732 -6.443 1.00 . A A . 17 HIS CB 1 1 15 17359 1 1 17 HIS CD2 C 5.054 4.872 -5.238 1.00 . A A . 17 HIS CD2 1 1 15 17360 1 1 17 HIS CE1 C 6.549 6.255 -6.046 1.00 . A A . 17 HIS CE1 1 1 15 17361 1 1 17 HIS CG C 5.880 4.178 -6.077 1.00 . A A . 17 HIS CG 1 1 15 17362 1 1 17 HIS H H 5.083 0.520 -7.752 1.00 . A A . 17 HIS H 1 1 15 17363 1 1 17 HIS HA H 3.690 2.463 -5.954 1.00 . A A . 17 HIS HA 1 1 15 17364 1 1 17 HIS HB2 H 6.175 2.138 -5.624 1.00 . A A . 17 HIS HB2 1 1 15 17365 1 1 17 HIS HB3 H 6.442 2.582 -7.288 1.00 . A A . 17 HIS HB3 1 1 15 17366 1 1 17 HIS HD1 H 7.597 4.796 -7.173 1.00 . A A . 17 HIS HD1 1 1 15 17367 1 1 17 HIS HD2 H 4.211 4.476 -4.695 1.00 . A A . 17 HIS HD2 1 1 15 17368 1 1 17 HIS HE1 H 7.100 7.156 -6.258 1.00 . A A . 17 HIS HE1 1 1 15 17369 1 1 17 HIS N N 4.441 0.830 -7.031 1.00 . A A . 17 HIS N 1 1 15 17370 1 1 17 HIS ND1 N 6.826 5.047 -6.563 1.00 . A A . 17 HIS ND1 1 1 15 17371 1 1 17 HIS NE2 N 5.484 6.198 -5.231 1.00 . A A . 17 HIS NE2 1 1 15 17372 1 1 17 HIS O O 2.705 3.461 -8.063 1.00 . A A . 17 HIS O 1 1 15 17373 1 1 18 LYS C C 2.828 2.635 -10.917 1.00 . A A . 18 LYS C 1 1 15 17374 1 1 18 LYS CA C 4.172 3.219 -10.485 1.00 . A A . 18 LYS CA 1 1 15 17375 1 1 18 LYS CB C 5.304 2.855 -11.450 1.00 . A A . 18 LYS CB 1 1 15 17376 1 1 18 LYS CD C 6.153 2.930 -13.814 1.00 . A A . 18 LYS CD 1 1 15 17377 1 1 18 LYS CE C 5.799 2.976 -15.308 1.00 . A A . 18 LYS CE 1 1 15 17378 1 1 18 LYS CG C 4.912 2.987 -12.918 1.00 . A A . 18 LYS CG 1 1 15 17379 1 1 18 LYS H H 5.386 2.220 -9.070 1.00 . A A . 18 LYS H 1 1 15 17380 1 1 18 LYS HA H 4.083 4.306 -10.460 1.00 . A A . 18 LYS HA 1 1 15 17381 1 1 18 LYS HB2 H 6.132 3.536 -11.260 1.00 . A A . 18 LYS HB2 1 1 15 17382 1 1 18 LYS HB3 H 5.606 1.825 -11.270 1.00 . A A . 18 LYS HB3 1 1 15 17383 1 1 18 LYS HD2 H 6.835 3.742 -13.554 1.00 . A A . 18 LYS HD2 1 1 15 17384 1 1 18 LYS HD3 H 6.663 1.984 -13.618 1.00 . A A . 18 LYS HD3 1 1 15 17385 1 1 18 LYS HE2 H 6.726 2.923 -15.884 1.00 . A A . 18 LYS HE2 1 1 15 17386 1 1 18 LYS HE3 H 5.192 2.102 -15.558 1.00 . A A . 18 LYS HE3 1 1 15 17387 1 1 18 LYS HG2 H 4.260 2.151 -13.170 1.00 . A A . 18 LYS HG2 1 1 15 17388 1 1 18 LYS HG3 H 4.390 3.932 -13.019 1.00 . A A . 18 LYS HG3 1 1 15 17389 1 1 18 LYS HZ1 H 4.176 4.235 -15.199 1.00 . A A . 18 LYS HZ1 1 1 15 17390 1 1 18 LYS HZ2 H 5.605 5.021 -15.443 1.00 . A A . 18 LYS HZ2 1 1 15 17391 1 1 18 LYS HZ3 H 4.888 4.203 -16.677 1.00 . A A . 18 LYS HZ3 1 1 15 17392 1 1 18 LYS N N 4.536 2.759 -9.159 1.00 . A A . 18 LYS N 1 1 15 17393 1 1 18 LYS NZ N 5.064 4.202 -15.682 1.00 . A A . 18 LYS NZ 1 1 15 17394 1 1 18 LYS O O 1.954 3.380 -11.343 1.00 . A A . 18 LYS O 1 1 15 17395 1 1 19 ALA C C 0.213 1.343 -10.405 1.00 . A A . 19 ALA C 1 1 15 17396 1 1 19 ALA CA C 1.368 0.695 -11.175 1.00 . A A . 19 ALA CA 1 1 15 17397 1 1 19 ALA CB C 1.401 -0.794 -10.863 1.00 . A A . 19 ALA CB 1 1 15 17398 1 1 19 ALA H H 3.433 0.743 -10.562 1.00 . A A . 19 ALA H 1 1 15 17399 1 1 19 ALA HA H 1.207 0.808 -12.247 1.00 . A A . 19 ALA HA 1 1 15 17400 1 1 19 ALA HB1 H 1.348 -0.922 -9.784 1.00 . A A . 19 ALA HB1 1 1 15 17401 1 1 19 ALA HB2 H 0.528 -1.268 -11.309 1.00 . A A . 19 ALA HB2 1 1 15 17402 1 1 19 ALA HB3 H 2.311 -1.247 -11.255 1.00 . A A . 19 ALA HB3 1 1 15 17403 1 1 19 ALA N N 2.647 1.317 -10.828 1.00 . A A . 19 ALA N 1 1 15 17404 1 1 19 ALA O O -0.783 1.775 -10.983 1.00 . A A . 19 ALA O 1 1 15 17405 1 1 20 HIS C C -0.754 3.593 -8.609 1.00 . A A . 20 HIS C 1 1 15 17406 1 1 20 HIS CA C -0.597 2.114 -8.226 1.00 . A A . 20 HIS CA 1 1 15 17407 1 1 20 HIS CB C -0.199 1.939 -6.751 1.00 . A A . 20 HIS CB 1 1 15 17408 1 1 20 HIS CD2 C -1.134 0.321 -4.991 1.00 . A A . 20 HIS CD2 1 1 15 17409 1 1 20 HIS CE1 C -1.036 -1.560 -6.092 1.00 . A A . 20 HIS CE1 1 1 15 17410 1 1 20 HIS CG C -0.498 0.568 -6.180 1.00 . A A . 20 HIS CG 1 1 15 17411 1 1 20 HIS H H 1.253 1.173 -8.672 1.00 . A A . 20 HIS H 1 1 15 17412 1 1 20 HIS HA H -1.572 1.642 -8.370 1.00 . A A . 20 HIS HA 1 1 15 17413 1 1 20 HIS HB2 H 0.859 2.168 -6.614 1.00 . A A . 20 HIS HB2 1 1 15 17414 1 1 20 HIS HB3 H -0.776 2.662 -6.179 1.00 . A A . 20 HIS HB3 1 1 15 17415 1 1 20 HIS HD1 H -0.104 -0.757 -7.802 1.00 . A A . 20 HIS HD1 1 1 15 17416 1 1 20 HIS HD2 H -1.421 1.064 -4.269 1.00 . A A . 20 HIS HD2 1 1 15 17417 1 1 20 HIS HE1 H -1.219 -2.572 -6.414 1.00 . A A . 20 HIS HE1 1 1 15 17418 1 1 20 HIS N N 0.375 1.453 -9.083 1.00 . A A . 20 HIS N 1 1 15 17419 1 1 20 HIS ND1 N -0.435 -0.628 -6.857 1.00 . A A . 20 HIS ND1 1 1 15 17420 1 1 20 HIS NE2 N -1.493 -1.031 -4.943 1.00 . A A . 20 HIS NE2 1 1 15 17421 1 1 20 HIS O O -1.748 4.217 -8.253 1.00 . A A . 20 HIS O 1 1 15 17422 1 1 21 ALA C C -0.578 5.713 -11.086 1.00 . A A . 21 ALA C 1 1 15 17423 1 1 21 ALA CA C 0.169 5.560 -9.764 1.00 . A A . 21 ALA CA 1 1 15 17424 1 1 21 ALA CB C 1.585 6.131 -9.862 1.00 . A A . 21 ALA CB 1 1 15 17425 1 1 21 ALA H H 1.003 3.595 -9.605 1.00 . A A . 21 ALA H 1 1 15 17426 1 1 21 ALA HA H -0.363 6.164 -9.029 1.00 . A A . 21 ALA HA 1 1 15 17427 1 1 21 ALA HB1 H 1.512 7.204 -10.034 1.00 . A A . 21 ALA HB1 1 1 15 17428 1 1 21 ALA HB2 H 2.130 5.933 -8.938 1.00 . A A . 21 ALA HB2 1 1 15 17429 1 1 21 ALA HB3 H 2.130 5.690 -10.690 1.00 . A A . 21 ALA HB3 1 1 15 17430 1 1 21 ALA N N 0.211 4.170 -9.328 1.00 . A A . 21 ALA N 1 1 15 17431 1 1 21 ALA O O -1.471 6.529 -11.197 1.00 . A A . 21 ALA O 1 1 15 17432 1 1 22 GLU C C -2.270 4.646 -13.437 1.00 . A A . 22 GLU C 1 1 15 17433 1 1 22 GLU CA C -0.800 5.055 -13.445 1.00 . A A . 22 GLU CA 1 1 15 17434 1 1 22 GLU CB C 0.034 4.276 -14.475 1.00 . A A . 22 GLU CB 1 1 15 17435 1 1 22 GLU CD C -0.510 1.789 -14.908 1.00 . A A . 22 GLU CD 1 1 15 17436 1 1 22 GLU CG C 0.282 2.807 -14.103 1.00 . A A . 22 GLU CG 1 1 15 17437 1 1 22 GLU H H 0.424 4.224 -11.880 1.00 . A A . 22 GLU H 1 1 15 17438 1 1 22 GLU HA H -0.764 6.106 -13.739 1.00 . A A . 22 GLU HA 1 1 15 17439 1 1 22 GLU HB2 H -0.451 4.337 -15.452 1.00 . A A . 22 GLU HB2 1 1 15 17440 1 1 22 GLU HB3 H 1.002 4.773 -14.548 1.00 . A A . 22 GLU HB3 1 1 15 17441 1 1 22 GLU HG2 H 1.333 2.582 -14.231 1.00 . A A . 22 GLU HG2 1 1 15 17442 1 1 22 GLU HG3 H 0.054 2.630 -13.062 1.00 . A A . 22 GLU HG3 1 1 15 17443 1 1 22 GLU N N -0.228 4.946 -12.106 1.00 . A A . 22 GLU N 1 1 15 17444 1 1 22 GLU O O -3.108 5.343 -14.005 1.00 . A A . 22 GLU O 1 1 15 17445 1 1 22 GLU OE1 O -1.662 2.056 -15.306 1.00 . A A . 22 GLU OE1 1 1 15 17446 1 1 22 GLU OE2 O -0.012 0.652 -15.043 1.00 . A A . 22 GLU OE2 1 1 15 17447 1 1 23 LYS C C -4.851 4.129 -12.011 1.00 . A A . 23 LYS C 1 1 15 17448 1 1 23 LYS CA C -3.951 3.064 -12.647 1.00 . A A . 23 LYS CA 1 1 15 17449 1 1 23 LYS CB C -3.968 1.758 -11.840 1.00 . A A . 23 LYS CB 1 1 15 17450 1 1 23 LYS CD C -3.949 0.066 -13.729 1.00 . A A . 23 LYS CD 1 1 15 17451 1 1 23 LYS CE C -3.210 -1.124 -14.359 1.00 . A A . 23 LYS CE 1 1 15 17452 1 1 23 LYS CG C -3.189 0.624 -12.523 1.00 . A A . 23 LYS CG 1 1 15 17453 1 1 23 LYS H H -1.835 2.959 -12.392 1.00 . A A . 23 LYS H 1 1 15 17454 1 1 23 LYS HA H -4.337 2.879 -13.648 1.00 . A A . 23 LYS HA 1 1 15 17455 1 1 23 LYS HB2 H -3.514 1.945 -10.867 1.00 . A A . 23 LYS HB2 1 1 15 17456 1 1 23 LYS HB3 H -5.000 1.444 -11.681 1.00 . A A . 23 LYS HB3 1 1 15 17457 1 1 23 LYS HD2 H -4.915 -0.265 -13.356 1.00 . A A . 23 LYS HD2 1 1 15 17458 1 1 23 LYS HD3 H -4.111 0.843 -14.476 1.00 . A A . 23 LYS HD3 1 1 15 17459 1 1 23 LYS HE2 H -2.705 -1.704 -13.580 1.00 . A A . 23 LYS HE2 1 1 15 17460 1 1 23 LYS HE3 H -3.944 -1.771 -14.842 1.00 . A A . 23 LYS HE3 1 1 15 17461 1 1 23 LYS HG2 H -2.200 0.954 -12.832 1.00 . A A . 23 LYS HG2 1 1 15 17462 1 1 23 LYS HG3 H -3.062 -0.170 -11.785 1.00 . A A . 23 LYS HG3 1 1 15 17463 1 1 23 LYS HZ1 H -2.640 -0.046 -16.040 1.00 . A A . 23 LYS HZ1 1 1 15 17464 1 1 23 LYS HZ2 H -1.469 -0.160 -14.955 1.00 . A A . 23 LYS HZ2 1 1 15 17465 1 1 23 LYS HZ3 H -1.809 -1.467 -15.851 1.00 . A A . 23 LYS HZ3 1 1 15 17466 1 1 23 LYS N N -2.583 3.535 -12.765 1.00 . A A . 23 LYS N 1 1 15 17467 1 1 23 LYS NZ N -2.231 -0.687 -15.374 1.00 . A A . 23 LYS NZ 1 1 15 17468 1 1 23 LYS O O -5.965 4.351 -12.480 1.00 . A A . 23 LYS O 1 1 15 17469 1 1 24 LEU C C -4.963 7.148 -10.730 1.00 . A A . 24 LEU C 1 1 15 17470 1 1 24 LEU CA C -5.168 5.734 -10.183 1.00 . A A . 24 LEU CA 1 1 15 17471 1 1 24 LEU CB C -4.744 5.702 -8.712 1.00 . A A . 24 LEU CB 1 1 15 17472 1 1 24 LEU CD1 C -6.685 4.545 -7.569 1.00 . A A . 24 LEU CD1 1 1 15 17473 1 1 24 LEU CD2 C -4.852 3.115 -8.499 1.00 . A A . 24 LEU CD2 1 1 15 17474 1 1 24 LEU CG C -5.188 4.481 -7.896 1.00 . A A . 24 LEU CG 1 1 15 17475 1 1 24 LEU H H -3.483 4.508 -10.557 1.00 . A A . 24 LEU H 1 1 15 17476 1 1 24 LEU HA H -6.230 5.498 -10.251 1.00 . A A . 24 LEU HA 1 1 15 17477 1 1 24 LEU HB2 H -3.660 5.786 -8.651 1.00 . A A . 24 LEU HB2 1 1 15 17478 1 1 24 LEU HB3 H -5.164 6.585 -8.234 1.00 . A A . 24 LEU HB3 1 1 15 17479 1 1 24 LEU HD11 H -6.903 5.462 -7.020 1.00 . A A . 24 LEU HD11 1 1 15 17480 1 1 24 LEU HD12 H -7.277 4.526 -8.482 1.00 . A A . 24 LEU HD12 1 1 15 17481 1 1 24 LEU HD13 H -6.967 3.689 -6.957 1.00 . A A . 24 LEU HD13 1 1 15 17482 1 1 24 LEU HD21 H -5.480 2.910 -9.365 1.00 . A A . 24 LEU HD21 1 1 15 17483 1 1 24 LEU HD22 H -3.803 3.084 -8.785 1.00 . A A . 24 LEU HD22 1 1 15 17484 1 1 24 LEU HD23 H -5.020 2.344 -7.748 1.00 . A A . 24 LEU HD23 1 1 15 17485 1 1 24 LEU HG H -4.616 4.555 -6.977 1.00 . A A . 24 LEU HG 1 1 15 17486 1 1 24 LEU N N -4.386 4.761 -10.928 1.00 . A A . 24 LEU N 1 1 15 17487 1 1 24 LEU O O -5.906 7.783 -11.195 1.00 . A A . 24 LEU O 1 1 15 17488 1 1 25 GLY C C -2.102 9.357 -10.132 1.00 . A A . 25 GLY C 1 1 15 17489 1 1 25 GLY CA C -3.357 9.015 -10.928 1.00 . A A . 25 GLY CA 1 1 15 17490 1 1 25 GLY H H -2.953 7.039 -10.382 1.00 . A A . 25 GLY H 1 1 15 17491 1 1 25 GLY HA2 H -3.124 9.079 -11.988 1.00 . A A . 25 GLY HA2 1 1 15 17492 1 1 25 GLY HA3 H -4.158 9.714 -10.684 1.00 . A A . 25 GLY HA3 1 1 15 17493 1 1 25 GLY N N -3.735 7.654 -10.615 1.00 . A A . 25 GLY N 1 1 15 17494 1 1 25 GLY O O -0.993 9.237 -10.647 1.00 . A A . 25 GLY O 1 1 15 17495 1 1 26 CYS C C -1.822 10.665 -6.645 1.00 . A A . 26 CYS C 1 1 15 17496 1 1 26 CYS CA C -1.205 10.183 -7.959 1.00 . A A . 26 CYS CA 1 1 15 17497 1 1 26 CYS CB C -0.358 11.301 -8.554 1.00 . A A . 26 CYS CB 1 1 15 17498 1 1 26 CYS H H -3.252 9.789 -8.539 1.00 . A A . 26 CYS H 1 1 15 17499 1 1 26 CYS HA H -0.598 9.307 -7.747 1.00 . A A . 26 CYS HA 1 1 15 17500 1 1 26 CYS HB2 H -0.252 11.239 -9.632 1.00 . A A . 26 CYS HB2 1 1 15 17501 1 1 26 CYS HB3 H -0.812 12.270 -8.343 1.00 . A A . 26 CYS HB3 1 1 15 17502 1 1 26 CYS N N -2.282 9.770 -8.874 1.00 . A A . 26 CYS N 1 1 15 17503 1 1 26 CYS O O -1.481 10.201 -5.553 1.00 . A A . 26 CYS O 1 1 15 17504 1 1 26 CYS SG S 1.309 11.295 -7.849 1.00 . A A . 26 CYS SG 1 1 15 17505 1 1 27 ASP C C -4.159 11.035 -4.861 1.00 . A A . 27 ASP C 1 1 15 17506 1 1 27 ASP CA C -3.800 12.066 -5.920 1.00 . A A . 27 ASP CA 1 1 15 17507 1 1 27 ASP CB C -5.039 12.421 -6.772 1.00 . A A . 27 ASP CB 1 1 15 17508 1 1 27 ASP CG C -5.598 11.263 -7.613 1.00 . A A . 27 ASP CG 1 1 15 17509 1 1 27 ASP H H -3.118 11.563 -7.788 1.00 . A A . 27 ASP H 1 1 15 17510 1 1 27 ASP HA H -3.426 12.968 -5.432 1.00 . A A . 27 ASP HA 1 1 15 17511 1 1 27 ASP HB2 H -5.827 12.771 -6.104 1.00 . A A . 27 ASP HB2 1 1 15 17512 1 1 27 ASP HB3 H -4.785 13.236 -7.449 1.00 . A A . 27 ASP HB3 1 1 15 17513 1 1 27 ASP N N -2.792 11.559 -6.833 1.00 . A A . 27 ASP N 1 1 15 17514 1 1 27 ASP O O -4.184 11.324 -3.668 1.00 . A A . 27 ASP O 1 1 15 17515 1 1 27 ASP OD1 O -4.793 10.369 -7.986 1.00 . A A . 27 ASP OD1 1 1 15 17516 1 1 27 ASP OD2 O -6.819 11.286 -7.862 1.00 . A A . 27 ASP OD2 1 1 15 17517 1 1 28 ALA C C -3.938 8.486 -3.290 1.00 . A A . 28 ALA C 1 1 15 17518 1 1 28 ALA CA C -4.779 8.654 -4.559 1.00 . A A . 28 ALA CA 1 1 15 17519 1 1 28 ALA CB C -4.658 7.441 -5.475 1.00 . A A . 28 ALA CB 1 1 15 17520 1 1 28 ALA H H -4.406 9.739 -6.353 1.00 . A A . 28 ALA H 1 1 15 17521 1 1 28 ALA HA H -5.822 8.773 -4.273 1.00 . A A . 28 ALA HA 1 1 15 17522 1 1 28 ALA HB1 H -4.891 6.529 -4.927 1.00 . A A . 28 ALA HB1 1 1 15 17523 1 1 28 ALA HB2 H -5.367 7.570 -6.290 1.00 . A A . 28 ALA HB2 1 1 15 17524 1 1 28 ALA HB3 H -3.647 7.385 -5.882 1.00 . A A . 28 ALA HB3 1 1 15 17525 1 1 28 ALA N N -4.416 9.818 -5.336 1.00 . A A . 28 ALA N 1 1 15 17526 1 1 28 ALA O O -4.468 8.049 -2.271 1.00 . A A . 28 ALA O 1 1 15 17527 1 1 29 CYS C C -1.021 10.018 -1.906 1.00 . A A . 29 CYS C 1 1 15 17528 1 1 29 CYS CA C -1.727 8.696 -2.224 1.00 . A A . 29 CYS CA 1 1 15 17529 1 1 29 CYS CB C -0.712 7.618 -2.488 1.00 . A A . 29 CYS CB 1 1 15 17530 1 1 29 CYS H H -2.289 9.171 -4.238 1.00 . A A . 29 CYS H 1 1 15 17531 1 1 29 CYS HA H -2.274 8.411 -1.323 1.00 . A A . 29 CYS HA 1 1 15 17532 1 1 29 CYS HB2 H -0.104 7.930 -3.336 1.00 . A A . 29 CYS HB2 1 1 15 17533 1 1 29 CYS HB3 H -0.072 7.511 -1.613 1.00 . A A . 29 CYS HB3 1 1 15 17534 1 1 29 CYS N N -2.642 8.809 -3.358 1.00 . A A . 29 CYS N 1 1 15 17535 1 1 29 CYS O O -0.745 10.289 -0.739 1.00 . A A . 29 CYS O 1 1 15 17536 1 1 29 CYS SG S -1.503 6.012 -2.834 1.00 . A A . 29 CYS SG 1 1 15 17537 1 1 30 HIS C C -0.666 13.219 -3.360 1.00 . A A . 30 HIS C 1 1 15 17538 1 1 30 HIS CA C 0.096 12.046 -2.749 1.00 . A A . 30 HIS CA 1 1 15 17539 1 1 30 HIS CB C 1.448 11.916 -3.455 1.00 . A A . 30 HIS CB 1 1 15 17540 1 1 30 HIS CD2 C 2.596 9.698 -3.783 1.00 . A A . 30 HIS CD2 1 1 15 17541 1 1 30 HIS CE1 C 4.146 9.800 -2.256 1.00 . A A . 30 HIS CE1 1 1 15 17542 1 1 30 HIS CG C 2.316 10.774 -3.002 1.00 . A A . 30 HIS CG 1 1 15 17543 1 1 30 HIS H H -0.980 10.604 -3.863 1.00 . A A . 30 HIS H 1 1 15 17544 1 1 30 HIS HA H 0.287 12.250 -1.694 1.00 . A A . 30 HIS HA 1 1 15 17545 1 1 30 HIS HB2 H 1.256 11.798 -4.525 1.00 . A A . 30 HIS HB2 1 1 15 17546 1 1 30 HIS HB3 H 1.997 12.850 -3.336 1.00 . A A . 30 HIS HB3 1 1 15 17547 1 1 30 HIS HD1 H 3.391 11.577 -1.369 1.00 . A A . 30 HIS HD1 1 1 15 17548 1 1 30 HIS HD2 H 2.098 9.431 -4.693 1.00 . A A . 30 HIS HD2 1 1 15 17549 1 1 30 HIS HE1 H 5.068 9.586 -1.738 1.00 . A A . 30 HIS HE1 1 1 15 17550 1 1 30 HIS N N -0.679 10.824 -2.919 1.00 . A A . 30 HIS N 1 1 15 17551 1 1 30 HIS ND1 N 3.291 10.828 -2.034 1.00 . A A . 30 HIS ND1 1 1 15 17552 1 1 30 HIS NE2 N 3.761 9.095 -3.326 1.00 . A A . 30 HIS NE2 1 1 15 17553 1 1 30 HIS O O -0.832 13.266 -4.575 1.00 . A A . 30 HIS O 1 1 15 17554 1 1 31 GLU C C -0.804 16.377 -3.612 1.00 . A A . 31 GLU C 1 1 15 17555 1 1 31 GLU CA C -1.779 15.370 -3.007 1.00 . A A . 31 GLU CA 1 1 15 17556 1 1 31 GLU CB C -2.576 16.011 -1.858 1.00 . A A . 31 GLU CB 1 1 15 17557 1 1 31 GLU CD C -5.004 15.670 -1.246 1.00 . A A . 31 GLU CD 1 1 15 17558 1 1 31 GLU CG C -3.619 15.036 -1.312 1.00 . A A . 31 GLU CG 1 1 15 17559 1 1 31 GLU H H -0.897 14.071 -1.545 1.00 . A A . 31 GLU H 1 1 15 17560 1 1 31 GLU HA H -2.488 15.082 -3.787 1.00 . A A . 31 GLU HA 1 1 15 17561 1 1 31 GLU HB2 H -1.952 16.323 -1.022 1.00 . A A . 31 GLU HB2 1 1 15 17562 1 1 31 GLU HB3 H -3.077 16.897 -2.255 1.00 . A A . 31 GLU HB3 1 1 15 17563 1 1 31 GLU HG2 H -3.651 14.180 -1.976 1.00 . A A . 31 GLU HG2 1 1 15 17564 1 1 31 GLU HG3 H -3.330 14.692 -0.319 1.00 . A A . 31 GLU HG3 1 1 15 17565 1 1 31 GLU N N -1.067 14.186 -2.534 1.00 . A A . 31 GLU N 1 1 15 17566 1 1 31 GLU O O -0.776 16.608 -4.817 1.00 . A A . 31 GLU O 1 1 15 17567 1 1 31 GLU OE1 O -5.485 16.089 -2.320 1.00 . A A . 31 GLU OE1 1 1 15 17568 1 1 31 GLU OE2 O -5.538 15.755 -0.120 1.00 . A A . 31 GLU OE2 1 1 15 17569 1 1 32 GLY C C 2.119 17.773 -3.639 1.00 . A A . 32 GLY C 1 1 15 17570 1 1 32 GLY CA C 0.769 18.179 -3.055 1.00 . A A . 32 GLY CA 1 1 15 17571 1 1 32 GLY H H -0.162 16.728 -1.768 1.00 . A A . 32 GLY H 1 1 15 17572 1 1 32 GLY HA2 H 0.242 18.804 -3.776 1.00 . A A . 32 GLY HA2 1 1 15 17573 1 1 32 GLY HA3 H 0.928 18.767 -2.150 1.00 . A A . 32 GLY HA3 1 1 15 17574 1 1 32 GLY N N -0.040 17.014 -2.727 1.00 . A A . 32 GLY N 1 1 15 17575 1 1 32 GLY O O 2.303 17.786 -4.853 1.00 . A A . 32 GLY O 1 1 15 17576 1 1 33 THR C C 4.807 15.780 -2.451 1.00 . A A . 33 THR C 1 1 15 17577 1 1 33 THR CA C 4.433 17.097 -3.131 1.00 . A A . 33 THR CA 1 1 15 17578 1 1 33 THR CB C 5.370 18.231 -2.685 1.00 . A A . 33 THR CB 1 1 15 17579 1 1 33 THR CG2 C 6.785 18.032 -3.239 1.00 . A A . 33 THR CG2 1 1 15 17580 1 1 33 THR H H 2.842 17.409 -1.779 1.00 . A A . 33 THR H 1 1 15 17581 1 1 33 THR HA H 4.508 17.022 -4.214 1.00 . A A . 33 THR HA 1 1 15 17582 1 1 33 THR HB H 5.413 18.261 -1.595 1.00 . A A . 33 THR HB 1 1 15 17583 1 1 33 THR HG1 H 5.453 20.174 -2.864 1.00 . A A . 33 THR HG1 1 1 15 17584 1 1 33 THR HG21 H 7.427 18.853 -2.918 1.00 . A A . 33 THR HG21 1 1 15 17585 1 1 33 THR HG22 H 7.210 17.097 -2.873 1.00 . A A . 33 THR HG22 1 1 15 17586 1 1 33 THR HG23 H 6.758 18.009 -4.330 1.00 . A A . 33 THR HG23 1 1 15 17587 1 1 33 THR N N 3.063 17.422 -2.763 1.00 . A A . 33 THR N 1 1 15 17588 1 1 33 THR O O 4.727 15.700 -1.226 1.00 . A A . 33 THR O 1 1 15 17589 1 1 33 THR OG1 O 4.870 19.469 -3.154 1.00 . A A . 33 THR OG1 1 1 15 17590 1 1 34 PRO C C 7.031 13.634 -2.033 1.00 . A A . 34 PRO C 1 1 15 17591 1 1 34 PRO CA C 5.624 13.481 -2.618 1.00 . A A . 34 PRO CA 1 1 15 17592 1 1 34 PRO CB C 5.599 12.483 -3.766 1.00 . A A . 34 PRO CB 1 1 15 17593 1 1 34 PRO CD C 5.261 14.687 -4.651 1.00 . A A . 34 PRO CD 1 1 15 17594 1 1 34 PRO CG C 5.890 13.337 -4.990 1.00 . A A . 34 PRO CG 1 1 15 17595 1 1 34 PRO HA H 4.929 13.141 -1.856 1.00 . A A . 34 PRO HA 1 1 15 17596 1 1 34 PRO HB2 H 6.321 11.685 -3.611 1.00 . A A . 34 PRO HB2 1 1 15 17597 1 1 34 PRO HB3 H 4.600 12.070 -3.889 1.00 . A A . 34 PRO HB3 1 1 15 17598 1 1 34 PRO HD2 H 5.883 15.485 -5.061 1.00 . A A . 34 PRO HD2 1 1 15 17599 1 1 34 PRO HD3 H 4.252 14.740 -5.065 1.00 . A A . 34 PRO HD3 1 1 15 17600 1 1 34 PRO HG2 H 6.967 13.447 -5.104 1.00 . A A . 34 PRO HG2 1 1 15 17601 1 1 34 PRO HG3 H 5.439 12.902 -5.878 1.00 . A A . 34 PRO HG3 1 1 15 17602 1 1 34 PRO N N 5.193 14.737 -3.201 1.00 . A A . 34 PRO N 1 1 15 17603 1 1 34 PRO O O 7.910 14.199 -2.680 1.00 . A A . 34 PRO O 1 1 15 17604 1 1 35 ALA C C 8.574 11.996 0.865 1.00 . A A . 35 ALA C 1 1 15 17605 1 1 35 ALA CA C 8.539 13.142 -0.146 1.00 . A A . 35 ALA CA 1 1 15 17606 1 1 35 ALA CB C 8.746 14.510 0.514 1.00 . A A . 35 ALA CB 1 1 15 17607 1 1 35 ALA H H 6.478 12.700 -0.316 1.00 . A A . 35 ALA H 1 1 15 17608 1 1 35 ALA HA H 9.340 12.979 -0.871 1.00 . A A . 35 ALA HA 1 1 15 17609 1 1 35 ALA HB1 H 7.959 14.694 1.246 1.00 . A A . 35 ALA HB1 1 1 15 17610 1 1 35 ALA HB2 H 9.716 14.535 1.013 1.00 . A A . 35 ALA HB2 1 1 15 17611 1 1 35 ALA HB3 H 8.718 15.292 -0.245 1.00 . A A . 35 ALA HB3 1 1 15 17612 1 1 35 ALA N N 7.246 13.121 -0.819 1.00 . A A . 35 ALA N 1 1 15 17613 1 1 35 ALA O O 8.818 12.207 2.050 1.00 . A A . 35 ALA O 1 1 15 17614 1 1 36 LYS C C 6.671 9.717 1.908 1.00 . A A . 36 LYS C 1 1 15 17615 1 1 36 LYS CA C 7.971 9.585 1.117 1.00 . A A . 36 LYS CA 1 1 15 17616 1 1 36 LYS CB C 9.130 9.129 2.015 1.00 . A A . 36 LYS CB 1 1 15 17617 1 1 36 LYS CD C 11.436 8.017 1.984 1.00 . A A . 36 LYS CD 1 1 15 17618 1 1 36 LYS CE C 10.943 6.656 2.502 1.00 . A A . 36 LYS CE 1 1 15 17619 1 1 36 LYS CG C 10.357 8.745 1.175 1.00 . A A . 36 LYS CG 1 1 15 17620 1 1 36 LYS H H 8.193 10.721 -0.635 1.00 . A A . 36 LYS H 1 1 15 17621 1 1 36 LYS HA H 7.809 8.808 0.370 1.00 . A A . 36 LYS HA 1 1 15 17622 1 1 36 LYS HB2 H 9.406 9.906 2.729 1.00 . A A . 36 LYS HB2 1 1 15 17623 1 1 36 LYS HB3 H 8.771 8.279 2.591 1.00 . A A . 36 LYS HB3 1 1 15 17624 1 1 36 LYS HD2 H 12.309 7.895 1.336 1.00 . A A . 36 LYS HD2 1 1 15 17625 1 1 36 LYS HD3 H 11.725 8.650 2.824 1.00 . A A . 36 LYS HD3 1 1 15 17626 1 1 36 LYS HE2 H 11.068 6.615 3.581 1.00 . A A . 36 LYS HE2 1 1 15 17627 1 1 36 LYS HE3 H 9.884 6.520 2.294 1.00 . A A . 36 LYS HE3 1 1 15 17628 1 1 36 LYS HG2 H 10.075 8.117 0.327 1.00 . A A . 36 LYS HG2 1 1 15 17629 1 1 36 LYS HG3 H 10.799 9.662 0.783 1.00 . A A . 36 LYS HG3 1 1 15 17630 1 1 36 LYS HZ1 H 11.394 5.512 0.852 1.00 . A A . 36 LYS HZ1 1 1 15 17631 1 1 36 LYS HZ2 H 12.590 5.419 2.035 1.00 . A A . 36 LYS HZ2 1 1 15 17632 1 1 36 LYS HZ3 H 11.088 4.662 2.128 1.00 . A A . 36 LYS HZ3 1 1 15 17633 1 1 36 LYS N N 8.283 10.789 0.364 1.00 . A A . 36 LYS N 1 1 15 17634 1 1 36 LYS NZ N 11.604 5.507 1.856 1.00 . A A . 36 LYS NZ 1 1 15 17635 1 1 36 LYS O O 6.288 10.800 2.341 1.00 . A A . 36 LYS O 1 1 15 17636 1 1 37 ILE C C 5.286 7.644 4.221 1.00 . A A . 37 ILE C 1 1 15 17637 1 1 37 ILE CA C 4.855 8.454 2.998 1.00 . A A . 37 ILE CA 1 1 15 17638 1 1 37 ILE CB C 3.638 7.823 2.299 1.00 . A A . 37 ILE CB 1 1 15 17639 1 1 37 ILE CD1 C 2.181 7.969 0.190 1.00 . A A . 37 ILE CD1 1 1 15 17640 1 1 37 ILE CG1 C 3.490 8.373 0.876 1.00 . A A . 37 ILE CG1 1 1 15 17641 1 1 37 ILE CG2 C 2.375 8.085 3.132 1.00 . A A . 37 ILE CG2 1 1 15 17642 1 1 37 ILE H H 6.292 7.771 1.556 1.00 . A A . 37 ILE H 1 1 15 17643 1 1 37 ILE HA H 4.562 9.435 3.356 1.00 . A A . 37 ILE HA 1 1 15 17644 1 1 37 ILE HB H 3.799 6.749 2.220 1.00 . A A . 37 ILE HB 1 1 15 17645 1 1 37 ILE HD11 H 2.234 8.223 -0.868 1.00 . A A . 37 ILE HD11 1 1 15 17646 1 1 37 ILE HD12 H 2.016 6.898 0.290 1.00 . A A . 37 ILE HD12 1 1 15 17647 1 1 37 ILE HD13 H 1.341 8.508 0.628 1.00 . A A . 37 ILE HD13 1 1 15 17648 1 1 37 ILE HG12 H 3.551 9.460 0.902 1.00 . A A . 37 ILE HG12 1 1 15 17649 1 1 37 ILE HG13 H 4.325 7.982 0.296 1.00 . A A . 37 ILE HG13 1 1 15 17650 1 1 37 ILE HG21 H 2.523 7.763 4.161 1.00 . A A . 37 ILE HG21 1 1 15 17651 1 1 37 ILE HG22 H 2.140 9.151 3.128 1.00 . A A . 37 ILE HG22 1 1 15 17652 1 1 37 ILE HG23 H 1.529 7.533 2.723 1.00 . A A . 37 ILE HG23 1 1 15 17653 1 1 37 ILE N N 5.986 8.583 2.076 1.00 . A A . 37 ILE N 1 1 15 17654 1 1 37 ILE O O 4.911 7.951 5.347 1.00 . A A . 37 ILE O 1 1 15 17655 1 1 38 ALA C C 5.520 4.894 5.604 1.00 . A A . 38 ALA C 1 1 15 17656 1 1 38 ALA CA C 6.646 5.683 4.940 1.00 . A A . 38 ALA CA 1 1 15 17657 1 1 38 ALA CB C 7.541 6.416 5.945 1.00 . A A . 38 ALA CB 1 1 15 17658 1 1 38 ALA H H 6.275 6.451 2.991 1.00 . A A . 38 ALA H 1 1 15 17659 1 1 38 ALA HA H 7.277 4.975 4.403 1.00 . A A . 38 ALA HA 1 1 15 17660 1 1 38 ALA HB1 H 8.028 5.685 6.591 1.00 . A A . 38 ALA HB1 1 1 15 17661 1 1 38 ALA HB2 H 8.298 6.984 5.405 1.00 . A A . 38 ALA HB2 1 1 15 17662 1 1 38 ALA HB3 H 6.956 7.093 6.566 1.00 . A A . 38 ALA HB3 1 1 15 17663 1 1 38 ALA N N 6.089 6.611 3.962 1.00 . A A . 38 ALA N 1 1 15 17664 1 1 38 ALA O O 5.302 4.977 6.808 1.00 . A A . 38 ALA O 1 1 15 17665 1 1 39 ILE C C 4.168 2.077 5.923 1.00 . A A . 39 ILE C 1 1 15 17666 1 1 39 ILE CA C 3.665 3.341 5.242 1.00 . A A . 39 ILE CA 1 1 15 17667 1 1 39 ILE CB C 2.740 3.053 4.058 1.00 . A A . 39 ILE CB 1 1 15 17668 1 1 39 ILE CD1 C 1.290 5.112 4.656 1.00 . A A . 39 ILE CD1 1 1 15 17669 1 1 39 ILE CG1 C 2.079 4.354 3.583 1.00 . A A . 39 ILE CG1 1 1 15 17670 1 1 39 ILE CG2 C 1.697 1.994 4.408 1.00 . A A . 39 ILE CG2 1 1 15 17671 1 1 39 ILE H H 5.077 4.035 3.824 1.00 . A A . 39 ILE H 1 1 15 17672 1 1 39 ILE HA H 3.097 3.890 6.000 1.00 . A A . 39 ILE HA 1 1 15 17673 1 1 39 ILE HB H 3.322 2.657 3.231 1.00 . A A . 39 ILE HB 1 1 15 17674 1 1 39 ILE HD11 H 1.966 5.657 5.314 1.00 . A A . 39 ILE HD11 1 1 15 17675 1 1 39 ILE HD12 H 0.627 5.832 4.175 1.00 . A A . 39 ILE HD12 1 1 15 17676 1 1 39 ILE HD13 H 0.690 4.428 5.248 1.00 . A A . 39 ILE HD13 1 1 15 17677 1 1 39 ILE HG12 H 2.847 5.015 3.195 1.00 . A A . 39 ILE HG12 1 1 15 17678 1 1 39 ILE HG13 H 1.412 4.097 2.769 1.00 . A A . 39 ILE HG13 1 1 15 17679 1 1 39 ILE HG21 H 2.173 1.016 4.468 1.00 . A A . 39 ILE HG21 1 1 15 17680 1 1 39 ILE HG22 H 1.236 2.236 5.360 1.00 . A A . 39 ILE HG22 1 1 15 17681 1 1 39 ILE HG23 H 0.934 1.943 3.636 1.00 . A A . 39 ILE HG23 1 1 15 17682 1 1 39 ILE N N 4.795 4.129 4.788 1.00 . A A . 39 ILE N 1 1 15 17683 1 1 39 ILE O O 4.696 1.168 5.286 1.00 . A A . 39 ILE O 1 1 15 17684 1 1 40 ASP C C 3.223 0.443 8.896 1.00 . A A . 40 ASP C 1 1 15 17685 1 1 40 ASP CA C 4.419 1.061 8.172 1.00 . A A . 40 ASP CA 1 1 15 17686 1 1 40 ASP CB C 5.335 1.735 9.196 1.00 . A A . 40 ASP CB 1 1 15 17687 1 1 40 ASP CG C 4.582 2.716 10.096 1.00 . A A . 40 ASP CG 1 1 15 17688 1 1 40 ASP H H 3.540 2.872 7.666 1.00 . A A . 40 ASP H 1 1 15 17689 1 1 40 ASP HA H 5.010 0.311 7.653 1.00 . A A . 40 ASP HA 1 1 15 17690 1 1 40 ASP HB2 H 5.818 0.979 9.810 1.00 . A A . 40 ASP HB2 1 1 15 17691 1 1 40 ASP HB3 H 6.123 2.256 8.670 1.00 . A A . 40 ASP HB3 1 1 15 17692 1 1 40 ASP N N 3.969 2.061 7.234 1.00 . A A . 40 ASP N 1 1 15 17693 1 1 40 ASP O O 2.061 0.739 8.614 1.00 . A A . 40 ASP O 1 1 15 17694 1 1 40 ASP OD1 O 3.606 3.324 9.594 1.00 . A A . 40 ASP OD1 1 1 15 17695 1 1 40 ASP OD2 O 5.005 2.825 11.266 1.00 . A A . 40 ASP OD2 1 1 15 17696 1 1 41 LYS C C 1.840 0.192 11.426 1.00 . A A . 41 LYS C 1 1 15 17697 1 1 41 LYS CA C 2.749 -0.916 10.935 1.00 . A A . 41 LYS CA 1 1 15 17698 1 1 41 LYS CB C 3.652 -1.484 12.039 1.00 . A A . 41 LYS CB 1 1 15 17699 1 1 41 LYS CD C 5.861 -1.196 13.323 1.00 . A A . 41 LYS CD 1 1 15 17700 1 1 41 LYS CE C 7.217 -1.183 12.583 1.00 . A A . 41 LYS CE 1 1 15 17701 1 1 41 LYS CG C 4.729 -0.504 12.540 1.00 . A A . 41 LYS CG 1 1 15 17702 1 1 41 LYS H H 4.507 -0.725 9.875 1.00 . A A . 41 LYS H 1 1 15 17703 1 1 41 LYS HA H 2.164 -1.748 10.544 1.00 . A A . 41 LYS HA 1 1 15 17704 1 1 41 LYS HB2 H 3.036 -1.805 12.877 1.00 . A A . 41 LYS HB2 1 1 15 17705 1 1 41 LYS HB3 H 4.123 -2.364 11.619 1.00 . A A . 41 LYS HB3 1 1 15 17706 1 1 41 LYS HD2 H 5.984 -0.630 14.246 1.00 . A A . 41 LYS HD2 1 1 15 17707 1 1 41 LYS HD3 H 5.580 -2.214 13.598 1.00 . A A . 41 LYS HD3 1 1 15 17708 1 1 41 LYS HE2 H 7.392 -0.191 12.164 1.00 . A A . 41 LYS HE2 1 1 15 17709 1 1 41 LYS HE3 H 8.019 -1.406 13.287 1.00 . A A . 41 LYS HE3 1 1 15 17710 1 1 41 LYS HG2 H 5.158 0.064 11.719 1.00 . A A . 41 LYS HG2 1 1 15 17711 1 1 41 LYS HG3 H 4.238 0.228 13.184 1.00 . A A . 41 LYS HG3 1 1 15 17712 1 1 41 LYS HZ1 H 6.397 -2.181 10.987 1.00 . A A . 41 LYS HZ1 1 1 15 17713 1 1 41 LYS HZ2 H 7.919 -1.985 10.727 1.00 . A A . 41 LYS HZ2 1 1 15 17714 1 1 41 LYS HZ3 H 7.474 -3.128 11.836 1.00 . A A . 41 LYS HZ3 1 1 15 17715 1 1 41 LYS N N 3.548 -0.420 9.853 1.00 . A A . 41 LYS N 1 1 15 17716 1 1 41 LYS NZ N 7.276 -2.185 11.500 1.00 . A A . 41 LYS NZ 1 1 15 17717 1 1 41 LYS O O 2.260 1.307 11.704 1.00 . A A . 41 LYS O 1 1 15 17718 1 1 42 LYS C C -1.022 1.286 10.355 1.00 . A A . 42 LYS C 1 1 15 17719 1 1 42 LYS CA C -0.563 0.695 11.687 1.00 . A A . 42 LYS CA 1 1 15 17720 1 1 42 LYS CB C -0.264 1.745 12.759 1.00 . A A . 42 LYS CB 1 1 15 17721 1 1 42 LYS CD C -1.307 3.315 14.356 1.00 . A A . 42 LYS CD 1 1 15 17722 1 1 42 LYS CE C -2.590 4.036 14.784 1.00 . A A . 42 LYS CE 1 1 15 17723 1 1 42 LYS CG C -1.584 2.179 13.362 1.00 . A A . 42 LYS CG 1 1 15 17724 1 1 42 LYS H H 0.400 -1.111 11.240 1.00 . A A . 42 LYS H 1 1 15 17725 1 1 42 LYS HA H -1.355 0.039 12.049 1.00 . A A . 42 LYS HA 1 1 15 17726 1 1 42 LYS HB2 H 0.346 1.313 13.555 1.00 . A A . 42 LYS HB2 1 1 15 17727 1 1 42 LYS HB3 H 0.254 2.605 12.330 1.00 . A A . 42 LYS HB3 1 1 15 17728 1 1 42 LYS HD2 H -0.787 2.901 15.223 1.00 . A A . 42 LYS HD2 1 1 15 17729 1 1 42 LYS HD3 H -0.645 4.036 13.869 1.00 . A A . 42 LYS HD3 1 1 15 17730 1 1 42 LYS HE2 H -3.118 4.381 13.893 1.00 . A A . 42 LYS HE2 1 1 15 17731 1 1 42 LYS HE3 H -3.235 3.341 15.326 1.00 . A A . 42 LYS HE3 1 1 15 17732 1 1 42 LYS HG2 H -2.227 2.496 12.542 1.00 . A A . 42 LYS HG2 1 1 15 17733 1 1 42 LYS HG3 H -1.998 1.281 13.825 1.00 . A A . 42 LYS HG3 1 1 15 17734 1 1 42 LYS HZ1 H -1.699 5.857 15.139 1.00 . A A . 42 LYS HZ1 1 1 15 17735 1 1 42 LYS HZ2 H -3.151 5.680 15.886 1.00 . A A . 42 LYS HZ2 1 1 15 17736 1 1 42 LYS HZ3 H -1.823 4.916 16.483 1.00 . A A . 42 LYS HZ3 1 1 15 17737 1 1 42 LYS N N 0.570 -0.163 11.482 1.00 . A A . 42 LYS N 1 1 15 17738 1 1 42 LYS NZ N -2.293 5.207 15.638 1.00 . A A . 42 LYS NZ 1 1 15 17739 1 1 42 LYS O O -2.091 0.915 9.876 1.00 . A A . 42 LYS O 1 1 15 17740 1 1 43 SER C C -1.109 2.031 7.467 1.00 . A A . 43 SER C 1 1 15 17741 1 1 43 SER CA C -0.637 2.958 8.594 1.00 . A A . 43 SER CA 1 1 15 17742 1 1 43 SER CB C 0.564 3.829 8.203 1.00 . A A . 43 SER CB 1 1 15 17743 1 1 43 SER H H 0.692 2.401 10.106 1.00 . A A . 43 SER H 1 1 15 17744 1 1 43 SER HA H -1.462 3.611 8.886 1.00 . A A . 43 SER HA 1 1 15 17745 1 1 43 SER HB2 H 1.310 3.238 7.672 1.00 . A A . 43 SER HB2 1 1 15 17746 1 1 43 SER HB3 H 0.232 4.649 7.565 1.00 . A A . 43 SER HB3 1 1 15 17747 1 1 43 SER HG H 2.077 4.010 9.464 1.00 . A A . 43 SER HG 1 1 15 17748 1 1 43 SER N N -0.237 2.183 9.755 1.00 . A A . 43 SER N 1 1 15 17749 1 1 43 SER O O -2.240 2.108 6.995 1.00 . A A . 43 SER O 1 1 15 17750 1 1 43 SER OG O 1.164 4.350 9.379 1.00 . A A . 43 SER OG 1 1 15 17751 1 1 44 ALA C C -1.818 -0.660 6.407 1.00 . A A . 44 ALA C 1 1 15 17752 1 1 44 ALA CA C -0.487 0.030 6.133 1.00 . A A . 44 ALA CA 1 1 15 17753 1 1 44 ALA CB C 0.661 -0.971 6.248 1.00 . A A . 44 ALA CB 1 1 15 17754 1 1 44 ALA H H 0.663 1.103 7.543 1.00 . A A . 44 ALA H 1 1 15 17755 1 1 44 ALA HA H -0.497 0.430 5.124 1.00 . A A . 44 ALA HA 1 1 15 17756 1 1 44 ALA HB1 H 0.698 -1.399 7.250 1.00 . A A . 44 ALA HB1 1 1 15 17757 1 1 44 ALA HB2 H 0.502 -1.767 5.523 1.00 . A A . 44 ALA HB2 1 1 15 17758 1 1 44 ALA HB3 H 1.612 -0.472 6.060 1.00 . A A . 44 ALA HB3 1 1 15 17759 1 1 44 ALA N N -0.241 1.095 7.088 1.00 . A A . 44 ALA N 1 1 15 17760 1 1 44 ALA O O -2.710 -0.707 5.555 1.00 . A A . 44 ALA O 1 1 15 17761 1 1 45 HIS C C -4.309 -1.223 8.255 1.00 . A A . 45 HIS C 1 1 15 17762 1 1 45 HIS CA C -3.017 -2.025 8.084 1.00 . A A . 45 HIS CA 1 1 15 17763 1 1 45 HIS CB C -2.631 -2.657 9.421 1.00 . A A . 45 HIS CB 1 1 15 17764 1 1 45 HIS CD2 C -0.859 -4.238 8.321 1.00 . A A . 45 HIS CD2 1 1 15 17765 1 1 45 HIS CE1 C -0.420 -5.452 10.090 1.00 . A A . 45 HIS CE1 1 1 15 17766 1 1 45 HIS CG C -1.593 -3.752 9.384 1.00 . A A . 45 HIS CG 1 1 15 17767 1 1 45 HIS H H -1.155 -1.041 8.259 1.00 . A A . 45 HIS H 1 1 15 17768 1 1 45 HIS HA H -3.201 -2.821 7.362 1.00 . A A . 45 HIS HA 1 1 15 17769 1 1 45 HIS HB2 H -2.286 -1.873 10.097 1.00 . A A . 45 HIS HB2 1 1 15 17770 1 1 45 HIS HB3 H -3.526 -3.097 9.858 1.00 . A A . 45 HIS HB3 1 1 15 17771 1 1 45 HIS HD1 H -1.679 -4.425 11.409 1.00 . A A . 45 HIS HD1 1 1 15 17772 1 1 45 HIS HD2 H -0.859 -3.882 7.303 1.00 . A A . 45 HIS HD2 1 1 15 17773 1 1 45 HIS HE1 H -0.021 -6.209 10.740 1.00 . A A . 45 HIS HE1 1 1 15 17774 1 1 45 HIS N N -1.916 -1.206 7.619 1.00 . A A . 45 HIS N 1 1 15 17775 1 1 45 HIS ND1 N -1.299 -4.525 10.479 1.00 . A A . 45 HIS ND1 1 1 15 17776 1 1 45 HIS NE2 N -0.110 -5.328 8.791 1.00 . A A . 45 HIS NE2 1 1 15 17777 1 1 45 HIS O O -5.386 -1.824 8.326 1.00 . A A . 45 HIS O 1 1 15 17778 1 1 46 LYS C C -4.985 2.384 8.079 1.00 . A A . 46 LYS C 1 1 15 17779 1 1 46 LYS CA C -5.398 0.961 8.442 1.00 . A A . 46 LYS CA 1 1 15 17780 1 1 46 LYS CB C -6.052 0.888 9.834 1.00 . A A . 46 LYS CB 1 1 15 17781 1 1 46 LYS CD C -7.690 2.847 9.506 1.00 . A A . 46 LYS CD 1 1 15 17782 1 1 46 LYS CE C -9.076 3.396 9.876 1.00 . A A . 46 LYS CE 1 1 15 17783 1 1 46 LYS CG C -7.519 1.354 9.839 1.00 . A A . 46 LYS CG 1 1 15 17784 1 1 46 LYS H H -3.314 0.553 8.389 1.00 . A A . 46 LYS H 1 1 15 17785 1 1 46 LYS HA H -6.124 0.599 7.711 1.00 . A A . 46 LYS HA 1 1 15 17786 1 1 46 LYS HB2 H -6.052 -0.148 10.173 1.00 . A A . 46 LYS HB2 1 1 15 17787 1 1 46 LYS HB3 H -5.471 1.466 10.553 1.00 . A A . 46 LYS HB3 1 1 15 17788 1 1 46 LYS HD2 H -6.945 3.416 10.068 1.00 . A A . 46 LYS HD2 1 1 15 17789 1 1 46 LYS HD3 H -7.517 3.027 8.445 1.00 . A A . 46 LYS HD3 1 1 15 17790 1 1 46 LYS HE2 H -9.260 3.240 10.941 1.00 . A A . 46 LYS HE2 1 1 15 17791 1 1 46 LYS HE3 H -9.078 4.473 9.684 1.00 . A A . 46 LYS HE3 1 1 15 17792 1 1 46 LYS HG2 H -8.076 0.739 9.131 1.00 . A A . 46 LYS HG2 1 1 15 17793 1 1 46 LYS HG3 H -7.904 1.169 10.844 1.00 . A A . 46 LYS HG3 1 1 15 17794 1 1 46 LYS HZ1 H -10.198 1.788 9.260 1.00 . A A . 46 LYS HZ1 1 1 15 17795 1 1 46 LYS HZ2 H -11.046 3.194 9.348 1.00 . A A . 46 LYS HZ2 1 1 15 17796 1 1 46 LYS HZ3 H -10.005 2.951 8.101 1.00 . A A . 46 LYS HZ3 1 1 15 17797 1 1 46 LYS N N -4.231 0.103 8.361 1.00 . A A . 46 LYS N 1 1 15 17798 1 1 46 LYS NZ N -10.160 2.782 9.085 1.00 . A A . 46 LYS NZ 1 1 15 17799 1 1 46 LYS O O -4.422 3.091 8.912 1.00 . A A . 46 LYS O 1 1 15 17800 1 1 47 ASP C C -4.258 4.252 5.211 1.00 . A A . 47 ASP C 1 1 15 17801 1 1 47 ASP CA C -5.350 4.114 6.275 1.00 . A A . 47 ASP CA 1 1 15 17802 1 1 47 ASP CB C -5.335 5.236 7.330 1.00 . A A . 47 ASP CB 1 1 15 17803 1 1 47 ASP CG C -5.855 6.558 6.784 1.00 . A A . 47 ASP CG 1 1 15 17804 1 1 47 ASP H H -5.699 2.049 6.249 1.00 . A A . 47 ASP H 1 1 15 17805 1 1 47 ASP HA H -6.298 4.184 5.740 1.00 . A A . 47 ASP HA 1 1 15 17806 1 1 47 ASP HB2 H -5.988 4.987 8.164 1.00 . A A . 47 ASP HB2 1 1 15 17807 1 1 47 ASP HB3 H -4.319 5.379 7.701 1.00 . A A . 47 ASP HB3 1 1 15 17808 1 1 47 ASP N N -5.355 2.773 6.856 1.00 . A A . 47 ASP N 1 1 15 17809 1 1 47 ASP O O -3.790 5.349 4.921 1.00 . A A . 47 ASP O 1 1 15 17810 1 1 47 ASP OD1 O -6.935 6.511 6.154 1.00 . A A . 47 ASP OD1 1 1 15 17811 1 1 47 ASP OD2 O -5.219 7.591 7.077 1.00 . A A . 47 ASP OD2 1 1 15 17812 1 1 48 ALA C C -3.213 1.934 2.535 1.00 . A A . 48 ALA C 1 1 15 17813 1 1 48 ALA CA C -2.969 3.129 3.458 1.00 . A A . 48 ALA CA 1 1 15 17814 1 1 48 ALA CB C -1.534 3.196 3.964 1.00 . A A . 48 ALA CB 1 1 15 17815 1 1 48 ALA H H -4.183 2.241 4.954 1.00 . A A . 48 ALA H 1 1 15 17816 1 1 48 ALA HA H -3.150 4.027 2.868 1.00 . A A . 48 ALA HA 1 1 15 17817 1 1 48 ALA HB1 H -1.327 2.356 4.621 1.00 . A A . 48 ALA HB1 1 1 15 17818 1 1 48 ALA HB2 H -0.855 3.195 3.114 1.00 . A A . 48 ALA HB2 1 1 15 17819 1 1 48 ALA HB3 H -1.412 4.117 4.530 1.00 . A A . 48 ALA HB3 1 1 15 17820 1 1 48 ALA N N -3.877 3.127 4.591 1.00 . A A . 48 ALA N 1 1 15 17821 1 1 48 ALA O O -3.680 2.117 1.415 1.00 . A A . 48 ALA O 1 1 15 17822 1 1 49 CYS C C -4.443 -1.118 2.420 1.00 . A A . 49 CYS C 1 1 15 17823 1 1 49 CYS CA C -3.077 -0.479 2.147 1.00 . A A . 49 CYS CA 1 1 15 17824 1 1 49 CYS CB C -1.940 -1.450 2.378 1.00 . A A . 49 CYS CB 1 1 15 17825 1 1 49 CYS H H -2.571 0.571 3.913 1.00 . A A . 49 CYS H 1 1 15 17826 1 1 49 CYS HA H -3.051 -0.196 1.099 1.00 . A A . 49 CYS HA 1 1 15 17827 1 1 49 CYS HB2 H -2.114 -1.960 3.315 1.00 . A A . 49 CYS HB2 1 1 15 17828 1 1 49 CYS HB3 H -1.940 -2.201 1.591 1.00 . A A . 49 CYS HB3 1 1 15 17829 1 1 49 CYS N N -2.926 0.707 2.980 1.00 . A A . 49 CYS N 1 1 15 17830 1 1 49 CYS O O -5.287 -1.252 1.531 1.00 . A A . 49 CYS O 1 1 15 17831 1 1 49 CYS SG S -0.280 -0.701 2.539 1.00 . A A . 49 CYS SG 1 1 15 17832 1 1 50 LYS C C -7.052 -1.155 4.245 1.00 . A A . 50 LYS C 1 1 15 17833 1 1 50 LYS CA C -5.926 -2.189 4.067 1.00 . A A . 50 LYS CA 1 1 15 17834 1 1 50 LYS CB C -5.590 -3.067 5.281 1.00 . A A . 50 LYS CB 1 1 15 17835 1 1 50 LYS CD C -6.260 -4.909 6.867 1.00 . A A . 50 LYS CD 1 1 15 17836 1 1 50 LYS CE C -7.034 -5.012 8.190 1.00 . A A . 50 LYS CE 1 1 15 17837 1 1 50 LYS CG C -6.765 -3.742 5.998 1.00 . A A . 50 LYS CG 1 1 15 17838 1 1 50 LYS H H -3.994 -1.326 4.378 1.00 . A A . 50 LYS H 1 1 15 17839 1 1 50 LYS HA H -6.239 -2.867 3.271 1.00 . A A . 50 LYS HA 1 1 15 17840 1 1 50 LYS HB2 H -4.918 -3.849 4.926 1.00 . A A . 50 LYS HB2 1 1 15 17841 1 1 50 LYS HB3 H -5.045 -2.460 5.992 1.00 . A A . 50 LYS HB3 1 1 15 17842 1 1 50 LYS HD2 H -6.390 -5.836 6.301 1.00 . A A . 50 LYS HD2 1 1 15 17843 1 1 50 LYS HD3 H -5.194 -4.801 7.077 1.00 . A A . 50 LYS HD3 1 1 15 17844 1 1 50 LYS HE2 H -8.097 -4.856 8.001 1.00 . A A . 50 LYS HE2 1 1 15 17845 1 1 50 LYS HE3 H -6.905 -6.016 8.601 1.00 . A A . 50 LYS HE3 1 1 15 17846 1 1 50 LYS HG2 H -7.263 -2.998 6.619 1.00 . A A . 50 LYS HG2 1 1 15 17847 1 1 50 LYS HG3 H -7.477 -4.124 5.265 1.00 . A A . 50 LYS HG3 1 1 15 17848 1 1 50 LYS HZ1 H -6.421 -3.113 8.763 1.00 . A A . 50 LYS HZ1 1 1 15 17849 1 1 50 LYS HZ2 H -7.176 -3.966 9.967 1.00 . A A . 50 LYS HZ2 1 1 15 17850 1 1 50 LYS HZ3 H -5.633 -4.317 9.521 1.00 . A A . 50 LYS HZ3 1 1 15 17851 1 1 50 LYS N N -4.698 -1.509 3.669 1.00 . A A . 50 LYS N 1 1 15 17852 1 1 50 LYS NZ N -6.542 -4.035 9.183 1.00 . A A . 50 LYS NZ 1 1 15 17853 1 1 50 LYS O O -7.653 -1.003 5.309 1.00 . A A . 50 LYS O 1 1 15 17854 1 1 51 THR C C -8.947 0.604 1.650 1.00 . A A . 51 THR C 1 1 15 17855 1 1 51 THR CA C -8.397 0.569 3.076 1.00 . A A . 51 THR CA 1 1 15 17856 1 1 51 THR CB C -7.888 1.927 3.594 1.00 . A A . 51 THR CB 1 1 15 17857 1 1 51 THR CG2 C -6.710 2.496 2.802 1.00 . A A . 51 THR CG2 1 1 15 17858 1 1 51 THR H H -6.851 -0.681 2.309 1.00 . A A . 51 THR H 1 1 15 17859 1 1 51 THR HA H -9.219 0.272 3.725 1.00 . A A . 51 THR HA 1 1 15 17860 1 1 51 THR HB H -7.564 1.799 4.628 1.00 . A A . 51 THR HB 1 1 15 17861 1 1 51 THR HG1 H -9.663 2.575 4.115 1.00 . A A . 51 THR HG1 1 1 15 17862 1 1 51 THR HG21 H -6.336 3.385 3.308 1.00 . A A . 51 THR HG21 1 1 15 17863 1 1 51 THR HG22 H -5.915 1.758 2.739 1.00 . A A . 51 THR HG22 1 1 15 17864 1 1 51 THR HG23 H -7.017 2.796 1.800 1.00 . A A . 51 THR HG23 1 1 15 17865 1 1 51 THR N N -7.363 -0.451 3.157 1.00 . A A . 51 THR N 1 1 15 17866 1 1 51 THR O O -10.155 0.471 1.473 1.00 . A A . 51 THR O 1 1 15 17867 1 1 51 THR OG1 O -8.929 2.878 3.578 1.00 . A A . 51 THR OG1 1 1 15 17868 1 1 52 CYS C C -8.992 -0.719 -1.114 1.00 . A A . 52 CYS C 1 1 15 17869 1 1 52 CYS CA C -8.420 0.649 -0.755 1.00 . A A . 52 CYS CA 1 1 15 17870 1 1 52 CYS CB C -7.201 0.938 -1.593 1.00 . A A . 52 CYS CB 1 1 15 17871 1 1 52 CYS H H -7.086 0.835 0.876 1.00 . A A . 52 CYS H 1 1 15 17872 1 1 52 CYS HA H -9.190 1.394 -0.967 1.00 . A A . 52 CYS HA 1 1 15 17873 1 1 52 CYS HB2 H -6.293 0.598 -1.091 1.00 . A A . 52 CYS HB2 1 1 15 17874 1 1 52 CYS HB3 H -7.270 0.394 -2.533 1.00 . A A . 52 CYS HB3 1 1 15 17875 1 1 52 CYS N N -8.063 0.703 0.654 1.00 . A A . 52 CYS N 1 1 15 17876 1 1 52 CYS O O -10.116 -0.819 -1.605 1.00 . A A . 52 CYS O 1 1 15 17877 1 1 52 CYS SG S -7.073 2.705 -1.986 1.00 . A A . 52 CYS SG 1 1 15 17878 1 1 53 HIS C C -9.698 -3.660 -0.415 1.00 . A A . 53 HIS C 1 1 15 17879 1 1 53 HIS CA C -8.575 -3.126 -1.323 1.00 . A A . 53 HIS CA 1 1 15 17880 1 1 53 HIS CB C -7.350 -4.068 -1.417 1.00 . A A . 53 HIS CB 1 1 15 17881 1 1 53 HIS CD2 C -5.270 -3.267 -2.750 1.00 . A A . 53 HIS CD2 1 1 15 17882 1 1 53 HIS CE1 C -4.164 -2.345 -1.119 1.00 . A A . 53 HIS CE1 1 1 15 17883 1 1 53 HIS CG C -6.001 -3.416 -1.597 1.00 . A A . 53 HIS CG 1 1 15 17884 1 1 53 HIS H H -7.282 -1.613 -0.539 1.00 . A A . 53 HIS H 1 1 15 17885 1 1 53 HIS HA H -8.967 -3.042 -2.338 1.00 . A A . 53 HIS HA 1 1 15 17886 1 1 53 HIS HB2 H -7.293 -4.685 -0.521 1.00 . A A . 53 HIS HB2 1 1 15 17887 1 1 53 HIS HB3 H -7.507 -4.751 -2.251 1.00 . A A . 53 HIS HB3 1 1 15 17888 1 1 53 HIS HD1 H -5.555 -2.619 0.376 1.00 . A A . 53 HIS HD1 1 1 15 17889 1 1 53 HIS HD2 H -5.500 -3.582 -3.753 1.00 . A A . 53 HIS HD2 1 1 15 17890 1 1 53 HIS HE1 H -3.436 -1.782 -0.578 1.00 . A A . 53 HIS HE1 1 1 15 17891 1 1 53 HIS N N -8.209 -1.780 -0.899 1.00 . A A . 53 HIS N 1 1 15 17892 1 1 53 HIS ND1 N -5.282 -2.839 -0.580 1.00 . A A . 53 HIS ND1 1 1 15 17893 1 1 53 HIS NE2 N -4.103 -2.570 -2.433 1.00 . A A . 53 HIS NE2 1 1 15 17894 1 1 53 HIS O O -9.446 -4.395 0.539 1.00 . A A . 53 HIS O 1 1 15 17895 1 1 54 LYS C C -13.198 -4.086 -1.003 1.00 . A A . 54 LYS C 1 1 15 17896 1 1 54 LYS CA C -12.166 -3.570 -0.001 1.00 . A A . 54 LYS CA 1 1 15 17897 1 1 54 LYS CB C -12.733 -2.339 0.706 1.00 . A A . 54 LYS CB 1 1 15 17898 1 1 54 LYS CD C -12.082 -3.068 3.050 1.00 . A A . 54 LYS CD 1 1 15 17899 1 1 54 LYS CE C -12.280 -2.442 4.436 1.00 . A A . 54 LYS CE 1 1 15 17900 1 1 54 LYS CG C -11.937 -1.994 1.961 1.00 . A A . 54 LYS CG 1 1 15 17901 1 1 54 LYS H H -10.952 -2.426 -1.331 1.00 . A A . 54 LYS H 1 1 15 17902 1 1 54 LYS HA H -11.987 -4.343 0.742 1.00 . A A . 54 LYS HA 1 1 15 17903 1 1 54 LYS HB2 H -12.707 -1.483 0.028 1.00 . A A . 54 LYS HB2 1 1 15 17904 1 1 54 LYS HB3 H -13.773 -2.519 0.986 1.00 . A A . 54 LYS HB3 1 1 15 17905 1 1 54 LYS HD2 H -12.955 -3.691 2.845 1.00 . A A . 54 LYS HD2 1 1 15 17906 1 1 54 LYS HD3 H -11.198 -3.712 3.033 1.00 . A A . 54 LYS HD3 1 1 15 17907 1 1 54 LYS HE2 H -13.235 -1.910 4.444 1.00 . A A . 54 LYS HE2 1 1 15 17908 1 1 54 LYS HE3 H -12.331 -3.238 5.182 1.00 . A A . 54 LYS HE3 1 1 15 17909 1 1 54 LYS HG2 H -10.887 -1.869 1.695 1.00 . A A . 54 LYS HG2 1 1 15 17910 1 1 54 LYS HG3 H -12.342 -1.043 2.290 1.00 . A A . 54 LYS HG3 1 1 15 17911 1 1 54 LYS HZ1 H -11.155 -0.769 4.082 1.00 . A A . 54 LYS HZ1 1 1 15 17912 1 1 54 LYS HZ2 H -11.382 -1.086 5.680 1.00 . A A . 54 LYS HZ2 1 1 15 17913 1 1 54 LYS HZ3 H -10.305 -1.976 4.809 1.00 . A A . 54 LYS HZ3 1 1 15 17914 1 1 54 LYS N N -10.926 -3.207 -0.682 1.00 . A A . 54 LYS N 1 1 15 17915 1 1 54 LYS NZ N -11.196 -1.500 4.779 1.00 . A A . 54 LYS NZ 1 1 15 17916 1 1 54 LYS O O -13.667 -5.216 -0.911 1.00 . A A . 54 LYS O 1 1 15 17917 1 1 55 SER C C -13.717 -4.648 -3.895 1.00 . A A . 55 SER C 1 1 15 17918 1 1 55 SER CA C -14.436 -3.588 -3.068 1.00 . A A . 55 SER CA 1 1 15 17919 1 1 55 SER CB C -14.651 -2.314 -3.890 1.00 . A A . 55 SER CB 1 1 15 17920 1 1 55 SER H H -13.147 -2.317 -2.026 1.00 . A A . 55 SER H 1 1 15 17921 1 1 55 SER HA H -15.393 -3.978 -2.717 1.00 . A A . 55 SER HA 1 1 15 17922 1 1 55 SER HB2 H -14.986 -2.570 -4.897 1.00 . A A . 55 SER HB2 1 1 15 17923 1 1 55 SER HB3 H -15.411 -1.694 -3.411 1.00 . A A . 55 SER HB3 1 1 15 17924 1 1 55 SER HG H -13.490 -0.878 -4.560 1.00 . A A . 55 SER HG 1 1 15 17925 1 1 55 SER N N -13.578 -3.230 -1.953 1.00 . A A . 55 SER N 1 1 15 17926 1 1 55 SER O O -14.248 -5.720 -4.167 1.00 . A A . 55 SER O 1 1 15 17927 1 1 55 SER OG O -13.422 -1.600 -3.928 1.00 . A A . 55 SER OG 1 1 15 17928 1 1 56 ASN C C -11.517 -6.558 -4.518 1.00 . A A . 56 ASN C 1 1 15 17929 1 1 56 ASN CA C -11.568 -5.126 -5.055 1.00 . A A . 56 ASN CA 1 1 15 17930 1 1 56 ASN CB C -10.156 -4.514 -5.042 1.00 . A A . 56 ASN CB 1 1 15 17931 1 1 56 ASN CG C -10.093 -3.083 -5.574 1.00 . A A . 56 ASN CG 1 1 15 17932 1 1 56 ASN H H -12.248 -3.329 -4.114 1.00 . A A . 56 ASN H 1 1 15 17933 1 1 56 ASN HA H -11.927 -5.157 -6.086 1.00 . A A . 56 ASN HA 1 1 15 17934 1 1 56 ASN HB2 H -9.777 -4.524 -4.019 1.00 . A A . 56 ASN HB2 1 1 15 17935 1 1 56 ASN HB3 H -9.504 -5.136 -5.656 1.00 . A A . 56 ASN HB3 1 1 15 17936 1 1 56 ASN HD21 H -8.117 -2.884 -5.076 1.00 . A A . 56 ASN HD21 1 1 15 17937 1 1 56 ASN HD22 H -8.899 -1.483 -5.782 1.00 . A A . 56 ASN HD22 1 1 15 17938 1 1 56 ASN N N -12.486 -4.303 -4.278 1.00 . A A . 56 ASN N 1 1 15 17939 1 1 56 ASN ND2 N -8.933 -2.439 -5.466 1.00 . A A . 56 ASN ND2 1 1 15 17940 1 1 56 ASN O O -11.588 -7.511 -5.289 1.00 . A A . 56 ASN O 1 1 15 17941 1 1 56 ASN OD1 O -11.078 -2.537 -6.058 1.00 . A A . 56 ASN OD1 1 1 15 17942 1 1 57 ASN C C -11.496 -7.799 -1.026 1.00 . A A . 57 ASN C 1 1 15 17943 1 1 57 ASN CA C -11.286 -7.999 -2.527 1.00 . A A . 57 ASN CA 1 1 15 17944 1 1 57 ASN CB C -9.951 -8.710 -2.814 1.00 . A A . 57 ASN CB 1 1 15 17945 1 1 57 ASN CG C -8.714 -7.978 -2.289 1.00 . A A . 57 ASN CG 1 1 15 17946 1 1 57 ASN H H -11.326 -5.901 -2.593 1.00 . A A . 57 ASN H 1 1 15 17947 1 1 57 ASN HA H -12.098 -8.621 -2.905 1.00 . A A . 57 ASN HA 1 1 15 17948 1 1 57 ASN HB2 H -9.987 -9.695 -2.348 1.00 . A A . 57 ASN HB2 1 1 15 17949 1 1 57 ASN HB3 H -9.837 -8.853 -3.889 1.00 . A A . 57 ASN HB3 1 1 15 17950 1 1 57 ASN HD21 H -7.534 -9.610 -2.607 1.00 . A A . 57 ASN HD21 1 1 15 17951 1 1 57 ASN HD22 H -6.736 -8.192 -1.957 1.00 . A A . 57 ASN HD22 1 1 15 17952 1 1 57 ASN N N -11.362 -6.710 -3.199 1.00 . A A . 57 ASN N 1 1 15 17953 1 1 57 ASN ND2 N -7.575 -8.663 -2.260 1.00 . A A . 57 ASN ND2 1 1 15 17954 1 1 57 ASN O O -11.261 -6.712 -0.507 1.00 . A A . 57 ASN O 1 1 15 17955 1 1 57 ASN OD1 O -8.757 -6.809 -1.924 1.00 . A A . 57 ASN OD1 1 1 15 17956 1 1 58 GLY C C -11.278 -9.708 1.863 1.00 . A A . 58 GLY C 1 1 15 17957 1 1 58 GLY CA C -12.262 -8.835 1.083 1.00 . A A . 58 GLY CA 1 1 15 17958 1 1 58 GLY H H -12.107 -9.718 -0.832 1.00 . A A . 58 GLY H 1 1 15 17959 1 1 58 GLY HA2 H -12.305 -7.823 1.482 1.00 . A A . 58 GLY HA2 1 1 15 17960 1 1 58 GLY HA3 H -13.257 -9.265 1.198 1.00 . A A . 58 GLY HA3 1 1 15 17961 1 1 58 GLY N N -11.943 -8.854 -0.338 1.00 . A A . 58 GLY N 1 1 15 17962 1 1 58 GLY O O -11.530 -10.904 2.009 1.00 . A A . 58 GLY O 1 1 15 17963 1 1 59 PRO C C -9.753 -10.181 4.542 1.00 . A A . 59 PRO C 1 1 15 17964 1 1 59 PRO CA C -9.202 -9.918 3.145 1.00 . A A . 59 PRO CA 1 1 15 17965 1 1 59 PRO CB C -7.929 -9.066 3.166 1.00 . A A . 59 PRO CB 1 1 15 17966 1 1 59 PRO CD C -9.702 -7.786 2.182 1.00 . A A . 59 PRO CD 1 1 15 17967 1 1 59 PRO CG C -8.487 -7.643 3.101 1.00 . A A . 59 PRO CG 1 1 15 17968 1 1 59 PRO HA H -9.037 -10.916 2.718 1.00 . A A . 59 PRO HA 1 1 15 17969 1 1 59 PRO HB2 H -7.312 -9.230 4.051 1.00 . A A . 59 PRO HB2 1 1 15 17970 1 1 59 PRO HB3 H -7.350 -9.266 2.263 1.00 . A A . 59 PRO HB3 1 1 15 17971 1 1 59 PRO HD2 H -10.462 -7.056 2.463 1.00 . A A . 59 PRO HD2 1 1 15 17972 1 1 59 PRO HD3 H -9.397 -7.628 1.147 1.00 . A A . 59 PRO HD3 1 1 15 17973 1 1 59 PRO HG2 H -8.821 -7.342 4.095 1.00 . A A . 59 PRO HG2 1 1 15 17974 1 1 59 PRO HG3 H -7.761 -6.927 2.715 1.00 . A A . 59 PRO HG3 1 1 15 17975 1 1 59 PRO N N -10.152 -9.161 2.348 1.00 . A A . 59 PRO N 1 1 15 17976 1 1 59 PRO O O -10.845 -9.740 4.893 1.00 . A A . 59 PRO O 1 1 15 17977 1 1 60 THR C C -8.846 -12.441 7.238 1.00 . A A . 60 THR C 1 1 15 17978 1 1 60 THR CA C -9.698 -12.072 6.025 1.00 . A A . 60 THR CA 1 1 15 17979 1 1 60 THR CB C -9.971 -13.195 5.003 1.00 . A A . 60 THR CB 1 1 15 17980 1 1 60 THR CG2 C -8.742 -13.929 4.453 1.00 . A A . 60 THR CG2 1 1 15 17981 1 1 60 THR H H -8.073 -11.213 5.033 1.00 . A A . 60 THR H 1 1 15 17982 1 1 60 THR HA H -10.660 -11.716 6.400 1.00 . A A . 60 THR HA 1 1 15 17983 1 1 60 THR HB H -10.466 -12.730 4.147 1.00 . A A . 60 THR HB 1 1 15 17984 1 1 60 THR HG1 H -11.420 -14.368 4.711 1.00 . A A . 60 THR HG1 1 1 15 17985 1 1 60 THR HG21 H -9.057 -14.579 3.636 1.00 . A A . 60 THR HG21 1 1 15 17986 1 1 60 THR HG22 H -8.008 -13.226 4.061 1.00 . A A . 60 THR HG22 1 1 15 17987 1 1 60 THR HG23 H -8.291 -14.555 5.223 1.00 . A A . 60 THR HG23 1 1 15 17988 1 1 60 THR N N -9.031 -11.017 5.290 1.00 . A A . 60 THR N 1 1 15 17989 1 1 60 THR O O -9.305 -12.368 8.376 1.00 . A A . 60 THR O 1 1 15 17990 1 1 60 THR OG1 O -10.891 -14.134 5.477 1.00 . A A . 60 THR OG1 1 1 15 17991 1 1 61 LYS C C -5.362 -11.889 7.365 1.00 . A A . 61 LYS C 1 1 15 17992 1 1 61 LYS CA C -6.520 -12.666 7.996 1.00 . A A . 61 LYS CA 1 1 15 17993 1 1 61 LYS CB C -6.146 -14.077 8.475 1.00 . A A . 61 LYS CB 1 1 15 17994 1 1 61 LYS CD C -6.926 -16.120 9.700 1.00 . A A . 61 LYS CD 1 1 15 17995 1 1 61 LYS CE C -8.075 -16.760 10.495 1.00 . A A . 61 LYS CE 1 1 15 17996 1 1 61 LYS CG C -7.322 -14.721 9.219 1.00 . A A . 61 LYS CG 1 1 15 17997 1 1 61 LYS H H -7.266 -12.867 6.048 1.00 . A A . 61 LYS H 1 1 15 17998 1 1 61 LYS HA H -6.854 -12.085 8.858 1.00 . A A . 61 LYS HA 1 1 15 17999 1 1 61 LYS HB2 H -5.884 -14.710 7.627 1.00 . A A . 61 LYS HB2 1 1 15 18000 1 1 61 LYS HB3 H -5.291 -14.007 9.151 1.00 . A A . 61 LYS HB3 1 1 15 18001 1 1 61 LYS HD2 H -6.688 -16.717 8.818 1.00 . A A . 61 LYS HD2 1 1 15 18002 1 1 61 LYS HD3 H -6.034 -16.030 10.324 1.00 . A A . 61 LYS HD3 1 1 15 18003 1 1 61 LYS HE2 H -8.323 -16.119 11.344 1.00 . A A . 61 LYS HE2 1 1 15 18004 1 1 61 LYS HE3 H -8.955 -16.838 9.853 1.00 . A A . 61 LYS HE3 1 1 15 18005 1 1 61 LYS HG2 H -7.601 -14.089 10.065 1.00 . A A . 61 LYS HG2 1 1 15 18006 1 1 61 LYS HG3 H -8.179 -14.802 8.547 1.00 . A A . 61 LYS HG3 1 1 15 18007 1 1 61 LYS HZ1 H -7.506 -18.723 10.231 1.00 . A A . 61 LYS HZ1 1 1 15 18008 1 1 61 LYS HZ2 H -6.925 -18.049 11.617 1.00 . A A . 61 LYS HZ2 1 1 15 18009 1 1 61 LYS HZ3 H -8.503 -18.489 11.515 1.00 . A A . 61 LYS HZ3 1 1 15 18010 1 1 61 LYS N N -7.567 -12.745 6.999 1.00 . A A . 61 LYS N 1 1 15 18011 1 1 61 LYS NZ N -7.723 -18.104 11.000 1.00 . A A . 61 LYS NZ 1 1 15 18012 1 1 61 LYS O O -5.399 -10.661 7.339 1.00 . A A . 61 LYS O 1 1 15 18013 1 1 62 CYS C C -2.837 -12.542 4.915 1.00 . A A . 62 CYS C 1 1 15 18014 1 1 62 CYS CA C -3.111 -12.053 6.339 1.00 . A A . 62 CYS CA 1 1 15 18015 1 1 62 CYS CB C -1.992 -12.425 7.294 1.00 . A A . 62 CYS CB 1 1 15 18016 1 1 62 CYS H H -4.473 -13.595 6.787 1.00 . A A . 62 CYS H 1 1 15 18017 1 1 62 CYS HA H -3.199 -10.977 6.269 1.00 . A A . 62 CYS HA 1 1 15 18018 1 1 62 CYS HB2 H -1.714 -13.467 7.131 1.00 . A A . 62 CYS HB2 1 1 15 18019 1 1 62 CYS HB3 H -1.126 -11.791 7.100 1.00 . A A . 62 CYS HB3 1 1 15 18020 1 1 62 CYS N N -4.372 -12.600 6.822 1.00 . A A . 62 CYS N 1 1 15 18021 1 1 62 CYS O O -3.768 -12.732 4.136 1.00 . A A . 62 CYS O 1 1 15 18022 1 1 62 CYS SG S -2.445 -12.284 9.046 1.00 . A A . 62 CYS SG 1 1 15 18023 1 1 63 GLY C C -1.135 -12.477 2.146 1.00 . A A . 63 GLY C 1 1 15 18024 1 1 63 GLY CA C -1.166 -13.427 3.337 1.00 . A A . 63 GLY CA 1 1 15 18025 1 1 63 GLY H H -0.838 -12.439 5.191 1.00 . A A . 63 GLY H 1 1 15 18026 1 1 63 GLY HA2 H -0.170 -13.848 3.484 1.00 . A A . 63 GLY HA2 1 1 15 18027 1 1 63 GLY HA3 H -1.857 -14.245 3.125 1.00 . A A . 63 GLY HA3 1 1 15 18028 1 1 63 GLY N N -1.565 -12.731 4.555 1.00 . A A . 63 GLY N 1 1 15 18029 1 1 63 GLY O O -0.161 -12.450 1.401 1.00 . A A . 63 GLY O 1 1 15 18030 1 1 64 GLY C C -1.090 -9.965 0.526 1.00 . A A . 64 GLY C 1 1 15 18031 1 1 64 GLY CA C -2.379 -10.668 0.964 1.00 . A A . 64 GLY CA 1 1 15 18032 1 1 64 GLY H H -2.972 -11.848 2.636 1.00 . A A . 64 GLY H 1 1 15 18033 1 1 64 GLY HA2 H -2.854 -11.130 0.099 1.00 . A A . 64 GLY HA2 1 1 15 18034 1 1 64 GLY HA3 H -3.050 -9.909 1.372 1.00 . A A . 64 GLY HA3 1 1 15 18035 1 1 64 GLY N N -2.197 -11.677 2.002 1.00 . A A . 64 GLY N 1 1 15 18036 1 1 64 GLY O O -0.862 -9.775 -0.665 1.00 . A A . 64 GLY O 1 1 15 18037 1 1 65 CYS C C 2.157 -9.316 1.772 1.00 . A A . 65 CYS C 1 1 15 18038 1 1 65 CYS CA C 0.864 -8.658 1.284 1.00 . A A . 65 CYS CA 1 1 15 18039 1 1 65 CYS CB C 0.596 -7.355 1.992 1.00 . A A . 65 CYS CB 1 1 15 18040 1 1 65 CYS H H -0.556 -9.740 2.445 1.00 . A A . 65 CYS H 1 1 15 18041 1 1 65 CYS HA H 0.983 -8.443 0.221 1.00 . A A . 65 CYS HA 1 1 15 18042 1 1 65 CYS HB2 H 0.679 -7.546 3.059 1.00 . A A . 65 CYS HB2 1 1 15 18043 1 1 65 CYS HB3 H 1.333 -6.605 1.709 1.00 . A A . 65 CYS HB3 1 1 15 18044 1 1 65 CYS N N -0.279 -9.541 1.500 1.00 . A A . 65 CYS N 1 1 15 18045 1 1 65 CYS O O 3.171 -9.289 1.081 1.00 . A A . 65 CYS O 1 1 15 18046 1 1 65 CYS SG S -1.077 -6.760 1.568 1.00 . A A . 65 CYS SG 1 1 15 18047 1 1 66 HIS C C 3.379 -11.996 2.859 1.00 . A A . 66 HIS C 1 1 15 18048 1 1 66 HIS CA C 3.288 -10.619 3.514 1.00 . A A . 66 HIS CA 1 1 15 18049 1 1 66 HIS CB C 3.165 -10.760 5.034 1.00 . A A . 66 HIS CB 1 1 15 18050 1 1 66 HIS CD2 C 2.055 -8.944 6.427 1.00 . A A . 66 HIS CD2 1 1 15 18051 1 1 66 HIS CE1 C 3.632 -7.435 6.435 1.00 . A A . 66 HIS CE1 1 1 15 18052 1 1 66 HIS CG C 3.119 -9.440 5.735 1.00 . A A . 66 HIS CG 1 1 15 18053 1 1 66 HIS H H 1.295 -9.880 3.517 1.00 . A A . 66 HIS H 1 1 15 18054 1 1 66 HIS HA H 4.201 -10.054 3.317 1.00 . A A . 66 HIS HA 1 1 15 18055 1 1 66 HIS HB2 H 2.277 -11.343 5.277 1.00 . A A . 66 HIS HB2 1 1 15 18056 1 1 66 HIS HB3 H 4.020 -11.316 5.418 1.00 . A A . 66 HIS HB3 1 1 15 18057 1 1 66 HIS HD1 H 4.996 -8.549 5.229 1.00 . A A . 66 HIS HD1 1 1 15 18058 1 1 66 HIS HD2 H 1.104 -9.403 6.612 1.00 . A A . 66 HIS HD2 1 1 15 18059 1 1 66 HIS HE1 H 4.162 -6.517 6.620 1.00 . A A . 66 HIS HE1 1 1 15 18060 1 1 66 HIS N N 2.141 -9.902 2.975 1.00 . A A . 66 HIS N 1 1 15 18061 1 1 66 HIS ND1 N 4.107 -8.483 5.726 1.00 . A A . 66 HIS ND1 1 1 15 18062 1 1 66 HIS NE2 N 2.379 -7.671 6.868 1.00 . A A . 66 HIS NE2 1 1 15 18063 1 1 66 HIS O O 2.669 -12.911 3.269 1.00 . A A . 66 HIS O 1 1 15 18064 1 1 67 ILE C C 5.322 -14.301 2.225 1.00 . A A . 67 ILE C 1 1 15 18065 1 1 67 ILE CA C 4.542 -13.429 1.240 1.00 . A A . 67 ILE CA 1 1 15 18066 1 1 67 ILE CB C 5.288 -13.234 -0.097 1.00 . A A . 67 ILE CB 1 1 15 18067 1 1 67 ILE CD1 C 5.064 -10.892 -1.038 1.00 . A A . 67 ILE CD1 1 1 15 18068 1 1 67 ILE CG1 C 4.501 -12.311 -1.044 1.00 . A A . 67 ILE CG1 1 1 15 18069 1 1 67 ILE CG2 C 5.489 -14.581 -0.805 1.00 . A A . 67 ILE CG2 1 1 15 18070 1 1 67 ILE H H 4.794 -11.340 1.585 1.00 . A A . 67 ILE H 1 1 15 18071 1 1 67 ILE HA H 3.592 -13.919 1.019 1.00 . A A . 67 ILE HA 1 1 15 18072 1 1 67 ILE HB H 6.274 -12.803 0.089 1.00 . A A . 67 ILE HB 1 1 15 18073 1 1 67 ILE HD11 H 5.111 -10.501 -0.028 1.00 . A A . 67 ILE HD11 1 1 15 18074 1 1 67 ILE HD12 H 6.065 -10.887 -1.467 1.00 . A A . 67 ILE HD12 1 1 15 18075 1 1 67 ILE HD13 H 4.405 -10.258 -1.627 1.00 . A A . 67 ILE HD13 1 1 15 18076 1 1 67 ILE HG12 H 4.568 -12.673 -2.070 1.00 . A A . 67 ILE HG12 1 1 15 18077 1 1 67 ILE HG13 H 3.447 -12.289 -0.762 1.00 . A A . 67 ILE HG13 1 1 15 18078 1 1 67 ILE HG21 H 6.041 -14.423 -1.734 1.00 . A A . 67 ILE HG21 1 1 15 18079 1 1 67 ILE HG22 H 6.062 -15.269 -0.185 1.00 . A A . 67 ILE HG22 1 1 15 18080 1 1 67 ILE HG23 H 4.522 -15.027 -1.036 1.00 . A A . 67 ILE HG23 1 1 15 18081 1 1 67 ILE N N 4.272 -12.148 1.880 1.00 . A A . 67 ILE N 1 1 15 18082 1 1 67 ILE O O 6.553 -14.314 2.214 1.00 . A A . 67 ILE O 1 1 15 18083 1 1 68 LYS C C 3.937 -16.771 4.565 1.00 . A A . 68 LYS C 1 1 15 18084 1 1 68 LYS CA C 5.121 -15.938 4.072 1.00 . A A . 68 LYS CA 1 1 15 18085 1 1 68 LYS CB C 5.767 -15.156 5.221 1.00 . A A . 68 LYS CB 1 1 15 18086 1 1 68 LYS CD C 7.294 -15.102 7.167 1.00 . A A . 68 LYS CD 1 1 15 18087 1 1 68 LYS CE C 8.367 -15.793 8.009 1.00 . A A . 68 LYS CE 1 1 15 18088 1 1 68 LYS CG C 6.688 -16.015 6.096 1.00 . A A . 68 LYS CG 1 1 15 18089 1 1 68 LYS H H 3.585 -14.907 3.109 1.00 . A A . 68 LYS H 1 1 15 18090 1 1 68 LYS HA H 5.852 -16.591 3.595 1.00 . A A . 68 LYS HA 1 1 15 18091 1 1 68 LYS HB2 H 6.365 -14.346 4.805 1.00 . A A . 68 LYS HB2 1 1 15 18092 1 1 68 LYS HB3 H 4.971 -14.727 5.831 1.00 . A A . 68 LYS HB3 1 1 15 18093 1 1 68 LYS HD2 H 7.748 -14.245 6.666 1.00 . A A . 68 LYS HD2 1 1 15 18094 1 1 68 LYS HD3 H 6.479 -14.753 7.806 1.00 . A A . 68 LYS HD3 1 1 15 18095 1 1 68 LYS HE2 H 7.951 -16.695 8.464 1.00 . A A . 68 LYS HE2 1 1 15 18096 1 1 68 LYS HE3 H 9.196 -16.079 7.358 1.00 . A A . 68 LYS HE3 1 1 15 18097 1 1 68 LYS HG2 H 6.111 -16.818 6.559 1.00 . A A . 68 LYS HG2 1 1 15 18098 1 1 68 LYS HG3 H 7.468 -16.448 5.470 1.00 . A A . 68 LYS HG3 1 1 15 18099 1 1 68 LYS HZ1 H 9.128 -13.980 8.684 1.00 . A A . 68 LYS HZ1 1 1 15 18100 1 1 68 LYS HZ2 H 8.133 -14.728 9.745 1.00 . A A . 68 LYS HZ2 1 1 15 18101 1 1 68 LYS HZ3 H 9.661 -15.298 9.530 1.00 . A A . 68 LYS HZ3 1 1 15 18102 1 1 68 LYS N N 4.600 -15.003 3.094 1.00 . A A . 68 LYS N 1 1 15 18103 1 1 68 LYS NZ N 8.863 -14.889 9.067 1.00 . A A . 68 LYS NZ 1 1 15 18104 1 1 68 LYS O O 2.797 -16.377 4.227 1.00 . A A . 68 LYS O 1 1 15 18105 1 1 68 LYS OXT O 4.191 -17.769 5.273 1.00 . A A . 68 LYS OXT 1 1 15 18106 2 2 1 HEC C1A C 7.494 8.263 -3.272 1.00 . B A . 69 HEC C1A 1 1 15 18107 2 2 1 HEC C1B C 5.054 9.661 -6.477 1.00 . B A . 69 HEC C1B 1 1 15 18108 2 2 1 HEC C1C C 2.035 6.830 -5.401 1.00 . B A . 69 HEC C1C 1 1 15 18109 2 2 1 HEC C1D C 4.213 5.953 -1.858 1.00 . B A . 69 HEC C1D 1 1 15 18110 2 2 1 HEC C2A C 8.669 9.026 -3.633 1.00 . B A . 69 HEC C2A 1 1 15 18111 2 2 1 HEC C2B C 4.386 10.178 -7.648 1.00 . B A . 69 HEC C2B 1 1 15 18112 2 2 1 HEC C2C C 0.858 6.060 -5.074 1.00 . B A . 69 HEC C2C 1 1 15 18113 2 2 1 HEC C2D C 4.874 5.449 -0.680 1.00 . B A . 69 HEC C2D 1 1 15 18114 2 2 1 HEC C3A C 8.294 9.879 -4.639 1.00 . B A . 69 HEC C3A 1 1 15 18115 2 2 1 HEC C3B C 3.233 9.448 -7.815 1.00 . B A . 69 HEC C3B 1 1 15 18116 2 2 1 HEC C3C C 1.028 5.578 -3.794 1.00 . B A . 69 HEC C3C 1 1 15 18117 2 2 1 HEC C3D C 6.166 5.909 -0.717 1.00 . B A . 69 HEC C3D 1 1 15 18118 2 2 1 HEC C4A C 6.930 9.553 -4.980 1.00 . B A . 69 HEC C4A 1 1 15 18119 2 2 1 HEC C4B C 3.210 8.444 -6.769 1.00 . B A . 69 HEC C4B 1 1 15 18120 2 2 1 HEC C4C C 2.356 5.981 -3.381 1.00 . B A . 69 HEC C4C 1 1 15 18121 2 2 1 HEC C4D C 6.287 6.726 -1.897 1.00 . B A . 69 HEC C4D 1 1 15 18122 2 2 1 HEC CAA C 10.083 8.845 -3.120 1.00 . B A . 69 HEC CAA 1 1 15 18123 2 2 1 HEC CAB C 2.057 9.858 -8.679 1.00 . B A . 69 HEC CAB 1 1 15 18124 2 2 1 HEC CAC C -0.038 4.937 -2.912 1.00 . B A . 69 HEC CAC 1 1 15 18125 2 2 1 HEC CAD C 7.263 5.609 0.278 1.00 . B A . 69 HEC CAD 1 1 15 18126 2 2 1 HEC CBA C 10.624 10.013 -2.293 1.00 . B A . 69 HEC CBA 1 1 15 18127 2 2 1 HEC CBB C 2.377 10.164 -10.149 1.00 . B A . 69 HEC CBB 1 1 15 18128 2 2 1 HEC CBC C -0.442 3.517 -3.314 1.00 . B A . 69 HEC CBC 1 1 15 18129 2 2 1 HEC CBD C 7.917 4.243 0.063 1.00 . B A . 69 HEC CBD 1 1 15 18130 2 2 1 HEC CGA C 12.098 9.788 -1.942 1.00 . B A . 69 HEC CGA 1 1 15 18131 2 2 1 HEC CGD C 9.363 4.272 0.539 1.00 . B A . 69 HEC CGD 1 1 15 18132 2 2 1 HEC CHA C 7.445 7.373 -2.234 1.00 . B A . 69 HEC CHA 1 1 15 18133 2 2 1 HEC CHB C 6.264 10.138 -6.020 1.00 . B A . 69 HEC CHB 1 1 15 18134 2 2 1 HEC CHC C 2.155 7.572 -6.553 1.00 . B A . 69 HEC CHC 1 1 15 18135 2 2 1 HEC CHD C 2.928 5.613 -2.186 1.00 . B A . 69 HEC CHD 1 1 15 18136 2 2 1 HEC CMA C 9.176 10.889 -5.339 1.00 . B A . 69 HEC CMA 1 1 15 18137 2 2 1 HEC CMB C 4.840 11.324 -8.531 1.00 . B A . 69 HEC CMB 1 1 15 18138 2 2 1 HEC CMC C -0.378 5.947 -5.937 1.00 . B A . 69 HEC CMC 1 1 15 18139 2 2 1 HEC CMD C 4.273 4.529 0.353 1.00 . B A . 69 HEC CMD 1 1 15 18140 2 2 1 HEC FE FE 4.690 7.687 -4.283 1.00 . B A . 69 HEC FE 1 1 15 18141 2 2 1 HEC HAA1 H 10.177 7.939 -2.522 1.00 . B A . 69 HEC HAA1 1 1 15 18142 2 2 1 HEC HAA2 H 10.745 8.717 -3.979 1.00 . B A . 69 HEC HAA2 1 1 15 18143 2 2 1 HEC HAB H 1.336 9.050 -8.706 1.00 . B A . 69 HEC HAB 1 1 15 18144 2 2 1 HEC HAC H 0.311 4.868 -1.886 1.00 . B A . 69 HEC HAC 1 1 15 18145 2 2 1 HEC HAD1 H 8.041 6.365 0.240 1.00 . B A . 69 HEC HAD1 1 1 15 18146 2 2 1 HEC HAD2 H 6.877 5.647 1.282 1.00 . B A . 69 HEC HAD2 1 1 15 18147 2 2 1 HEC HBA1 H 10.513 10.948 -2.842 1.00 . B A . 69 HEC HBA1 1 1 15 18148 2 2 1 HEC HBA2 H 10.037 10.090 -1.383 1.00 . B A . 69 HEC HBA2 1 1 15 18149 2 2 1 HEC HBB1 H 2.815 11.153 -10.263 1.00 . B A . 69 HEC HBB1 1 1 15 18150 2 2 1 HEC HBB2 H 3.058 9.410 -10.544 1.00 . B A . 69 HEC HBB2 1 1 15 18151 2 2 1 HEC HBB3 H 1.458 10.134 -10.735 1.00 . B A . 69 HEC HBB3 1 1 15 18152 2 2 1 HEC HBC1 H 0.441 2.928 -3.567 1.00 . B A . 69 HEC HBC1 1 1 15 18153 2 2 1 HEC HBC2 H -0.956 3.036 -2.482 1.00 . B A . 69 HEC HBC2 1 1 15 18154 2 2 1 HEC HBC3 H -1.123 3.537 -4.161 1.00 . B A . 69 HEC HBC3 1 1 15 18155 2 2 1 HEC HBD1 H 7.350 3.503 0.624 1.00 . B A . 69 HEC HBD1 1 1 15 18156 2 2 1 HEC HBD2 H 7.899 3.988 -0.998 1.00 . B A . 69 HEC HBD2 1 1 15 18157 2 2 1 HEC HHA H 8.313 7.207 -1.625 1.00 . B A . 69 HEC HHA 1 1 15 18158 2 2 1 HEC HHB H 6.747 10.952 -6.514 1.00 . B A . 69 HEC HHB 1 1 15 18159 2 2 1 HEC HHC H 1.337 7.535 -7.244 1.00 . B A . 69 HEC HHC 1 1 15 18160 2 2 1 HEC HHD H 2.389 4.964 -1.526 1.00 . B A . 69 HEC HHD 1 1 15 18161 2 2 1 HEC HMA1 H 9.060 10.804 -6.418 1.00 . B A . 69 HEC HMA1 1 1 15 18162 2 2 1 HEC HMA2 H 8.903 11.891 -5.011 1.00 . B A . 69 HEC HMA2 1 1 15 18163 2 2 1 HEC HMA3 H 10.223 10.716 -5.098 1.00 . B A . 69 HEC HMA3 1 1 15 18164 2 2 1 HEC HMB1 H 5.731 11.819 -8.159 1.00 . B A . 69 HEC HMB1 1 1 15 18165 2 2 1 HEC HMB2 H 5.047 10.945 -9.530 1.00 . B A . 69 HEC HMB2 1 1 15 18166 2 2 1 HEC HMB3 H 4.044 12.066 -8.572 1.00 . B A . 69 HEC HMB3 1 1 15 18167 2 2 1 HEC HMC1 H -0.073 5.596 -6.914 1.00 . B A . 69 HEC HMC1 1 1 15 18168 2 2 1 HEC HMC2 H -1.105 5.244 -5.540 1.00 . B A . 69 HEC HMC2 1 1 15 18169 2 2 1 HEC HMC3 H -0.856 6.922 -6.025 1.00 . B A . 69 HEC HMC3 1 1 15 18170 2 2 1 HEC HMD1 H 3.293 4.894 0.654 1.00 . B A . 69 HEC HMD1 1 1 15 18171 2 2 1 HEC HMD2 H 4.173 3.534 -0.079 1.00 . B A . 69 HEC HMD2 1 1 15 18172 2 2 1 HEC HMD3 H 4.913 4.483 1.230 1.00 . B A . 69 HEC HMD3 1 1 15 18173 2 2 1 HEC NA N 6.494 8.590 -4.142 1.00 . B A . 69 HEC NA 1 1 15 18174 2 2 1 HEC NB N 4.309 8.640 -5.978 1.00 . B A . 69 HEC NB 1 1 15 18175 2 2 1 HEC NC N 2.903 6.750 -4.368 1.00 . B A . 69 HEC NC 1 1 15 18176 2 2 1 HEC ND N 5.090 6.739 -2.535 1.00 . B A . 69 HEC ND 1 1 15 18177 2 2 1 HEC O1A O 12.345 8.941 -1.055 1.00 . B A . 69 HEC O1A 1 1 15 18178 2 2 1 HEC O1D O 10.212 4.862 -0.170 1.00 . B A . 69 HEC O1D 1 1 15 18179 2 2 1 HEC O2A O 12.947 10.440 -2.587 1.00 . B A . 69 HEC O2A 1 1 15 18180 2 2 1 HEC O2D O 9.641 3.874 1.694 1.00 . B A . 69 HEC O2D 1 1 15 18181 3 2 1 HEC C1A C -2.368 -4.590 -4.963 1.00 . C A . 70 HEC C1A 1 1 15 18182 3 2 1 HEC C1B C -0.608 -2.624 -1.591 1.00 . C A . 70 HEC C1B 1 1 15 18183 3 2 1 HEC C1C C -3.141 0.751 -2.210 1.00 . C A . 70 HEC C1C 1 1 15 18184 3 2 1 HEC C1D C -4.837 -1.183 -5.624 1.00 . C A . 70 HEC C1D 1 1 15 18185 3 2 1 HEC C2A C -1.614 -5.819 -4.828 1.00 . C A . 70 HEC C2A 1 1 15 18186 3 2 1 HEC C2B C 0.068 -2.114 -0.426 1.00 . C A . 70 HEC C2B 1 1 15 18187 3 2 1 HEC C2C C -3.959 1.939 -2.281 1.00 . C A . 70 HEC C2C 1 1 15 18188 3 2 1 HEC C2D C -5.466 -1.637 -6.835 1.00 . C A . 70 HEC C2D 1 1 15 18189 3 2 1 HEC C3A C -0.854 -5.702 -3.689 1.00 . C A . 70 HEC C3A 1 1 15 18190 3 2 1 HEC C3B C -0.386 -0.832 -0.218 1.00 . C A . 70 HEC C3B 1 1 15 18191 3 2 1 HEC C3C C -4.869 1.735 -3.290 1.00 . C A . 70 HEC C3C 1 1 15 18192 3 2 1 HEC C3D C -4.927 -2.866 -7.136 1.00 . C A . 70 HEC C3D 1 1 15 18193 3 2 1 HEC C4A C -1.083 -4.383 -3.154 1.00 . C A . 70 HEC C4A 1 1 15 18194 3 2 1 HEC C4B C -1.362 -0.562 -1.253 1.00 . C A . 70 HEC C4B 1 1 15 18195 3 2 1 HEC C4C C -4.504 0.497 -3.938 1.00 . C A . 70 HEC C4C 1 1 15 18196 3 2 1 HEC C4D C -3.981 -3.178 -6.080 1.00 . C A . 70 HEC C4D 1 1 15 18197 3 2 1 HEC CAA C -1.663 -7.038 -5.727 1.00 . C A . 70 HEC CAA 1 1 15 18198 3 2 1 HEC CAB C 0.002 0.087 0.926 1.00 . C A . 70 HEC CAB 1 1 15 18199 3 2 1 HEC CAC C -6.146 2.522 -3.534 1.00 . C A . 70 HEC CAC 1 1 15 18200 3 2 1 HEC CAD C -5.268 -3.700 -8.357 1.00 . C A . 70 HEC CAD 1 1 15 18201 3 2 1 HEC CBA C -2.570 -8.148 -5.182 1.00 . C A . 70 HEC CBA 1 1 15 18202 3 2 1 HEC CBB C 1.443 0.598 0.797 1.00 . C A . 70 HEC CBB 1 1 15 18203 3 2 1 HEC CBC C -5.940 3.851 -4.247 1.00 . C A . 70 HEC CBC 1 1 15 18204 3 2 1 HEC CBD C -4.778 -3.107 -9.690 1.00 . C A . 70 HEC CBD 1 1 15 18205 3 2 1 HEC CGA C -2.544 -9.403 -6.062 1.00 . C A . 70 HEC CGA 1 1 15 18206 3 2 1 HEC CGD C -3.253 -2.978 -9.813 1.00 . C A . 70 HEC CGD 1 1 15 18207 3 2 1 HEC CHA C -3.264 -4.349 -5.982 1.00 . C A . 70 HEC CHA 1 1 15 18208 3 2 1 HEC CHB C -0.432 -3.910 -2.036 1.00 . C A . 70 HEC CHB 1 1 15 18209 3 2 1 HEC CHC C -2.155 0.564 -1.274 1.00 . C A . 70 HEC CHC 1 1 15 18210 3 2 1 HEC CHD C -5.137 0.024 -5.058 1.00 . C A . 70 HEC CHD 1 1 15 18211 3 2 1 HEC CMA C 0.083 -6.741 -3.116 1.00 . C A . 70 HEC CMA 1 1 15 18212 3 2 1 HEC CMB C 0.960 -2.929 0.483 1.00 . C A . 70 HEC CMB 1 1 15 18213 3 2 1 HEC CMC C -3.829 3.191 -1.439 1.00 . C A . 70 HEC CMC 1 1 15 18214 3 2 1 HEC CMD C -6.461 -0.841 -7.649 1.00 . C A . 70 HEC CMD 1 1 15 18215 3 2 1 HEC FE FE -2.709 -1.893 -3.629 1.00 . C A . 70 HEC FE 1 1 15 18216 3 2 1 HEC HAA1 H -1.999 -6.775 -6.728 1.00 . C A . 70 HEC HAA1 1 1 15 18217 3 2 1 HEC HAA2 H -0.657 -7.443 -5.842 1.00 . C A . 70 HEC HAA2 1 1 15 18218 3 2 1 HEC HAB H -0.620 0.976 0.938 1.00 . C A . 70 HEC HAB 1 1 15 18219 3 2 1 HEC HAC H -6.807 1.951 -4.180 1.00 . C A . 70 HEC HAC 1 1 15 18220 3 2 1 HEC HAD1 H -4.839 -4.696 -8.273 1.00 . C A . 70 HEC HAD1 1 1 15 18221 3 2 1 HEC HAD2 H -6.350 -3.814 -8.407 1.00 . C A . 70 HEC HAD2 1 1 15 18222 3 2 1 HEC HBA1 H -2.240 -8.419 -4.179 1.00 . C A . 70 HEC HBA1 1 1 15 18223 3 2 1 HEC HBA2 H -3.588 -7.762 -5.115 1.00 . C A . 70 HEC HBA2 1 1 15 18224 3 2 1 HEC HBB1 H 1.552 1.136 -0.147 1.00 . C A . 70 HEC HBB1 1 1 15 18225 3 2 1 HEC HBB2 H 1.677 1.281 1.611 1.00 . C A . 70 HEC HBB2 1 1 15 18226 3 2 1 HEC HBB3 H 2.160 -0.219 0.806 1.00 . C A . 70 HEC HBB3 1 1 15 18227 3 2 1 HEC HBC1 H -5.392 4.558 -3.629 1.00 . C A . 70 HEC HBC1 1 1 15 18228 3 2 1 HEC HBC2 H -5.381 3.640 -5.157 1.00 . C A . 70 HEC HBC2 1 1 15 18229 3 2 1 HEC HBC3 H -6.907 4.280 -4.509 1.00 . C A . 70 HEC HBC3 1 1 15 18230 3 2 1 HEC HBD1 H -5.130 -3.758 -10.493 1.00 . C A . 70 HEC HBD1 1 1 15 18231 3 2 1 HEC HBD2 H -5.225 -2.124 -9.838 1.00 . C A . 70 HEC HBD2 1 1 15 18232 3 2 1 HEC HHA H -3.364 -5.078 -6.763 1.00 . C A . 70 HEC HHA 1 1 15 18233 3 2 1 HEC HHB H 0.235 -4.561 -1.492 1.00 . C A . 70 HEC HHB 1 1 15 18234 3 2 1 HEC HHC H -2.080 1.278 -0.476 1.00 . C A . 70 HEC HHC 1 1 15 18235 3 2 1 HEC HHD H -5.867 0.641 -5.541 1.00 . C A . 70 HEC HHD 1 1 15 18236 3 2 1 HEC HMA1 H 1.099 -6.348 -3.109 1.00 . C A . 70 HEC HMA1 1 1 15 18237 3 2 1 HEC HMA2 H -0.228 -6.987 -2.100 1.00 . C A . 70 HEC HMA2 1 1 15 18238 3 2 1 HEC HMA3 H 0.062 -7.654 -3.709 1.00 . C A . 70 HEC HMA3 1 1 15 18239 3 2 1 HEC HMB1 H 1.650 -3.522 -0.109 1.00 . C A . 70 HEC HMB1 1 1 15 18240 3 2 1 HEC HMB2 H 1.531 -2.294 1.153 1.00 . C A . 70 HEC HMB2 1 1 15 18241 3 2 1 HEC HMB3 H 0.333 -3.597 1.070 1.00 . C A . 70 HEC HMB3 1 1 15 18242 3 2 1 HEC HMC1 H -2.859 3.258 -0.952 1.00 . C A . 70 HEC HMC1 1 1 15 18243 3 2 1 HEC HMC2 H -3.936 4.073 -2.065 1.00 . C A . 70 HEC HMC2 1 1 15 18244 3 2 1 HEC HMC3 H -4.608 3.202 -0.677 1.00 . C A . 70 HEC HMC3 1 1 15 18245 3 2 1 HEC HMD1 H -7.238 -0.437 -7.000 1.00 . C A . 70 HEC HMD1 1 1 15 18246 3 2 1 HEC HMD2 H -5.935 -0.008 -8.119 1.00 . C A . 70 HEC HMD2 1 1 15 18247 3 2 1 HEC HMD3 H -6.924 -1.462 -8.413 1.00 . C A . 70 HEC HMD3 1 1 15 18248 3 2 1 HEC NA N -2.003 -3.752 -3.937 1.00 . C A . 70 HEC NA 1 1 15 18249 3 2 1 HEC NB N -1.445 -1.659 -2.062 1.00 . C A . 70 HEC NB 1 1 15 18250 3 2 1 HEC NC N -3.500 -0.078 -3.228 1.00 . C A . 70 HEC NC 1 1 15 18251 3 2 1 HEC ND N -3.974 -2.128 -5.204 1.00 . C A . 70 HEC ND 1 1 15 18252 3 2 1 HEC O1A O -1.422 -9.886 -6.335 1.00 . C A . 70 HEC O1A 1 1 15 18253 3 2 1 HEC O1D O -2.550 -3.443 -8.889 1.00 . C A . 70 HEC O1D 1 1 15 18254 3 2 1 HEC O2A O -3.643 -9.863 -6.442 1.00 . C A . 70 HEC O2A 1 1 15 18255 3 2 1 HEC O2D O -2.817 -2.411 -10.842 1.00 . C A . 70 HEC O2D 1 1 15 18256 4 2 1 HEC C1A C 3.262 -5.431 9.645 1.00 . D A . 71 HEC C1A 1 1 15 18257 4 2 1 HEC C1B C 0.599 -8.735 9.864 1.00 . D A . 71 HEC C1B 1 1 15 18258 4 2 1 HEC C1C C -1.121 -7.496 6.161 1.00 . D A . 71 HEC C1C 1 1 15 18259 4 2 1 HEC C1D C 1.853 -4.470 5.737 1.00 . D A . 71 HEC C1D 1 1 15 18260 4 2 1 HEC C2A C 3.915 -5.664 10.908 1.00 . D A . 71 HEC C2A 1 1 15 18261 4 2 1 HEC C2B C -0.320 -9.812 10.132 1.00 . D A . 71 HEC C2B 1 1 15 18262 4 2 1 HEC C2C C -1.746 -7.299 4.877 1.00 . D A . 71 HEC C2C 1 1 15 18263 4 2 1 HEC C2D C 2.783 -3.388 5.494 1.00 . D A . 71 HEC C2D 1 1 15 18264 4 2 1 HEC C3A C 3.323 -6.759 11.477 1.00 . D A . 71 HEC C3A 1 1 15 18265 4 2 1 HEC C3B C -1.294 -9.764 9.162 1.00 . D A . 71 HEC C3B 1 1 15 18266 4 2 1 HEC C3C C -1.114 -6.234 4.273 1.00 . D A . 71 HEC C3C 1 1 15 18267 4 2 1 HEC C3D C 3.562 -3.270 6.617 1.00 . D A . 71 HEC C3D 1 1 15 18268 4 2 1 HEC C4A C 2.380 -7.276 10.513 1.00 . D A . 71 HEC C4A 1 1 15 18269 4 2 1 HEC C4B C -0.877 -8.750 8.212 1.00 . D A . 71 HEC C4B 1 1 15 18270 4 2 1 HEC C4C C -0.017 -5.859 5.145 1.00 . D A . 71 HEC C4C 1 1 15 18271 4 2 1 HEC C4D C 3.079 -4.246 7.564 1.00 . D A . 71 HEC C4D 1 1 15 18272 4 2 1 HEC CAA C 5.211 -5.056 11.378 1.00 . D A . 71 HEC CAA 1 1 15 18273 4 2 1 HEC CAB C -2.631 -10.490 9.192 1.00 . D A . 71 HEC CAB 1 1 15 18274 4 2 1 HEC CAC C -1.451 -5.615 2.924 1.00 . D A . 71 HEC CAC 1 1 15 18275 4 2 1 HEC CAD C 4.626 -2.226 6.887 1.00 . D A . 71 HEC CAD 1 1 15 18276 4 2 1 HEC CBA C 6.380 -5.903 10.883 1.00 . D A . 71 HEC CBA 1 1 15 18277 4 2 1 HEC CBB C -3.471 -10.170 10.432 1.00 . D A . 71 HEC CBB 1 1 15 18278 4 2 1 HEC CBC C -2.895 -5.117 2.789 1.00 . D A . 71 HEC CBC 1 1 15 18279 4 2 1 HEC CBD C 6.025 -2.735 7.302 1.00 . D A . 71 HEC CBD 1 1 15 18280 4 2 1 HEC CGA C 7.613 -5.796 11.762 1.00 . D A . 71 HEC CGA 1 1 15 18281 4 2 1 HEC CGD C 6.526 -2.201 8.660 1.00 . D A . 71 HEC CGD 1 1 15 18282 4 2 1 HEC CHA C 3.611 -4.417 8.805 1.00 . D A . 71 HEC CHA 1 1 15 18283 4 2 1 HEC CHB C 1.611 -8.392 10.728 1.00 . D A . 71 HEC CHB 1 1 15 18284 4 2 1 HEC CHC C -1.528 -8.481 7.028 1.00 . D A . 71 HEC CHC 1 1 15 18285 4 2 1 HEC CHD C 0.903 -4.878 4.833 1.00 . D A . 71 HEC CHD 1 1 15 18286 4 2 1 HEC CMA C 3.575 -7.233 12.892 1.00 . D A . 71 HEC CMA 1 1 15 18287 4 2 1 HEC CMB C -0.246 -10.751 11.316 1.00 . D A . 71 HEC CMB 1 1 15 18288 4 2 1 HEC CMC C -2.823 -8.189 4.295 1.00 . D A . 71 HEC CMC 1 1 15 18289 4 2 1 HEC CMD C 2.875 -2.535 4.248 1.00 . D A . 71 HEC CMD 1 1 15 18290 4 2 1 HEC FE FE 1.151 -6.529 7.874 1.00 . D A . 71 HEC FE 1 1 15 18291 4 2 1 HEC HAA1 H 5.345 -4.051 11.001 1.00 . D A . 71 HEC HAA1 1 1 15 18292 4 2 1 HEC HAA2 H 5.222 -5.012 12.467 1.00 . D A . 71 HEC HAA2 1 1 15 18293 4 2 1 HEC HAB H -3.242 -10.172 8.355 1.00 . D A . 71 HEC HAB 1 1 15 18294 4 2 1 HEC HAC H -0.843 -4.733 2.757 1.00 . D A . 71 HEC HAC 1 1 15 18295 4 2 1 HEC HAD1 H 4.754 -1.554 6.041 1.00 . D A . 71 HEC HAD1 1 1 15 18296 4 2 1 HEC HAD2 H 4.198 -1.662 7.700 1.00 . D A . 71 HEC HAD2 1 1 15 18297 4 2 1 HEC HBA1 H 6.050 -6.932 10.957 1.00 . D A . 71 HEC HBA1 1 1 15 18298 4 2 1 HEC HBA2 H 6.611 -5.684 9.838 1.00 . D A . 71 HEC HBA2 1 1 15 18299 4 2 1 HEC HBB1 H -2.991 -10.534 11.339 1.00 . D A . 71 HEC HBB1 1 1 15 18300 4 2 1 HEC HBB2 H -3.611 -9.091 10.506 1.00 . D A . 71 HEC HBB2 1 1 15 18301 4 2 1 HEC HBB3 H -4.449 -10.644 10.336 1.00 . D A . 71 HEC HBB3 1 1 15 18302 4 2 1 HEC HBC1 H -3.032 -4.671 1.802 1.00 . D A . 71 HEC HBC1 1 1 15 18303 4 2 1 HEC HBC2 H -3.611 -5.928 2.901 1.00 . D A . 71 HEC HBC2 1 1 15 18304 4 2 1 HEC HBC3 H -3.086 -4.361 3.548 1.00 . D A . 71 HEC HBC3 1 1 15 18305 4 2 1 HEC HBD1 H 5.989 -3.821 7.366 1.00 . D A . 71 HEC HBD1 1 1 15 18306 4 2 1 HEC HBD2 H 6.730 -2.450 6.522 1.00 . D A . 71 HEC HBD2 1 1 15 18307 4 2 1 HEC HHA H 4.373 -3.737 9.112 1.00 . D A . 71 HEC HHA 1 1 15 18308 4 2 1 HEC HHB H 1.742 -8.970 11.623 1.00 . D A . 71 HEC HHB 1 1 15 18309 4 2 1 HEC HHC H -2.351 -9.094 6.729 1.00 . D A . 71 HEC HHC 1 1 15 18310 4 2 1 HEC HHD H 0.876 -4.417 3.859 1.00 . D A . 71 HEC HHD 1 1 15 18311 4 2 1 HEC HMA1 H 3.211 -8.240 13.071 1.00 . D A . 71 HEC HMA1 1 1 15 18312 4 2 1 HEC HMA2 H 4.642 -7.189 13.098 1.00 . D A . 71 HEC HMA2 1 1 15 18313 4 2 1 HEC HMA3 H 3.062 -6.553 13.573 1.00 . D A . 71 HEC HMA3 1 1 15 18314 4 2 1 HEC HMB1 H -0.919 -11.595 11.187 1.00 . D A . 71 HEC HMB1 1 1 15 18315 4 2 1 HEC HMB2 H 0.767 -11.143 11.403 1.00 . D A . 71 HEC HMB2 1 1 15 18316 4 2 1 HEC HMB3 H -0.514 -10.214 12.225 1.00 . D A . 71 HEC HMB3 1 1 15 18317 4 2 1 HEC HMC1 H -2.550 -9.234 4.450 1.00 . D A . 71 HEC HMC1 1 1 15 18318 4 2 1 HEC HMC2 H -3.770 -7.987 4.795 1.00 . D A . 71 HEC HMC2 1 1 15 18319 4 2 1 HEC HMC3 H -2.927 -8.027 3.226 1.00 . D A . 71 HEC HMC3 1 1 15 18320 4 2 1 HEC HMD1 H 3.584 -2.999 3.573 1.00 . D A . 71 HEC HMD1 1 1 15 18321 4 2 1 HEC HMD2 H 1.910 -2.445 3.755 1.00 . D A . 71 HEC HMD2 1 1 15 18322 4 2 1 HEC HMD3 H 3.218 -1.529 4.489 1.00 . D A . 71 HEC HMD3 1 1 15 18323 4 2 1 HEC NA N 2.357 -6.424 9.451 1.00 . D A . 71 HEC NA 1 1 15 18324 4 2 1 HEC NB N 0.236 -8.136 8.701 1.00 . D A . 71 HEC NB 1 1 15 18325 4 2 1 HEC NC N -0.097 -6.621 6.285 1.00 . D A . 71 HEC NC 1 1 15 18326 4 2 1 HEC ND N 2.084 -4.954 6.988 1.00 . D A . 71 HEC ND 1 1 15 18327 4 2 1 HEC O1A O 8.164 -6.892 12.035 1.00 . D A . 71 HEC O1A 1 1 15 18328 4 2 1 HEC O1D O 5.678 -1.889 9.526 1.00 . D A . 71 HEC O1D 1 1 15 18329 4 2 1 HEC O2A O 7.915 -4.660 12.191 1.00 . D A . 71 HEC O2A 1 1 15 18330 4 2 1 HEC O2D O 7.740 -2.195 8.959 1.00 . D A . 71 HEC O2D 1 1 16 18331 1 1 1 ALA C C 9.829 2.369 -7.672 1.00 . A A . 1 ALA C 1 1 16 18332 1 1 1 ALA CA C 11.293 2.361 -7.239 1.00 . A A . 1 ALA CA 1 1 16 18333 1 1 1 ALA CB C 12.095 3.501 -7.879 1.00 . A A . 1 ALA CB 1 1 16 18334 1 1 1 ALA H1 H 11.681 0.794 -8.526 1.00 . A A . 1 ALA H1 1 1 16 18335 1 1 1 ALA H2 H 12.861 1.004 -7.371 1.00 . A A . 1 ALA H2 1 1 16 18336 1 1 1 ALA H3 H 11.396 0.335 -6.992 1.00 . A A . 1 ALA H3 1 1 16 18337 1 1 1 ALA HA H 11.329 2.499 -6.158 1.00 . A A . 1 ALA HA 1 1 16 18338 1 1 1 ALA HB1 H 13.102 3.522 -7.460 1.00 . A A . 1 ALA HB1 1 1 16 18339 1 1 1 ALA HB2 H 12.166 3.374 -8.960 1.00 . A A . 1 ALA HB2 1 1 16 18340 1 1 1 ALA HB3 H 11.609 4.453 -7.663 1.00 . A A . 1 ALA HB3 1 1 16 18341 1 1 1 ALA N N 11.872 1.040 -7.551 1.00 . A A . 1 ALA N 1 1 16 18342 1 1 1 ALA O O 8.942 2.294 -6.835 1.00 . A A . 1 ALA O 1 1 16 18343 1 1 2 ASP C C 7.912 0.498 -8.880 1.00 . A A . 2 ASP C 1 1 16 18344 1 1 2 ASP CA C 8.518 1.670 -9.663 1.00 . A A . 2 ASP CA 1 1 16 18345 1 1 2 ASP CB C 9.054 1.187 -11.023 1.00 . A A . 2 ASP CB 1 1 16 18346 1 1 2 ASP CG C 10.248 0.232 -10.927 1.00 . A A . 2 ASP CG 1 1 16 18347 1 1 2 ASP H H 10.375 2.522 -9.610 1.00 . A A . 2 ASP H 1 1 16 18348 1 1 2 ASP HA H 7.732 2.404 -9.804 1.00 . A A . 2 ASP HA 1 1 16 18349 1 1 2 ASP HB2 H 8.252 0.669 -11.549 1.00 . A A . 2 ASP HB2 1 1 16 18350 1 1 2 ASP HB3 H 9.353 2.047 -11.622 1.00 . A A . 2 ASP HB3 1 1 16 18351 1 1 2 ASP N N 9.600 2.367 -8.988 1.00 . A A . 2 ASP N 1 1 16 18352 1 1 2 ASP O O 6.693 0.418 -8.763 1.00 . A A . 2 ASP O 1 1 16 18353 1 1 2 ASP OD1 O 10.893 0.201 -9.848 1.00 . A A . 2 ASP OD1 1 1 16 18354 1 1 2 ASP OD2 O 10.510 -0.433 -11.946 1.00 . A A . 2 ASP OD2 1 1 16 18355 1 1 3 VAL C C 9.223 -1.163 -6.112 1.00 . A A . 3 VAL C 1 1 16 18356 1 1 3 VAL CA C 8.350 -1.380 -7.349 1.00 . A A . 3 VAL CA 1 1 16 18357 1 1 3 VAL CB C 8.491 -2.801 -7.926 1.00 . A A . 3 VAL CB 1 1 16 18358 1 1 3 VAL CG1 C 8.005 -3.858 -6.923 1.00 . A A . 3 VAL CG1 1 1 16 18359 1 1 3 VAL CG2 C 7.682 -2.950 -9.223 1.00 . A A . 3 VAL CG2 1 1 16 18360 1 1 3 VAL H H 9.716 -0.345 -8.636 1.00 . A A . 3 VAL H 1 1 16 18361 1 1 3 VAL HA H 7.311 -1.228 -7.057 1.00 . A A . 3 VAL HA 1 1 16 18362 1 1 3 VAL HB H 9.541 -2.993 -8.153 1.00 . A A . 3 VAL HB 1 1 16 18363 1 1 3 VAL HG11 H 6.971 -3.659 -6.639 1.00 . A A . 3 VAL HG11 1 1 16 18364 1 1 3 VAL HG12 H 8.062 -4.848 -7.377 1.00 . A A . 3 VAL HG12 1 1 16 18365 1 1 3 VAL HG13 H 8.631 -3.856 -6.031 1.00 . A A . 3 VAL HG13 1 1 16 18366 1 1 3 VAL HG21 H 7.745 -3.976 -9.583 1.00 . A A . 3 VAL HG21 1 1 16 18367 1 1 3 VAL HG22 H 6.635 -2.705 -9.045 1.00 . A A . 3 VAL HG22 1 1 16 18368 1 1 3 VAL HG23 H 8.075 -2.293 -10.000 1.00 . A A . 3 VAL HG23 1 1 16 18369 1 1 3 VAL N N 8.742 -0.395 -8.347 1.00 . A A . 3 VAL N 1 1 16 18370 1 1 3 VAL O O 10.397 -0.804 -6.252 1.00 . A A . 3 VAL O 1 1 16 18371 1 1 4 VAL C C 8.858 -2.570 -2.847 1.00 . A A . 4 VAL C 1 1 16 18372 1 1 4 VAL CA C 9.401 -1.398 -3.656 1.00 . A A . 4 VAL CA 1 1 16 18373 1 1 4 VAL CB C 9.262 -0.067 -2.894 1.00 . A A . 4 VAL CB 1 1 16 18374 1 1 4 VAL CG1 C 9.871 -0.095 -1.479 1.00 . A A . 4 VAL CG1 1 1 16 18375 1 1 4 VAL CG2 C 9.949 1.068 -3.650 1.00 . A A . 4 VAL CG2 1 1 16 18376 1 1 4 VAL H H 7.682 -1.634 -4.859 1.00 . A A . 4 VAL H 1 1 16 18377 1 1 4 VAL HA H 10.458 -1.581 -3.822 1.00 . A A . 4 VAL HA 1 1 16 18378 1 1 4 VAL HB H 8.204 0.172 -2.840 1.00 . A A . 4 VAL HB 1 1 16 18379 1 1 4 VAL HG11 H 9.837 0.900 -1.035 1.00 . A A . 4 VAL HG11 1 1 16 18380 1 1 4 VAL HG12 H 9.323 -0.762 -0.815 1.00 . A A . 4 VAL HG12 1 1 16 18381 1 1 4 VAL HG13 H 10.909 -0.424 -1.522 1.00 . A A . 4 VAL HG13 1 1 16 18382 1 1 4 VAL HG21 H 9.472 1.206 -4.615 1.00 . A A . 4 VAL HG21 1 1 16 18383 1 1 4 VAL HG22 H 9.853 1.991 -3.077 1.00 . A A . 4 VAL HG22 1 1 16 18384 1 1 4 VAL HG23 H 11.004 0.831 -3.782 1.00 . A A . 4 VAL HG23 1 1 16 18385 1 1 4 VAL N N 8.663 -1.359 -4.915 1.00 . A A . 4 VAL N 1 1 16 18386 1 1 4 VAL O O 7.781 -3.096 -3.146 1.00 . A A . 4 VAL O 1 1 16 18387 1 1 5 THR C C 9.383 -3.080 0.635 1.00 . A A . 5 THR C 1 1 16 18388 1 1 5 THR CA C 9.032 -3.704 -0.711 1.00 . A A . 5 THR CA 1 1 16 18389 1 1 5 THR CB C 9.479 -5.173 -0.780 1.00 . A A . 5 THR CB 1 1 16 18390 1 1 5 THR CG2 C 11.000 -5.357 -0.824 1.00 . A A . 5 THR CG2 1 1 16 18391 1 1 5 THR H H 10.484 -2.515 -1.616 1.00 . A A . 5 THR H 1 1 16 18392 1 1 5 THR HA H 7.953 -3.580 -0.799 1.00 . A A . 5 THR HA 1 1 16 18393 1 1 5 THR HB H 9.057 -5.621 -1.676 1.00 . A A . 5 THR HB 1 1 16 18394 1 1 5 THR HG1 H 8.185 -5.380 0.609 1.00 . A A . 5 THR HG1 1 1 16 18395 1 1 5 THR HG21 H 11.418 -4.886 -1.713 1.00 . A A . 5 THR HG21 1 1 16 18396 1 1 5 THR HG22 H 11.464 -4.928 0.065 1.00 . A A . 5 THR HG22 1 1 16 18397 1 1 5 THR HG23 H 11.230 -6.423 -0.854 1.00 . A A . 5 THR HG23 1 1 16 18398 1 1 5 THR N N 9.599 -2.962 -1.808 1.00 . A A . 5 THR N 1 1 16 18399 1 1 5 THR O O 10.493 -2.594 0.832 1.00 . A A . 5 THR O 1 1 16 18400 1 1 5 THR OG1 O 8.981 -5.854 0.343 1.00 . A A . 5 THR OG1 1 1 16 18401 1 1 6 TYR C C 9.150 -4.349 3.506 1.00 . A A . 6 TYR C 1 1 16 18402 1 1 6 TYR CA C 8.674 -3.001 2.978 1.00 . A A . 6 TYR CA 1 1 16 18403 1 1 6 TYR CB C 7.415 -2.579 3.731 1.00 . A A . 6 TYR CB 1 1 16 18404 1 1 6 TYR CD1 C 7.111 -0.195 2.946 1.00 . A A . 6 TYR CD1 1 1 16 18405 1 1 6 TYR CD2 C 5.341 -1.811 2.538 1.00 . A A . 6 TYR CD2 1 1 16 18406 1 1 6 TYR CE1 C 6.352 0.785 2.288 1.00 . A A . 6 TYR CE1 1 1 16 18407 1 1 6 TYR CE2 C 4.552 -0.814 1.952 1.00 . A A . 6 TYR CE2 1 1 16 18408 1 1 6 TYR CG C 6.603 -1.497 3.065 1.00 . A A . 6 TYR CG 1 1 16 18409 1 1 6 TYR CZ C 5.058 0.486 1.826 1.00 . A A . 6 TYR CZ 1 1 16 18410 1 1 6 TYR H H 7.527 -3.532 1.274 1.00 . A A . 6 TYR H 1 1 16 18411 1 1 6 TYR HA H 9.419 -2.231 3.138 1.00 . A A . 6 TYR HA 1 1 16 18412 1 1 6 TYR HB2 H 6.771 -3.446 3.860 1.00 . A A . 6 TYR HB2 1 1 16 18413 1 1 6 TYR HB3 H 7.709 -2.238 4.724 1.00 . A A . 6 TYR HB3 1 1 16 18414 1 1 6 TYR HD1 H 8.100 0.045 3.307 1.00 . A A . 6 TYR HD1 1 1 16 18415 1 1 6 TYR HD2 H 4.983 -2.823 2.562 1.00 . A A . 6 TYR HD2 1 1 16 18416 1 1 6 TYR HE1 H 6.816 1.732 2.083 1.00 . A A . 6 TYR HE1 1 1 16 18417 1 1 6 TYR HE2 H 3.630 -1.085 1.468 1.00 . A A . 6 TYR HE2 1 1 16 18418 1 1 6 TYR HH H 5.029 1.909 0.560 1.00 . A A . 6 TYR HH 1 1 16 18419 1 1 6 TYR N N 8.419 -3.143 1.557 1.00 . A A . 6 TYR N 1 1 16 18420 1 1 6 TYR O O 8.353 -5.280 3.604 1.00 . A A . 6 TYR O 1 1 16 18421 1 1 6 TYR OH O 4.394 1.373 1.039 1.00 . A A . 6 TYR OH 1 1 16 18422 1 1 7 GLU C C 10.542 -5.934 5.855 1.00 . A A . 7 GLU C 1 1 16 18423 1 1 7 GLU CA C 10.947 -5.730 4.385 1.00 . A A . 7 GLU CA 1 1 16 18424 1 1 7 GLU CB C 12.452 -5.783 4.247 1.00 . A A . 7 GLU CB 1 1 16 18425 1 1 7 GLU CD C 14.469 -5.729 2.754 1.00 . A A . 7 GLU CD 1 1 16 18426 1 1 7 GLU CG C 12.953 -5.596 2.809 1.00 . A A . 7 GLU CG 1 1 16 18427 1 1 7 GLU H H 11.080 -3.752 3.599 1.00 . A A . 7 GLU H 1 1 16 18428 1 1 7 GLU HA H 10.564 -6.552 3.789 1.00 . A A . 7 GLU HA 1 1 16 18429 1 1 7 GLU HB2 H 12.848 -5.015 4.896 1.00 . A A . 7 GLU HB2 1 1 16 18430 1 1 7 GLU HB3 H 12.748 -6.762 4.621 1.00 . A A . 7 GLU HB3 1 1 16 18431 1 1 7 GLU HG2 H 12.517 -6.359 2.165 1.00 . A A . 7 GLU HG2 1 1 16 18432 1 1 7 GLU HG3 H 12.681 -4.612 2.428 1.00 . A A . 7 GLU HG3 1 1 16 18433 1 1 7 GLU N N 10.431 -4.488 3.832 1.00 . A A . 7 GLU N 1 1 16 18434 1 1 7 GLU O O 11.370 -5.903 6.764 1.00 . A A . 7 GLU O 1 1 16 18435 1 1 7 GLU OE1 O 14.937 -6.885 2.822 1.00 . A A . 7 GLU OE1 1 1 16 18436 1 1 7 GLU OE2 O 15.130 -4.673 2.668 1.00 . A A . 7 GLU OE2 1 1 16 18437 1 1 8 ASN C C 9.203 -8.052 7.633 1.00 . A A . 8 ASN C 1 1 16 18438 1 1 8 ASN CA C 8.733 -6.643 7.364 1.00 . A A . 8 ASN CA 1 1 16 18439 1 1 8 ASN CB C 7.202 -6.644 7.500 1.00 . A A . 8 ASN CB 1 1 16 18440 1 1 8 ASN CG C 6.451 -6.883 6.204 1.00 . A A . 8 ASN CG 1 1 16 18441 1 1 8 ASN H H 8.717 -6.241 5.234 1.00 . A A . 8 ASN H 1 1 16 18442 1 1 8 ASN HA H 9.132 -5.984 8.138 1.00 . A A . 8 ASN HA 1 1 16 18443 1 1 8 ASN HB2 H 6.916 -7.427 8.192 1.00 . A A . 8 ASN HB2 1 1 16 18444 1 1 8 ASN HB3 H 6.873 -5.721 7.966 1.00 . A A . 8 ASN HB3 1 1 16 18445 1 1 8 ASN HD21 H 6.587 -4.913 5.871 1.00 . A A . 8 ASN HD21 1 1 16 18446 1 1 8 ASN HD22 H 5.753 -5.828 4.601 1.00 . A A . 8 ASN HD22 1 1 16 18447 1 1 8 ASN N N 9.263 -6.208 6.074 1.00 . A A . 8 ASN N 1 1 16 18448 1 1 8 ASN ND2 N 6.231 -5.802 5.482 1.00 . A A . 8 ASN ND2 1 1 16 18449 1 1 8 ASN O O 9.358 -8.858 6.710 1.00 . A A . 8 ASN O 1 1 16 18450 1 1 8 ASN OD1 O 6.058 -8.006 5.869 1.00 . A A . 8 ASN OD1 1 1 16 18451 1 1 9 LYS C C 8.731 -10.676 9.222 1.00 . A A . 9 LYS C 1 1 16 18452 1 1 9 LYS CA C 9.790 -9.598 9.459 1.00 . A A . 9 LYS CA 1 1 16 18453 1 1 9 LYS CB C 10.070 -9.370 10.951 1.00 . A A . 9 LYS CB 1 1 16 18454 1 1 9 LYS CD C 10.767 -10.311 13.185 1.00 . A A . 9 LYS CD 1 1 16 18455 1 1 9 LYS CE C 11.320 -8.940 13.613 1.00 . A A . 9 LYS CE 1 1 16 18456 1 1 9 LYS CG C 10.805 -10.512 11.661 1.00 . A A . 9 LYS CG 1 1 16 18457 1 1 9 LYS H H 8.938 -7.678 9.596 1.00 . A A . 9 LYS H 1 1 16 18458 1 1 9 LYS HA H 10.699 -9.839 8.907 1.00 . A A . 9 LYS HA 1 1 16 18459 1 1 9 LYS HB2 H 10.681 -8.470 11.026 1.00 . A A . 9 LYS HB2 1 1 16 18460 1 1 9 LYS HB3 H 9.119 -9.192 11.455 1.00 . A A . 9 LYS HB3 1 1 16 18461 1 1 9 LYS HD2 H 9.730 -10.407 13.515 1.00 . A A . 9 LYS HD2 1 1 16 18462 1 1 9 LYS HD3 H 11.351 -11.114 13.643 1.00 . A A . 9 LYS HD3 1 1 16 18463 1 1 9 LYS HE2 H 12.331 -8.818 13.220 1.00 . A A . 9 LYS HE2 1 1 16 18464 1 1 9 LYS HE3 H 10.690 -8.143 13.212 1.00 . A A . 9 LYS HE3 1 1 16 18465 1 1 9 LYS HG2 H 10.322 -11.462 11.424 1.00 . A A . 9 LYS HG2 1 1 16 18466 1 1 9 LYS HG3 H 11.836 -10.552 11.304 1.00 . A A . 9 LYS HG3 1 1 16 18467 1 1 9 LYS HZ1 H 11.929 -9.482 15.507 1.00 . A A . 9 LYS HZ1 1 1 16 18468 1 1 9 LYS HZ2 H 11.711 -7.863 15.311 1.00 . A A . 9 LYS HZ2 1 1 16 18469 1 1 9 LYS HZ3 H 10.406 -8.847 15.451 1.00 . A A . 9 LYS HZ3 1 1 16 18470 1 1 9 LYS N N 9.340 -8.341 8.923 1.00 . A A . 9 LYS N 1 1 16 18471 1 1 9 LYS NZ N 11.344 -8.777 15.081 1.00 . A A . 9 LYS NZ 1 1 16 18472 1 1 9 LYS O O 9.083 -11.843 9.069 1.00 . A A . 9 LYS O 1 1 16 18473 1 1 10 LYS C C 6.847 -11.865 7.399 1.00 . A A . 10 LYS C 1 1 16 18474 1 1 10 LYS CA C 6.357 -11.070 8.608 1.00 . A A . 10 LYS CA 1 1 16 18475 1 1 10 LYS CB C 5.217 -10.136 8.175 1.00 . A A . 10 LYS CB 1 1 16 18476 1 1 10 LYS CD C 3.265 -11.191 9.494 1.00 . A A . 10 LYS CD 1 1 16 18477 1 1 10 LYS CE C 2.856 -11.889 8.185 1.00 . A A . 10 LYS CE 1 1 16 18478 1 1 10 LYS CG C 4.138 -9.944 9.236 1.00 . A A . 10 LYS CG 1 1 16 18479 1 1 10 LYS H H 7.274 -9.306 9.413 1.00 . A A . 10 LYS H 1 1 16 18480 1 1 10 LYS HA H 5.989 -11.777 9.350 1.00 . A A . 10 LYS HA 1 1 16 18481 1 1 10 LYS HB2 H 5.633 -9.156 7.973 1.00 . A A . 10 LYS HB2 1 1 16 18482 1 1 10 LYS HB3 H 4.762 -10.473 7.245 1.00 . A A . 10 LYS HB3 1 1 16 18483 1 1 10 LYS HD2 H 3.818 -11.891 10.125 1.00 . A A . 10 LYS HD2 1 1 16 18484 1 1 10 LYS HD3 H 2.378 -10.864 10.039 1.00 . A A . 10 LYS HD3 1 1 16 18485 1 1 10 LYS HE2 H 2.460 -11.150 7.491 1.00 . A A . 10 LYS HE2 1 1 16 18486 1 1 10 LYS HE3 H 3.741 -12.343 7.743 1.00 . A A . 10 LYS HE3 1 1 16 18487 1 1 10 LYS HG2 H 4.637 -9.621 10.152 1.00 . A A . 10 LYS HG2 1 1 16 18488 1 1 10 LYS HG3 H 3.512 -9.121 8.886 1.00 . A A . 10 LYS HG3 1 1 16 18489 1 1 10 LYS HZ1 H 2.190 -13.661 9.020 1.00 . A A . 10 LYS HZ1 1 1 16 18490 1 1 10 LYS HZ2 H 0.959 -12.623 8.622 1.00 . A A . 10 LYS HZ2 1 1 16 18491 1 1 10 LYS HZ3 H 1.768 -13.486 7.477 1.00 . A A . 10 LYS HZ3 1 1 16 18492 1 1 10 LYS N N 7.451 -10.274 9.169 1.00 . A A . 10 LYS N 1 1 16 18493 1 1 10 LYS NZ N 1.867 -12.973 8.359 1.00 . A A . 10 LYS NZ 1 1 16 18494 1 1 10 LYS O O 6.931 -13.090 7.440 1.00 . A A . 10 LYS O 1 1 16 18495 1 1 11 GLY C C 7.799 -10.820 3.961 1.00 . A A . 11 GLY C 1 1 16 18496 1 1 11 GLY CA C 7.816 -11.741 5.167 1.00 . A A . 11 GLY CA 1 1 16 18497 1 1 11 GLY H H 7.004 -10.153 6.352 1.00 . A A . 11 GLY H 1 1 16 18498 1 1 11 GLY HA2 H 8.854 -11.934 5.419 1.00 . A A . 11 GLY HA2 1 1 16 18499 1 1 11 GLY HA3 H 7.344 -12.679 4.893 1.00 . A A . 11 GLY HA3 1 1 16 18500 1 1 11 GLY N N 7.161 -11.151 6.320 1.00 . A A . 11 GLY N 1 1 16 18501 1 1 11 GLY O O 7.568 -11.290 2.853 1.00 . A A . 11 GLY O 1 1 16 18502 1 1 12 ASN C C 7.151 -8.246 2.307 1.00 . A A . 12 ASN C 1 1 16 18503 1 1 12 ASN CA C 8.376 -8.526 3.191 1.00 . A A . 12 ASN CA 1 1 16 18504 1 1 12 ASN CB C 9.609 -8.888 2.352 1.00 . A A . 12 ASN CB 1 1 16 18505 1 1 12 ASN CG C 10.860 -9.316 3.133 1.00 . A A . 12 ASN CG 1 1 16 18506 1 1 12 ASN H H 8.273 -9.270 5.158 1.00 . A A . 12 ASN H 1 1 16 18507 1 1 12 ASN HA H 8.648 -7.630 3.741 1.00 . A A . 12 ASN HA 1 1 16 18508 1 1 12 ASN HB2 H 9.336 -9.685 1.665 1.00 . A A . 12 ASN HB2 1 1 16 18509 1 1 12 ASN HB3 H 9.880 -8.018 1.752 1.00 . A A . 12 ASN HB3 1 1 16 18510 1 1 12 ASN HD21 H 10.172 -8.767 5.022 1.00 . A A . 12 ASN HD21 1 1 16 18511 1 1 12 ASN HD22 H 11.791 -9.390 4.910 1.00 . A A . 12 ASN HD22 1 1 16 18512 1 1 12 ASN N N 8.087 -9.537 4.199 1.00 . A A . 12 ASN N 1 1 16 18513 1 1 12 ASN ND2 N 10.938 -9.117 4.451 1.00 . A A . 12 ASN ND2 1 1 16 18514 1 1 12 ASN O O 6.726 -9.088 1.523 1.00 . A A . 12 ASN O 1 1 16 18515 1 1 12 ASN OD1 O 11.783 -9.862 2.537 1.00 . A A . 12 ASN OD1 1 1 16 18516 1 1 13 VAL C C 5.854 -5.966 0.381 1.00 . A A . 13 VAL C 1 1 16 18517 1 1 13 VAL CA C 5.389 -6.672 1.643 1.00 . A A . 13 VAL CA 1 1 16 18518 1 1 13 VAL CB C 4.487 -5.737 2.458 1.00 . A A . 13 VAL CB 1 1 16 18519 1 1 13 VAL CG1 C 3.461 -5.024 1.573 1.00 . A A . 13 VAL CG1 1 1 16 18520 1 1 13 VAL CG2 C 3.749 -6.533 3.529 1.00 . A A . 13 VAL CG2 1 1 16 18521 1 1 13 VAL H H 7.039 -6.362 2.981 1.00 . A A . 13 VAL H 1 1 16 18522 1 1 13 VAL HA H 4.800 -7.549 1.368 1.00 . A A . 13 VAL HA 1 1 16 18523 1 1 13 VAL HB H 5.108 -4.987 2.945 1.00 . A A . 13 VAL HB 1 1 16 18524 1 1 13 VAL HG11 H 2.990 -5.735 0.894 1.00 . A A . 13 VAL HG11 1 1 16 18525 1 1 13 VAL HG12 H 2.698 -4.576 2.200 1.00 . A A . 13 VAL HG12 1 1 16 18526 1 1 13 VAL HG13 H 3.945 -4.233 0.996 1.00 . A A . 13 VAL HG13 1 1 16 18527 1 1 13 VAL HG21 H 2.918 -7.081 3.088 1.00 . A A . 13 VAL HG21 1 1 16 18528 1 1 13 VAL HG22 H 4.439 -7.239 3.979 1.00 . A A . 13 VAL HG22 1 1 16 18529 1 1 13 VAL HG23 H 3.373 -5.853 4.292 1.00 . A A . 13 VAL HG23 1 1 16 18530 1 1 13 VAL N N 6.557 -7.061 2.428 1.00 . A A . 13 VAL N 1 1 16 18531 1 1 13 VAL O O 6.437 -4.883 0.483 1.00 . A A . 13 VAL O 1 1 16 18532 1 1 14 THR C C 4.670 -4.895 -2.347 1.00 . A A . 14 THR C 1 1 16 18533 1 1 14 THR CA C 5.810 -5.875 -2.061 1.00 . A A . 14 THR CA 1 1 16 18534 1 1 14 THR CB C 5.944 -6.928 -3.169 1.00 . A A . 14 THR CB 1 1 16 18535 1 1 14 THR CG2 C 6.399 -6.311 -4.496 1.00 . A A . 14 THR CG2 1 1 16 18536 1 1 14 THR H H 5.102 -7.438 -0.804 1.00 . A A . 14 THR H 1 1 16 18537 1 1 14 THR HA H 6.749 -5.327 -2.003 1.00 . A A . 14 THR HA 1 1 16 18538 1 1 14 THR HB H 4.983 -7.428 -3.314 1.00 . A A . 14 THR HB 1 1 16 18539 1 1 14 THR HG1 H 6.958 -8.570 -3.437 1.00 . A A . 14 THR HG1 1 1 16 18540 1 1 14 THR HG21 H 6.558 -7.097 -5.234 1.00 . A A . 14 THR HG21 1 1 16 18541 1 1 14 THR HG22 H 5.638 -5.631 -4.883 1.00 . A A . 14 THR HG22 1 1 16 18542 1 1 14 THR HG23 H 7.332 -5.763 -4.354 1.00 . A A . 14 THR HG23 1 1 16 18543 1 1 14 THR N N 5.573 -6.540 -0.788 1.00 . A A . 14 THR N 1 1 16 18544 1 1 14 THR O O 3.516 -5.164 -2.012 1.00 . A A . 14 THR O 1 1 16 18545 1 1 14 THR OG1 O 6.905 -7.883 -2.768 1.00 . A A . 14 THR OG1 1 1 16 18546 1 1 15 PHE C C 4.554 -2.278 -4.852 1.00 . A A . 15 PHE C 1 1 16 18547 1 1 15 PHE CA C 4.016 -2.840 -3.534 1.00 . A A . 15 PHE CA 1 1 16 18548 1 1 15 PHE CB C 3.660 -1.730 -2.533 1.00 . A A . 15 PHE CB 1 1 16 18549 1 1 15 PHE CD1 C 5.712 -1.348 -1.121 1.00 . A A . 15 PHE CD1 1 1 16 18550 1 1 15 PHE CD2 C 4.872 0.497 -2.473 1.00 . A A . 15 PHE CD2 1 1 16 18551 1 1 15 PHE CE1 C 6.682 -0.500 -0.574 1.00 . A A . 15 PHE CE1 1 1 16 18552 1 1 15 PHE CE2 C 5.816 1.358 -1.888 1.00 . A A . 15 PHE CE2 1 1 16 18553 1 1 15 PHE CG C 4.800 -0.851 -2.069 1.00 . A A . 15 PHE CG 1 1 16 18554 1 1 15 PHE CZ C 6.708 0.861 -0.923 1.00 . A A . 15 PHE CZ 1 1 16 18555 1 1 15 PHE H H 5.963 -3.563 -3.175 1.00 . A A . 15 PHE H 1 1 16 18556 1 1 15 PHE HA H 3.096 -3.387 -3.747 1.00 . A A . 15 PHE HA 1 1 16 18557 1 1 15 PHE HB2 H 2.890 -1.100 -2.977 1.00 . A A . 15 PHE HB2 1 1 16 18558 1 1 15 PHE HB3 H 3.235 -2.188 -1.642 1.00 . A A . 15 PHE HB3 1 1 16 18559 1 1 15 PHE HD1 H 5.639 -2.366 -0.768 1.00 . A A . 15 PHE HD1 1 1 16 18560 1 1 15 PHE HD2 H 4.193 0.881 -3.221 1.00 . A A . 15 PHE HD2 1 1 16 18561 1 1 15 PHE HE1 H 7.333 -0.867 0.203 1.00 . A A . 15 PHE HE1 1 1 16 18562 1 1 15 PHE HE2 H 5.859 2.398 -2.181 1.00 . A A . 15 PHE HE2 1 1 16 18563 1 1 15 PHE HZ H 7.434 1.506 -0.454 1.00 . A A . 15 PHE HZ 1 1 16 18564 1 1 15 PHE N N 4.988 -3.764 -2.978 1.00 . A A . 15 PHE N 1 1 16 18565 1 1 15 PHE O O 5.651 -1.717 -4.906 1.00 . A A . 15 PHE O 1 1 16 18566 1 1 16 ASP C C 3.654 -0.318 -7.051 1.00 . A A . 16 ASP C 1 1 16 18567 1 1 16 ASP CA C 4.011 -1.791 -7.193 1.00 . A A . 16 ASP CA 1 1 16 18568 1 1 16 ASP CB C 3.167 -2.424 -8.295 1.00 . A A . 16 ASP CB 1 1 16 18569 1 1 16 ASP CG C 3.583 -3.850 -8.603 1.00 . A A . 16 ASP CG 1 1 16 18570 1 1 16 ASP H H 2.962 -3.046 -5.866 1.00 . A A . 16 ASP H 1 1 16 18571 1 1 16 ASP HA H 5.061 -1.898 -7.469 1.00 . A A . 16 ASP HA 1 1 16 18572 1 1 16 ASP HB2 H 2.110 -2.404 -8.029 1.00 . A A . 16 ASP HB2 1 1 16 18573 1 1 16 ASP HB3 H 3.334 -1.834 -9.192 1.00 . A A . 16 ASP HB3 1 1 16 18574 1 1 16 ASP N N 3.770 -2.440 -5.920 1.00 . A A . 16 ASP N 1 1 16 18575 1 1 16 ASP O O 2.481 0.045 -7.015 1.00 . A A . 16 ASP O 1 1 16 18576 1 1 16 ASP OD1 O 3.272 -4.716 -7.759 1.00 . A A . 16 ASP OD1 1 1 16 18577 1 1 16 ASP OD2 O 4.203 -4.034 -9.672 1.00 . A A . 16 ASP OD2 1 1 16 18578 1 1 17 HIS C C 3.966 2.565 -8.100 1.00 . A A . 17 HIS C 1 1 16 18579 1 1 17 HIS CA C 4.512 1.962 -6.800 1.00 . A A . 17 HIS CA 1 1 16 18580 1 1 17 HIS CB C 5.903 2.483 -6.433 1.00 . A A . 17 HIS CB 1 1 16 18581 1 1 17 HIS CD2 C 5.256 4.662 -5.299 1.00 . A A . 17 HIS CD2 1 1 16 18582 1 1 17 HIS CE1 C 6.579 6.047 -6.372 1.00 . A A . 17 HIS CE1 1 1 16 18583 1 1 17 HIS CG C 5.991 3.951 -6.199 1.00 . A A . 17 HIS CG 1 1 16 18584 1 1 17 HIS H H 5.590 0.186 -7.188 1.00 . A A . 17 HIS H 1 1 16 18585 1 1 17 HIS HA H 3.817 2.161 -5.983 1.00 . A A . 17 HIS HA 1 1 16 18586 1 1 17 HIS HB2 H 6.270 1.968 -5.545 1.00 . A A . 17 HIS HB2 1 1 16 18587 1 1 17 HIS HB3 H 6.581 2.269 -7.247 1.00 . A A . 17 HIS HB3 1 1 16 18588 1 1 17 HIS HD1 H 7.510 4.574 -7.559 1.00 . A A . 17 HIS HD1 1 1 16 18589 1 1 17 HIS HD2 H 4.509 4.273 -4.628 1.00 . A A . 17 HIS HD2 1 1 16 18590 1 1 17 HIS HE1 H 7.049 6.960 -6.698 1.00 . A A . 17 HIS HE1 1 1 16 18591 1 1 17 HIS N N 4.663 0.534 -6.976 1.00 . A A . 17 HIS N 1 1 16 18592 1 1 17 HIS ND1 N 6.832 4.820 -6.854 1.00 . A A . 17 HIS ND1 1 1 16 18593 1 1 17 HIS NE2 N 5.631 5.996 -5.428 1.00 . A A . 17 HIS NE2 1 1 16 18594 1 1 17 HIS O O 2.861 3.108 -8.147 1.00 . A A . 17 HIS O 1 1 16 18595 1 1 18 LYS C C 3.054 2.394 -10.949 1.00 . A A . 18 LYS C 1 1 16 18596 1 1 18 LYS CA C 4.433 2.889 -10.512 1.00 . A A . 18 LYS CA 1 1 16 18597 1 1 18 LYS CB C 5.546 2.449 -11.472 1.00 . A A . 18 LYS CB 1 1 16 18598 1 1 18 LYS CD C 6.302 2.372 -13.882 1.00 . A A . 18 LYS CD 1 1 16 18599 1 1 18 LYS CE C 5.756 2.331 -15.317 1.00 . A A . 18 LYS CE 1 1 16 18600 1 1 18 LYS CG C 5.118 2.553 -12.933 1.00 . A A . 18 LYS CG 1 1 16 18601 1 1 18 LYS H H 5.584 1.864 -9.053 1.00 . A A . 18 LYS H 1 1 16 18602 1 1 18 LYS HA H 4.415 3.980 -10.506 1.00 . A A . 18 LYS HA 1 1 16 18603 1 1 18 LYS HB2 H 6.400 3.109 -11.328 1.00 . A A . 18 LYS HB2 1 1 16 18604 1 1 18 LYS HB3 H 5.837 1.418 -11.268 1.00 . A A . 18 LYS HB3 1 1 16 18605 1 1 18 LYS HD2 H 6.989 3.209 -13.741 1.00 . A A . 18 LYS HD2 1 1 16 18606 1 1 18 LYS HD3 H 6.808 1.437 -13.636 1.00 . A A . 18 LYS HD3 1 1 16 18607 1 1 18 LYS HE2 H 5.094 1.469 -15.422 1.00 . A A . 18 LYS HE2 1 1 16 18608 1 1 18 LYS HE3 H 5.169 3.232 -15.509 1.00 . A A . 18 LYS HE3 1 1 16 18609 1 1 18 LYS HG2 H 4.384 1.776 -13.144 1.00 . A A . 18 LYS HG2 1 1 16 18610 1 1 18 LYS HG3 H 4.665 3.529 -13.093 1.00 . A A . 18 LYS HG3 1 1 16 18611 1 1 18 LYS HZ1 H 6.399 2.185 -17.244 1.00 . A A . 18 LYS HZ1 1 1 16 18612 1 1 18 LYS HZ2 H 7.428 3.033 -16.278 1.00 . A A . 18 LYS HZ2 1 1 16 18613 1 1 18 LYS HZ3 H 7.362 1.386 -16.175 1.00 . A A . 18 LYS HZ3 1 1 16 18614 1 1 18 LYS N N 4.745 2.415 -9.175 1.00 . A A . 18 LYS N 1 1 16 18615 1 1 18 LYS NZ N 6.823 2.226 -16.327 1.00 . A A . 18 LYS NZ 1 1 16 18616 1 1 18 LYS O O 2.222 3.189 -11.369 1.00 . A A . 18 LYS O 1 1 16 18617 1 1 19 ALA C C 0.365 1.227 -10.665 1.00 . A A . 19 ALA C 1 1 16 18618 1 1 19 ALA CA C 1.549 0.509 -11.303 1.00 . A A . 19 ALA CA 1 1 16 18619 1 1 19 ALA CB C 1.482 -0.959 -10.923 1.00 . A A . 19 ALA CB 1 1 16 18620 1 1 19 ALA H H 3.554 0.483 -10.544 1.00 . A A . 19 ALA H 1 1 16 18621 1 1 19 ALA HA H 1.488 0.587 -12.389 1.00 . A A . 19 ALA HA 1 1 16 18622 1 1 19 ALA HB1 H 2.367 -1.484 -11.279 1.00 . A A . 19 ALA HB1 1 1 16 18623 1 1 19 ALA HB2 H 1.405 -1.010 -9.839 1.00 . A A . 19 ALA HB2 1 1 16 18624 1 1 19 ALA HB3 H 0.588 -1.399 -11.364 1.00 . A A . 19 ALA HB3 1 1 16 18625 1 1 19 ALA N N 2.812 1.087 -10.863 1.00 . A A . 19 ALA N 1 1 16 18626 1 1 19 ALA O O -0.496 1.748 -11.369 1.00 . A A . 19 ALA O 1 1 16 18627 1 1 20 HIS C C -0.778 3.412 -9.112 1.00 . A A . 20 HIS C 1 1 16 18628 1 1 20 HIS CA C -0.734 1.966 -8.620 1.00 . A A . 20 HIS CA 1 1 16 18629 1 1 20 HIS CB C -0.511 1.903 -7.103 1.00 . A A . 20 HIS CB 1 1 16 18630 1 1 20 HIS CD2 C -1.989 0.357 -5.656 1.00 . A A . 20 HIS CD2 1 1 16 18631 1 1 20 HIS CE1 C -0.687 -1.393 -5.525 1.00 . A A . 20 HIS CE1 1 1 16 18632 1 1 20 HIS CG C -0.886 0.594 -6.439 1.00 . A A . 20 HIS CG 1 1 16 18633 1 1 20 HIS H H 1.115 0.925 -8.795 1.00 . A A . 20 HIS H 1 1 16 18634 1 1 20 HIS HA H -1.691 1.495 -8.847 1.00 . A A . 20 HIS HA 1 1 16 18635 1 1 20 HIS HB2 H 0.528 2.139 -6.873 1.00 . A A . 20 HIS HB2 1 1 16 18636 1 1 20 HIS HB3 H -1.131 2.674 -6.659 1.00 . A A . 20 HIS HB3 1 1 16 18637 1 1 20 HIS HD1 H 0.842 -0.614 -6.746 1.00 . A A . 20 HIS HD1 1 1 16 18638 1 1 20 HIS HD2 H -2.792 1.048 -5.470 1.00 . A A . 20 HIS HD2 1 1 16 18639 1 1 20 HIS HE1 H -0.275 -2.348 -5.246 1.00 . A A . 20 HIS HE1 1 1 16 18640 1 1 20 HIS N N 0.327 1.267 -9.328 1.00 . A A . 20 HIS N 1 1 16 18641 1 1 20 HIS ND1 N -0.081 -0.513 -6.340 1.00 . A A . 20 HIS ND1 1 1 16 18642 1 1 20 HIS NE2 N -1.856 -0.913 -5.079 1.00 . A A . 20 HIS NE2 1 1 16 18643 1 1 20 HIS O O -1.853 3.977 -9.290 1.00 . A A . 20 HIS O 1 1 16 18644 1 1 21 ALA C C -0.314 5.570 -11.143 1.00 . A A . 21 ALA C 1 1 16 18645 1 1 21 ALA CA C 0.452 5.391 -9.831 1.00 . A A . 21 ALA CA 1 1 16 18646 1 1 21 ALA CB C 1.899 5.877 -9.950 1.00 . A A . 21 ALA CB 1 1 16 18647 1 1 21 ALA H H 1.238 3.446 -9.285 1.00 . A A . 21 ALA H 1 1 16 18648 1 1 21 ALA HA H -0.036 6.019 -9.085 1.00 . A A . 21 ALA HA 1 1 16 18649 1 1 21 ALA HB1 H 2.382 5.488 -10.842 1.00 . A A . 21 ALA HB1 1 1 16 18650 1 1 21 ALA HB2 H 1.891 6.962 -10.033 1.00 . A A . 21 ALA HB2 1 1 16 18651 1 1 21 ALA HB3 H 2.475 5.574 -9.075 1.00 . A A . 21 ALA HB3 1 1 16 18652 1 1 21 ALA N N 0.388 4.010 -9.363 1.00 . A A . 21 ALA N 1 1 16 18653 1 1 21 ALA O O -1.191 6.409 -11.239 1.00 . A A . 21 ALA O 1 1 16 18654 1 1 22 GLU C C -2.068 4.474 -13.484 1.00 . A A . 22 GLU C 1 1 16 18655 1 1 22 GLU CA C -0.604 4.919 -13.484 1.00 . A A . 22 GLU CA 1 1 16 18656 1 1 22 GLU CB C 0.253 4.255 -14.572 1.00 . A A . 22 GLU CB 1 1 16 18657 1 1 22 GLU CD C 1.589 2.296 -15.396 1.00 . A A . 22 GLU CD 1 1 16 18658 1 1 22 GLU CG C 0.551 2.763 -14.384 1.00 . A A . 22 GLU CG 1 1 16 18659 1 1 22 GLU H H 0.627 4.031 -11.945 1.00 . A A . 22 GLU H 1 1 16 18660 1 1 22 GLU HA H -0.611 5.984 -13.726 1.00 . A A . 22 GLU HA 1 1 16 18661 1 1 22 GLU HB2 H -0.246 4.374 -15.534 1.00 . A A . 22 GLU HB2 1 1 16 18662 1 1 22 GLU HB3 H 1.209 4.779 -14.614 1.00 . A A . 22 GLU HB3 1 1 16 18663 1 1 22 GLU HG2 H 0.955 2.587 -13.394 1.00 . A A . 22 GLU HG2 1 1 16 18664 1 1 22 GLU HG3 H -0.359 2.179 -14.509 1.00 . A A . 22 GLU HG3 1 1 16 18665 1 1 22 GLU N N -0.010 4.775 -12.159 1.00 . A A . 22 GLU N 1 1 16 18666 1 1 22 GLU O O -2.917 5.140 -14.071 1.00 . A A . 22 GLU O 1 1 16 18667 1 1 22 GLU OE1 O 1.171 1.904 -16.505 1.00 . A A . 22 GLU OE1 1 1 16 18668 1 1 22 GLU OE2 O 2.791 2.359 -15.054 1.00 . A A . 22 GLU OE2 1 1 16 18669 1 1 23 LYS C C -4.595 3.993 -11.937 1.00 . A A . 23 LYS C 1 1 16 18670 1 1 23 LYS CA C -3.729 2.905 -12.582 1.00 . A A . 23 LYS CA 1 1 16 18671 1 1 23 LYS CB C -3.662 1.667 -11.682 1.00 . A A . 23 LYS CB 1 1 16 18672 1 1 23 LYS CD C -3.871 -0.241 -13.306 1.00 . A A . 23 LYS CD 1 1 16 18673 1 1 23 LYS CE C -3.217 -1.529 -13.826 1.00 . A A . 23 LYS CE 1 1 16 18674 1 1 23 LYS CG C -2.934 0.493 -12.356 1.00 . A A . 23 LYS CG 1 1 16 18675 1 1 23 LYS H H -1.634 2.803 -12.397 1.00 . A A . 23 LYS H 1 1 16 18676 1 1 23 LYS HA H -4.178 2.644 -13.540 1.00 . A A . 23 LYS HA 1 1 16 18677 1 1 23 LYS HB2 H -3.123 1.932 -10.773 1.00 . A A . 23 LYS HB2 1 1 16 18678 1 1 23 LYS HB3 H -4.669 1.366 -11.392 1.00 . A A . 23 LYS HB3 1 1 16 18679 1 1 23 LYS HD2 H -4.772 -0.475 -12.742 1.00 . A A . 23 LYS HD2 1 1 16 18680 1 1 23 LYS HD3 H -4.116 0.429 -14.131 1.00 . A A . 23 LYS HD3 1 1 16 18681 1 1 23 LYS HE2 H -2.473 -1.285 -14.586 1.00 . A A . 23 LYS HE2 1 1 16 18682 1 1 23 LYS HE3 H -2.721 -2.040 -12.998 1.00 . A A . 23 LYS HE3 1 1 16 18683 1 1 23 LYS HG2 H -2.063 0.825 -12.922 1.00 . A A . 23 LYS HG2 1 1 16 18684 1 1 23 LYS HG3 H -2.604 -0.186 -11.568 1.00 . A A . 23 LYS HG3 1 1 16 18685 1 1 23 LYS HZ1 H -4.832 -2.740 -13.598 1.00 . A A . 23 LYS HZ1 1 1 16 18686 1 1 23 LYS HZ2 H -4.777 -2.046 -15.093 1.00 . A A . 23 LYS HZ2 1 1 16 18687 1 1 23 LYS HZ3 H -3.778 -3.310 -14.701 1.00 . A A . 23 LYS HZ3 1 1 16 18688 1 1 23 LYS N N -2.373 3.365 -12.806 1.00 . A A . 23 LYS N 1 1 16 18689 1 1 23 LYS NZ N -4.220 -2.467 -14.368 1.00 . A A . 23 LYS NZ 1 1 16 18690 1 1 23 LYS O O -5.721 4.217 -12.377 1.00 . A A . 23 LYS O 1 1 16 18691 1 1 24 LEU C C -4.668 6.971 -10.400 1.00 . A A . 24 LEU C 1 1 16 18692 1 1 24 LEU CA C -4.891 5.506 -10.024 1.00 . A A . 24 LEU CA 1 1 16 18693 1 1 24 LEU CB C -4.560 5.264 -8.548 1.00 . A A . 24 LEU CB 1 1 16 18694 1 1 24 LEU CD1 C -4.069 3.632 -6.738 1.00 . A A . 24 LEU CD1 1 1 16 18695 1 1 24 LEU CD2 C -6.201 3.389 -8.067 1.00 . A A . 24 LEU CD2 1 1 16 18696 1 1 24 LEU CG C -4.725 3.798 -8.109 1.00 . A A . 24 LEU CG 1 1 16 18697 1 1 24 LEU H H -3.164 4.379 -10.543 1.00 . A A . 24 LEU H 1 1 16 18698 1 1 24 LEU HA H -5.952 5.296 -10.160 1.00 . A A . 24 LEU HA 1 1 16 18699 1 1 24 LEU HB2 H -3.536 5.585 -8.355 1.00 . A A . 24 LEU HB2 1 1 16 18700 1 1 24 LEU HB3 H -5.223 5.884 -7.947 1.00 . A A . 24 LEU HB3 1 1 16 18701 1 1 24 LEU HD11 H -4.246 2.627 -6.356 1.00 . A A . 24 LEU HD11 1 1 16 18702 1 1 24 LEU HD12 H -2.999 3.798 -6.830 1.00 . A A . 24 LEU HD12 1 1 16 18703 1 1 24 LEU HD13 H -4.457 4.366 -6.041 1.00 . A A . 24 LEU HD13 1 1 16 18704 1 1 24 LEU HD21 H -6.777 4.102 -7.479 1.00 . A A . 24 LEU HD21 1 1 16 18705 1 1 24 LEU HD22 H -6.605 3.351 -9.078 1.00 . A A . 24 LEU HD22 1 1 16 18706 1 1 24 LEU HD23 H -6.293 2.399 -7.622 1.00 . A A . 24 LEU HD23 1 1 16 18707 1 1 24 LEU HG H -4.211 3.122 -8.792 1.00 . A A . 24 LEU HG 1 1 16 18708 1 1 24 LEU N N -4.098 4.617 -10.864 1.00 . A A . 24 LEU N 1 1 16 18709 1 1 24 LEU O O -5.622 7.670 -10.731 1.00 . A A . 24 LEU O 1 1 16 18710 1 1 25 GLY C C -1.784 9.140 -9.888 1.00 . A A . 25 GLY C 1 1 16 18711 1 1 25 GLY CA C -3.055 8.810 -10.654 1.00 . A A . 25 GLY CA 1 1 16 18712 1 1 25 GLY H H -2.620 6.829 -10.190 1.00 . A A . 25 GLY H 1 1 16 18713 1 1 25 GLY HA2 H -2.847 8.879 -11.721 1.00 . A A . 25 GLY HA2 1 1 16 18714 1 1 25 GLY HA3 H -3.846 9.511 -10.387 1.00 . A A . 25 GLY HA3 1 1 16 18715 1 1 25 GLY N N -3.421 7.446 -10.336 1.00 . A A . 25 GLY N 1 1 16 18716 1 1 25 GLY O O -0.683 9.002 -10.416 1.00 . A A . 25 GLY O 1 1 16 18717 1 1 26 CYS C C -1.397 10.399 -6.417 1.00 . A A . 26 CYS C 1 1 16 18718 1 1 26 CYS CA C -0.827 9.976 -7.766 1.00 . A A . 26 CYS CA 1 1 16 18719 1 1 26 CYS CB C -0.052 11.132 -8.391 1.00 . A A . 26 CYS CB 1 1 16 18720 1 1 26 CYS H H -2.903 9.637 -8.290 1.00 . A A . 26 CYS H 1 1 16 18721 1 1 26 CYS HA H -0.185 9.112 -7.607 1.00 . A A . 26 CYS HA 1 1 16 18722 1 1 26 CYS HB2 H -0.067 11.120 -9.477 1.00 . A A . 26 CYS HB2 1 1 16 18723 1 1 26 CYS HB3 H -0.473 12.091 -8.090 1.00 . A A . 26 CYS HB3 1 1 16 18724 1 1 26 CYS N N -1.938 9.565 -8.634 1.00 . A A . 26 CYS N 1 1 16 18725 1 1 26 CYS O O -1.065 9.863 -5.355 1.00 . A A . 26 CYS O 1 1 16 18726 1 1 26 CYS SG S 1.679 11.104 -7.881 1.00 . A A . 26 CYS SG 1 1 16 18727 1 1 27 ASP C C -3.732 10.756 -4.607 1.00 . A A . 27 ASP C 1 1 16 18728 1 1 27 ASP CA C -3.291 11.841 -5.581 1.00 . A A . 27 ASP CA 1 1 16 18729 1 1 27 ASP CB C -4.507 12.351 -6.380 1.00 . A A . 27 ASP CB 1 1 16 18730 1 1 27 ASP CG C -5.138 11.312 -7.321 1.00 . A A . 27 ASP CG 1 1 16 18731 1 1 27 ASP H H -2.665 11.381 -7.502 1.00 . A A . 27 ASP H 1 1 16 18732 1 1 27 ASP HA H -2.848 12.666 -5.024 1.00 . A A . 27 ASP HA 1 1 16 18733 1 1 27 ASP HB2 H -5.264 12.680 -5.665 1.00 . A A . 27 ASP HB2 1 1 16 18734 1 1 27 ASP HB3 H -4.206 13.211 -6.977 1.00 . A A . 27 ASP HB3 1 1 16 18735 1 1 27 ASP N N -2.329 11.337 -6.545 1.00 . A A . 27 ASP N 1 1 16 18736 1 1 27 ASP O O -3.765 10.967 -3.399 1.00 . A A . 27 ASP O 1 1 16 18737 1 1 27 ASP OD1 O -4.398 10.390 -7.758 1.00 . A A . 27 ASP OD1 1 1 16 18738 1 1 27 ASP OD2 O -6.347 11.456 -7.583 1.00 . A A . 27 ASP OD2 1 1 16 18739 1 1 28 ALA C C -3.766 8.074 -3.235 1.00 . A A . 28 ALA C 1 1 16 18740 1 1 28 ALA CA C -4.550 8.408 -4.505 1.00 . A A . 28 ALA CA 1 1 16 18741 1 1 28 ALA CB C -4.488 7.259 -5.506 1.00 . A A . 28 ALA CB 1 1 16 18742 1 1 28 ALA H H -4.024 9.597 -6.190 1.00 . A A . 28 ALA H 1 1 16 18743 1 1 28 ALA HA H -5.592 8.579 -4.234 1.00 . A A . 28 ALA HA 1 1 16 18744 1 1 28 ALA HB1 H -5.048 7.540 -6.398 1.00 . A A . 28 ALA HB1 1 1 16 18745 1 1 28 ALA HB2 H -3.452 7.055 -5.781 1.00 . A A . 28 ALA HB2 1 1 16 18746 1 1 28 ALA HB3 H -4.933 6.372 -5.060 1.00 . A A . 28 ALA HB3 1 1 16 18747 1 1 28 ALA N N -4.059 9.596 -5.173 1.00 . A A . 28 ALA N 1 1 16 18748 1 1 28 ALA O O -4.343 7.551 -2.285 1.00 . A A . 28 ALA O 1 1 16 18749 1 1 29 CYS C C -0.971 9.547 -1.696 1.00 . A A . 29 CYS C 1 1 16 18750 1 1 29 CYS CA C -1.607 8.206 -2.062 1.00 . A A . 29 CYS CA 1 1 16 18751 1 1 29 CYS CB C -0.548 7.175 -2.347 1.00 . A A . 29 CYS CB 1 1 16 18752 1 1 29 CYS H H -2.071 8.789 -4.068 1.00 . A A . 29 CYS H 1 1 16 18753 1 1 29 CYS HA H -2.185 7.868 -1.201 1.00 . A A . 29 CYS HA 1 1 16 18754 1 1 29 CYS HB2 H 0.111 7.567 -3.121 1.00 . A A . 29 CYS HB2 1 1 16 18755 1 1 29 CYS HB3 H 0.036 6.991 -1.445 1.00 . A A . 29 CYS HB3 1 1 16 18756 1 1 29 CYS N N -2.461 8.362 -3.233 1.00 . A A . 29 CYS N 1 1 16 18757 1 1 29 CYS O O -0.966 9.955 -0.535 1.00 . A A . 29 CYS O 1 1 16 18758 1 1 29 CYS SG S -1.293 5.612 -2.914 1.00 . A A . 29 CYS SG 1 1 16 18759 1 1 30 HIS C C -0.564 12.646 -2.544 1.00 . A A . 30 HIS C 1 1 16 18760 1 1 30 HIS CA C 0.359 11.449 -2.454 1.00 . A A . 30 HIS CA 1 1 16 18761 1 1 30 HIS CB C 1.485 11.557 -3.471 1.00 . A A . 30 HIS CB 1 1 16 18762 1 1 30 HIS CD2 C 2.820 9.481 -4.038 1.00 . A A . 30 HIS CD2 1 1 16 18763 1 1 30 HIS CE1 C 4.384 9.575 -2.514 1.00 . A A . 30 HIS CE1 1 1 16 18764 1 1 30 HIS CG C 2.541 10.529 -3.225 1.00 . A A . 30 HIS CG 1 1 16 18765 1 1 30 HIS H H -0.516 9.926 -3.641 1.00 . A A . 30 HIS H 1 1 16 18766 1 1 30 HIS HA H 0.812 11.440 -1.461 1.00 . A A . 30 HIS HA 1 1 16 18767 1 1 30 HIS HB2 H 1.077 11.452 -4.478 1.00 . A A . 30 HIS HB2 1 1 16 18768 1 1 30 HIS HB3 H 1.925 12.549 -3.401 1.00 . A A . 30 HIS HB3 1 1 16 18769 1 1 30 HIS HD1 H 3.593 11.297 -1.563 1.00 . A A . 30 HIS HD1 1 1 16 18770 1 1 30 HIS HD2 H 2.286 9.192 -4.921 1.00 . A A . 30 HIS HD2 1 1 16 18771 1 1 30 HIS HE1 H 5.296 9.344 -1.991 1.00 . A A . 30 HIS HE1 1 1 16 18772 1 1 30 HIS N N -0.395 10.234 -2.682 1.00 . A A . 30 HIS N 1 1 16 18773 1 1 30 HIS ND1 N 3.522 10.583 -2.267 1.00 . A A . 30 HIS ND1 1 1 16 18774 1 1 30 HIS NE2 N 3.993 8.889 -3.591 1.00 . A A . 30 HIS NE2 1 1 16 18775 1 1 30 HIS O O -0.587 13.341 -3.560 1.00 . A A . 30 HIS O 1 1 16 18776 1 1 31 GLU C C -1.382 15.332 -1.708 1.00 . A A . 31 GLU C 1 1 16 18777 1 1 31 GLU CA C -2.143 14.061 -1.354 1.00 . A A . 31 GLU CA 1 1 16 18778 1 1 31 GLU CB C -2.782 14.150 0.029 1.00 . A A . 31 GLU CB 1 1 16 18779 1 1 31 GLU CD C -4.616 13.050 1.390 1.00 . A A . 31 GLU CD 1 1 16 18780 1 1 31 GLU CG C -4.026 13.266 -0.001 1.00 . A A . 31 GLU CG 1 1 16 18781 1 1 31 GLU H H -1.232 12.237 -0.692 1.00 . A A . 31 GLU H 1 1 16 18782 1 1 31 GLU HA H -2.939 13.925 -2.089 1.00 . A A . 31 GLU HA 1 1 16 18783 1 1 31 GLU HB2 H -2.086 13.819 0.803 1.00 . A A . 31 GLU HB2 1 1 16 18784 1 1 31 GLU HB3 H -3.093 15.172 0.252 1.00 . A A . 31 GLU HB3 1 1 16 18785 1 1 31 GLU HG2 H -4.779 13.736 -0.628 1.00 . A A . 31 GLU HG2 1 1 16 18786 1 1 31 GLU HG3 H -3.764 12.326 -0.480 1.00 . A A . 31 GLU HG3 1 1 16 18787 1 1 31 GLU N N -1.286 12.898 -1.456 1.00 . A A . 31 GLU N 1 1 16 18788 1 1 31 GLU O O -0.339 15.652 -1.137 1.00 . A A . 31 GLU O 1 1 16 18789 1 1 31 GLU OE1 O -4.374 13.926 2.250 1.00 . A A . 31 GLU OE1 1 1 16 18790 1 1 31 GLU OE2 O -5.310 12.027 1.563 1.00 . A A . 31 GLU OE2 1 1 16 18791 1 1 32 GLY C C -0.097 17.036 -4.054 1.00 . A A . 32 GLY C 1 1 16 18792 1 1 32 GLY CA C -1.358 17.271 -3.219 1.00 . A A . 32 GLY CA 1 1 16 18793 1 1 32 GLY H H -2.767 15.646 -3.088 1.00 . A A . 32 GLY H 1 1 16 18794 1 1 32 GLY HA2 H -2.108 17.748 -3.849 1.00 . A A . 32 GLY HA2 1 1 16 18795 1 1 32 GLY HA3 H -1.121 17.945 -2.396 1.00 . A A . 32 GLY HA3 1 1 16 18796 1 1 32 GLY N N -1.922 16.038 -2.696 1.00 . A A . 32 GLY N 1 1 16 18797 1 1 32 GLY O O -0.065 17.394 -5.229 1.00 . A A . 32 GLY O 1 1 16 18798 1 1 33 THR C C 3.102 15.332 -3.277 1.00 . A A . 33 THR C 1 1 16 18799 1 1 33 THR CA C 2.272 16.354 -4.071 1.00 . A A . 33 THR CA 1 1 16 18800 1 1 33 THR CB C 2.945 17.739 -4.146 1.00 . A A . 33 THR CB 1 1 16 18801 1 1 33 THR CG2 C 3.161 18.374 -2.766 1.00 . A A . 33 THR CG2 1 1 16 18802 1 1 33 THR H H 0.860 16.179 -2.484 1.00 . A A . 33 THR H 1 1 16 18803 1 1 33 THR HA H 2.118 15.988 -5.087 1.00 . A A . 33 THR HA 1 1 16 18804 1 1 33 THR HB H 2.306 18.404 -4.730 1.00 . A A . 33 THR HB 1 1 16 18805 1 1 33 THR HG1 H 4.570 18.535 -4.868 1.00 . A A . 33 THR HG1 1 1 16 18806 1 1 33 THR HG21 H 3.853 17.774 -2.175 1.00 . A A . 33 THR HG21 1 1 16 18807 1 1 33 THR HG22 H 3.577 19.374 -2.884 1.00 . A A . 33 THR HG22 1 1 16 18808 1 1 33 THR HG23 H 2.214 18.455 -2.231 1.00 . A A . 33 THR HG23 1 1 16 18809 1 1 33 THR N N 0.961 16.492 -3.448 1.00 . A A . 33 THR N 1 1 16 18810 1 1 33 THR O O 2.921 15.233 -2.064 1.00 . A A . 33 THR O 1 1 16 18811 1 1 33 THR OG1 O 4.186 17.656 -4.810 1.00 . A A . 33 THR OG1 1 1 16 18812 1 1 34 PRO C C 5.984 14.054 -2.546 1.00 . A A . 34 PRO C 1 1 16 18813 1 1 34 PRO CA C 4.737 13.502 -3.240 1.00 . A A . 34 PRO CA 1 1 16 18814 1 1 34 PRO CB C 5.129 12.499 -4.323 1.00 . A A . 34 PRO CB 1 1 16 18815 1 1 34 PRO CD C 4.158 14.425 -5.358 1.00 . A A . 34 PRO CD 1 1 16 18816 1 1 34 PRO CG C 5.268 13.388 -5.543 1.00 . A A . 34 PRO CG 1 1 16 18817 1 1 34 PRO HA H 4.120 13.011 -2.500 1.00 . A A . 34 PRO HA 1 1 16 18818 1 1 34 PRO HB2 H 6.042 11.953 -4.088 1.00 . A A . 34 PRO HB2 1 1 16 18819 1 1 34 PRO HB3 H 4.322 11.805 -4.531 1.00 . A A . 34 PRO HB3 1 1 16 18820 1 1 34 PRO HD2 H 4.449 15.370 -5.813 1.00 . A A . 34 PRO HD2 1 1 16 18821 1 1 34 PRO HD3 H 3.240 14.052 -5.819 1.00 . A A . 34 PRO HD3 1 1 16 18822 1 1 34 PRO HG2 H 6.241 13.870 -5.498 1.00 . A A . 34 PRO HG2 1 1 16 18823 1 1 34 PRO HG3 H 5.144 12.803 -6.449 1.00 . A A . 34 PRO HG3 1 1 16 18824 1 1 34 PRO N N 3.969 14.531 -3.920 1.00 . A A . 34 PRO N 1 1 16 18825 1 1 34 PRO O O 6.571 15.042 -2.982 1.00 . A A . 34 PRO O 1 1 16 18826 1 1 35 ALA C C 7.970 12.315 -0.005 1.00 . A A . 35 ALA C 1 1 16 18827 1 1 35 ALA CA C 7.665 13.595 -0.784 1.00 . A A . 35 ALA CA 1 1 16 18828 1 1 35 ALA CB C 7.518 14.814 0.133 1.00 . A A . 35 ALA CB 1 1 16 18829 1 1 35 ALA H H 5.875 12.564 -1.175 1.00 . A A . 35 ALA H 1 1 16 18830 1 1 35 ALA HA H 8.471 13.780 -1.498 1.00 . A A . 35 ALA HA 1 1 16 18831 1 1 35 ALA HB1 H 6.697 14.660 0.834 1.00 . A A . 35 ALA HB1 1 1 16 18832 1 1 35 ALA HB2 H 8.442 14.968 0.691 1.00 . A A . 35 ALA HB2 1 1 16 18833 1 1 35 ALA HB3 H 7.315 15.706 -0.462 1.00 . A A . 35 ALA HB3 1 1 16 18834 1 1 35 ALA N N 6.417 13.357 -1.493 1.00 . A A . 35 ALA N 1 1 16 18835 1 1 35 ALA O O 8.006 12.319 1.222 1.00 . A A . 35 ALA O 1 1 16 18836 1 1 36 LYS C C 6.600 9.709 0.558 1.00 . A A . 36 LYS C 1 1 16 18837 1 1 36 LYS CA C 7.878 9.850 -0.267 1.00 . A A . 36 LYS CA 1 1 16 18838 1 1 36 LYS CB C 9.139 9.258 0.366 1.00 . A A . 36 LYS CB 1 1 16 18839 1 1 36 LYS CD C 10.645 9.002 2.359 1.00 . A A . 36 LYS CD 1 1 16 18840 1 1 36 LYS CE C 11.679 8.402 1.394 1.00 . A A . 36 LYS CE 1 1 16 18841 1 1 36 LYS CG C 9.625 9.914 1.663 1.00 . A A . 36 LYS CG 1 1 16 18842 1 1 36 LYS H H 8.211 11.290 -1.737 1.00 . A A . 36 LYS H 1 1 16 18843 1 1 36 LYS HA H 7.664 9.270 -1.154 1.00 . A A . 36 LYS HA 1 1 16 18844 1 1 36 LYS HB2 H 8.978 8.197 0.545 1.00 . A A . 36 LYS HB2 1 1 16 18845 1 1 36 LYS HB3 H 9.932 9.362 -0.366 1.00 . A A . 36 LYS HB3 1 1 16 18846 1 1 36 LYS HD2 H 11.136 9.557 3.161 1.00 . A A . 36 LYS HD2 1 1 16 18847 1 1 36 LYS HD3 H 10.100 8.171 2.821 1.00 . A A . 36 LYS HD3 1 1 16 18848 1 1 36 LYS HE2 H 12.381 7.807 1.964 1.00 . A A . 36 LYS HE2 1 1 16 18849 1 1 36 LYS HE3 H 11.192 7.716 0.699 1.00 . A A . 36 LYS HE3 1 1 16 18850 1 1 36 LYS HG2 H 10.065 10.887 1.444 1.00 . A A . 36 LYS HG2 1 1 16 18851 1 1 36 LYS HG3 H 8.785 10.075 2.342 1.00 . A A . 36 LYS HG3 1 1 16 18852 1 1 36 LYS HZ1 H 11.773 10.104 0.239 1.00 . A A . 36 LYS HZ1 1 1 16 18853 1 1 36 LYS HZ2 H 13.132 9.881 1.158 1.00 . A A . 36 LYS HZ2 1 1 16 18854 1 1 36 LYS HZ3 H 12.814 9.004 -0.222 1.00 . A A . 36 LYS HZ3 1 1 16 18855 1 1 36 LYS N N 8.115 11.204 -0.741 1.00 . A A . 36 LYS N 1 1 16 18856 1 1 36 LYS NZ N 12.411 9.425 0.623 1.00 . A A . 36 LYS NZ 1 1 16 18857 1 1 36 LYS O O 5.746 10.596 0.521 1.00 . A A . 36 LYS O 1 1 16 18858 1 1 37 ILE C C 6.473 7.889 3.513 1.00 . A A . 37 ILE C 1 1 16 18859 1 1 37 ILE CA C 5.589 8.501 2.418 1.00 . A A . 37 ILE CA 1 1 16 18860 1 1 37 ILE CB C 4.291 7.715 2.120 1.00 . A A . 37 ILE CB 1 1 16 18861 1 1 37 ILE CD1 C 2.738 9.330 0.799 1.00 . A A . 37 ILE CD1 1 1 16 18862 1 1 37 ILE CG1 C 3.597 8.061 0.803 1.00 . A A . 37 ILE CG1 1 1 16 18863 1 1 37 ILE CG2 C 3.275 7.881 3.265 1.00 . A A . 37 ILE CG2 1 1 16 18864 1 1 37 ILE H H 7.116 7.817 1.148 1.00 . A A . 37 ILE H 1 1 16 18865 1 1 37 ILE HA H 5.318 9.506 2.746 1.00 . A A . 37 ILE HA 1 1 16 18866 1 1 37 ILE HB H 4.538 6.665 1.964 1.00 . A A . 37 ILE HB 1 1 16 18867 1 1 37 ILE HD11 H 2.337 9.481 -0.202 1.00 . A A . 37 ILE HD11 1 1 16 18868 1 1 37 ILE HD12 H 1.891 9.228 1.475 1.00 . A A . 37 ILE HD12 1 1 16 18869 1 1 37 ILE HD13 H 3.327 10.200 1.089 1.00 . A A . 37 ILE HD13 1 1 16 18870 1 1 37 ILE HG12 H 4.334 8.090 0.008 1.00 . A A . 37 ILE HG12 1 1 16 18871 1 1 37 ILE HG13 H 2.949 7.214 0.606 1.00 . A A . 37 ILE HG13 1 1 16 18872 1 1 37 ILE HG21 H 3.630 7.463 4.204 1.00 . A A . 37 ILE HG21 1 1 16 18873 1 1 37 ILE HG22 H 3.072 8.939 3.435 1.00 . A A . 37 ILE HG22 1 1 16 18874 1 1 37 ILE HG23 H 2.343 7.385 2.996 1.00 . A A . 37 ILE HG23 1 1 16 18875 1 1 37 ILE N N 6.450 8.578 1.253 1.00 . A A . 37 ILE N 1 1 16 18876 1 1 37 ILE O O 7.534 8.438 3.801 1.00 . A A . 37 ILE O 1 1 16 18877 1 1 38 ALA C C 5.623 5.037 5.681 1.00 . A A . 38 ALA C 1 1 16 18878 1 1 38 ALA CA C 6.694 5.978 5.133 1.00 . A A . 38 ALA CA 1 1 16 18879 1 1 38 ALA CB C 7.199 6.893 6.250 1.00 . A A . 38 ALA CB 1 1 16 18880 1 1 38 ALA H H 5.183 6.393 3.738 1.00 . A A . 38 ALA H 1 1 16 18881 1 1 38 ALA HA H 7.525 5.394 4.733 1.00 . A A . 38 ALA HA 1 1 16 18882 1 1 38 ALA HB1 H 6.400 7.588 6.505 1.00 . A A . 38 ALA HB1 1 1 16 18883 1 1 38 ALA HB2 H 7.456 6.292 7.124 1.00 . A A . 38 ALA HB2 1 1 16 18884 1 1 38 ALA HB3 H 8.087 7.436 5.935 1.00 . A A . 38 ALA HB3 1 1 16 18885 1 1 38 ALA N N 6.064 6.747 4.066 1.00 . A A . 38 ALA N 1 1 16 18886 1 1 38 ALA O O 5.159 5.201 6.806 1.00 . A A . 38 ALA O 1 1 16 18887 1 1 39 ILE C C 4.727 1.940 5.837 1.00 . A A . 39 ILE C 1 1 16 18888 1 1 39 ILE CA C 4.107 3.185 5.243 1.00 . A A . 39 ILE CA 1 1 16 18889 1 1 39 ILE CB C 3.228 2.853 4.041 1.00 . A A . 39 ILE CB 1 1 16 18890 1 1 39 ILE CD1 C 1.891 5.002 4.545 1.00 . A A . 39 ILE CD1 1 1 16 18891 1 1 39 ILE CG1 C 2.579 4.128 3.493 1.00 . A A . 39 ILE CG1 1 1 16 18892 1 1 39 ILE CG2 C 2.179 1.791 4.397 1.00 . A A . 39 ILE CG2 1 1 16 18893 1 1 39 ILE H H 5.618 3.956 3.960 1.00 . A A . 39 ILE H 1 1 16 18894 1 1 39 ILE HA H 3.463 3.618 6.017 1.00 . A A . 39 ILE HA 1 1 16 18895 1 1 39 ILE HB H 3.856 2.442 3.255 1.00 . A A . 39 ILE HB 1 1 16 18896 1 1 39 ILE HD11 H 2.629 5.562 5.118 1.00 . A A . 39 ILE HD11 1 1 16 18897 1 1 39 ILE HD12 H 1.218 5.703 4.054 1.00 . A A . 39 ILE HD12 1 1 16 18898 1 1 39 ILE HD13 H 1.315 4.392 5.232 1.00 . A A . 39 ILE HD13 1 1 16 18899 1 1 39 ILE HG12 H 3.352 4.728 3.020 1.00 . A A . 39 ILE HG12 1 1 16 18900 1 1 39 ILE HG13 H 1.858 3.827 2.740 1.00 . A A . 39 ILE HG13 1 1 16 18901 1 1 39 ILE HG21 H 1.532 1.609 3.543 1.00 . A A . 39 ILE HG21 1 1 16 18902 1 1 39 ILE HG22 H 2.656 0.846 4.653 1.00 . A A . 39 ILE HG22 1 1 16 18903 1 1 39 ILE HG23 H 1.580 2.126 5.241 1.00 . A A . 39 ILE HG23 1 1 16 18904 1 1 39 ILE N N 5.168 4.098 4.853 1.00 . A A . 39 ILE N 1 1 16 18905 1 1 39 ILE O O 5.389 1.168 5.150 1.00 . A A . 39 ILE O 1 1 16 18906 1 1 40 ASP C C 3.577 0.168 8.716 1.00 . A A . 40 ASP C 1 1 16 18907 1 1 40 ASP CA C 4.783 0.578 7.883 1.00 . A A . 40 ASP CA 1 1 16 18908 1 1 40 ASP CB C 6.016 0.832 8.761 1.00 . A A . 40 ASP CB 1 1 16 18909 1 1 40 ASP CG C 5.759 1.767 9.941 1.00 . A A . 40 ASP CG 1 1 16 18910 1 1 40 ASP H H 3.904 2.463 7.588 1.00 . A A . 40 ASP H 1 1 16 18911 1 1 40 ASP HA H 5.032 -0.230 7.202 1.00 . A A . 40 ASP HA 1 1 16 18912 1 1 40 ASP HB2 H 6.386 -0.120 9.135 1.00 . A A . 40 ASP HB2 1 1 16 18913 1 1 40 ASP HB3 H 6.801 1.236 8.140 1.00 . A A . 40 ASP HB3 1 1 16 18914 1 1 40 ASP N N 4.450 1.755 7.118 1.00 . A A . 40 ASP N 1 1 16 18915 1 1 40 ASP O O 2.482 0.736 8.595 1.00 . A A . 40 ASP O 1 1 16 18916 1 1 40 ASP OD1 O 4.833 2.600 9.831 1.00 . A A . 40 ASP OD1 1 1 16 18917 1 1 40 ASP OD2 O 6.493 1.620 10.943 1.00 . A A . 40 ASP OD2 1 1 16 18918 1 1 41 LYS C C 2.123 -0.240 11.164 1.00 . A A . 41 LYS C 1 1 16 18919 1 1 41 LYS CA C 3.035 -1.338 10.637 1.00 . A A . 41 LYS CA 1 1 16 18920 1 1 41 LYS CB C 3.976 -1.888 11.714 1.00 . A A . 41 LYS CB 1 1 16 18921 1 1 41 LYS CD C 6.042 -1.321 13.142 1.00 . A A . 41 LYS CD 1 1 16 18922 1 1 41 LYS CE C 7.165 -0.272 13.189 1.00 . A A . 41 LYS CE 1 1 16 18923 1 1 41 LYS CG C 5.168 -0.953 11.945 1.00 . A A . 41 LYS CG 1 1 16 18924 1 1 41 LYS H H 4.651 -1.406 9.332 1.00 . A A . 41 LYS H 1 1 16 18925 1 1 41 LYS HA H 2.435 -2.174 10.273 1.00 . A A . 41 LYS HA 1 1 16 18926 1 1 41 LYS HB2 H 3.415 -2.020 12.632 1.00 . A A . 41 LYS HB2 1 1 16 18927 1 1 41 LYS HB3 H 4.338 -2.862 11.388 1.00 . A A . 41 LYS HB3 1 1 16 18928 1 1 41 LYS HD2 H 5.439 -1.296 14.052 1.00 . A A . 41 LYS HD2 1 1 16 18929 1 1 41 LYS HD3 H 6.443 -2.327 12.988 1.00 . A A . 41 LYS HD3 1 1 16 18930 1 1 41 LYS HE2 H 7.699 -0.272 12.236 1.00 . A A . 41 LYS HE2 1 1 16 18931 1 1 41 LYS HE3 H 6.727 0.720 13.326 1.00 . A A . 41 LYS HE3 1 1 16 18932 1 1 41 LYS HG2 H 5.807 -0.987 11.065 1.00 . A A . 41 LYS HG2 1 1 16 18933 1 1 41 LYS HG3 H 4.809 0.069 12.073 1.00 . A A . 41 LYS HG3 1 1 16 18934 1 1 41 LYS HZ1 H 8.845 0.195 14.235 1.00 . A A . 41 LYS HZ1 1 1 16 18935 1 1 41 LYS HZ2 H 7.671 -0.491 15.164 1.00 . A A . 41 LYS HZ2 1 1 16 18936 1 1 41 LYS HZ3 H 8.566 -1.426 14.135 1.00 . A A . 41 LYS HZ3 1 1 16 18937 1 1 41 LYS N N 3.811 -0.869 9.522 1.00 . A A . 41 LYS N 1 1 16 18938 1 1 41 LYS NZ N 8.134 -0.522 14.268 1.00 . A A . 41 LYS NZ 1 1 16 18939 1 1 41 LYS O O 2.534 0.866 11.502 1.00 . A A . 41 LYS O 1 1 16 18940 1 1 42 LYS C C -0.738 1.047 10.307 1.00 . A A . 42 LYS C 1 1 16 18941 1 1 42 LYS CA C -0.264 0.266 11.533 1.00 . A A . 42 LYS CA 1 1 16 18942 1 1 42 LYS CB C 0.052 1.153 12.744 1.00 . A A . 42 LYS CB 1 1 16 18943 1 1 42 LYS CD C -0.952 2.375 14.659 1.00 . A A . 42 LYS CD 1 1 16 18944 1 1 42 LYS CE C -2.224 2.714 15.448 1.00 . A A . 42 LYS CE 1 1 16 18945 1 1 42 LYS CG C -1.236 1.394 13.514 1.00 . A A . 42 LYS CG 1 1 16 18946 1 1 42 LYS H H 0.663 -1.528 10.924 1.00 . A A . 42 LYS H 1 1 16 18947 1 1 42 LYS HA H -1.065 -0.422 11.808 1.00 . A A . 42 LYS HA 1 1 16 18948 1 1 42 LYS HB2 H 0.744 0.642 13.415 1.00 . A A . 42 LYS HB2 1 1 16 18949 1 1 42 LYS HB3 H 0.493 2.099 12.429 1.00 . A A . 42 LYS HB3 1 1 16 18950 1 1 42 LYS HD2 H -0.206 1.926 15.320 1.00 . A A . 42 LYS HD2 1 1 16 18951 1 1 42 LYS HD3 H -0.531 3.288 14.230 1.00 . A A . 42 LYS HD3 1 1 16 18952 1 1 42 LYS HE2 H -2.959 3.151 14.770 1.00 . A A . 42 LYS HE2 1 1 16 18953 1 1 42 LYS HE3 H -2.641 1.797 15.868 1.00 . A A . 42 LYS HE3 1 1 16 18954 1 1 42 LYS HG2 H -1.981 1.786 12.823 1.00 . A A . 42 LYS HG2 1 1 16 18955 1 1 42 LYS HG3 H -1.553 0.411 13.872 1.00 . A A . 42 LYS HG3 1 1 16 18956 1 1 42 LYS HZ1 H -1.569 4.529 16.174 1.00 . A A . 42 LYS HZ1 1 1 16 18957 1 1 42 LYS HZ2 H -2.806 3.880 17.039 1.00 . A A . 42 LYS HZ2 1 1 16 18958 1 1 42 LYS HZ3 H -1.289 3.274 17.198 1.00 . A A . 42 LYS HZ3 1 1 16 18959 1 1 42 LYS N N 0.847 -0.587 11.200 1.00 . A A . 42 LYS N 1 1 16 18960 1 1 42 LYS NZ N -1.950 3.669 16.544 1.00 . A A . 42 LYS NZ 1 1 16 18961 1 1 42 LYS O O -1.833 0.767 9.821 1.00 . A A . 42 LYS O 1 1 16 18962 1 1 43 SER C C -0.903 2.095 7.551 1.00 . A A . 43 SER C 1 1 16 18963 1 1 43 SER CA C -0.430 2.909 8.754 1.00 . A A . 43 SER CA 1 1 16 18964 1 1 43 SER CB C 0.648 3.941 8.386 1.00 . A A . 43 SER CB 1 1 16 18965 1 1 43 SER H H 1.023 2.062 10.080 1.00 . A A . 43 SER H 1 1 16 18966 1 1 43 SER HA H -1.293 3.443 9.151 1.00 . A A . 43 SER HA 1 1 16 18967 1 1 43 SER HB2 H 1.601 3.733 8.878 1.00 . A A . 43 SER HB2 1 1 16 18968 1 1 43 SER HB3 H 0.807 3.935 7.310 1.00 . A A . 43 SER HB3 1 1 16 18969 1 1 43 SER HG H -0.611 5.404 8.222 1.00 . A A . 43 SER HG 1 1 16 18970 1 1 43 SER N N 0.047 2.004 9.799 1.00 . A A . 43 SER N 1 1 16 18971 1 1 43 SER O O -2.040 2.224 7.095 1.00 . A A . 43 SER O 1 1 16 18972 1 1 43 SER OG O 0.192 5.227 8.748 1.00 . A A . 43 SER OG 1 1 16 18973 1 1 44 ALA C C -1.806 -0.426 6.318 1.00 . A A . 44 ALA C 1 1 16 18974 1 1 44 ALA CA C -0.343 0.012 6.304 1.00 . A A . 44 ALA CA 1 1 16 18975 1 1 44 ALA CB C 0.497 -1.123 6.862 1.00 . A A . 44 ALA CB 1 1 16 18976 1 1 44 ALA H H 0.861 1.145 7.610 1.00 . A A . 44 ALA H 1 1 16 18977 1 1 44 ALA HA H -0.029 0.194 5.278 1.00 . A A . 44 ALA HA 1 1 16 18978 1 1 44 ALA HB1 H 0.240 -2.034 6.334 1.00 . A A . 44 ALA HB1 1 1 16 18979 1 1 44 ALA HB2 H 1.536 -0.849 6.719 1.00 . A A . 44 ALA HB2 1 1 16 18980 1 1 44 ALA HB3 H 0.324 -1.268 7.929 1.00 . A A . 44 ALA HB3 1 1 16 18981 1 1 44 ALA N N -0.043 1.162 7.142 1.00 . A A . 44 ALA N 1 1 16 18982 1 1 44 ALA O O -2.476 -0.479 5.284 1.00 . A A . 44 ALA O 1 1 16 18983 1 1 45 HIS C C -4.640 -0.375 7.978 1.00 . A A . 45 HIS C 1 1 16 18984 1 1 45 HIS CA C -3.554 -1.432 7.719 1.00 . A A . 45 HIS CA 1 1 16 18985 1 1 45 HIS CB C -3.444 -2.378 8.922 1.00 . A A . 45 HIS CB 1 1 16 18986 1 1 45 HIS CD2 C -1.769 -4.081 7.797 1.00 . A A . 45 HIS CD2 1 1 16 18987 1 1 45 HIS CE1 C -1.576 -5.447 9.502 1.00 . A A . 45 HIS CE1 1 1 16 18988 1 1 45 HIS CG C -2.525 -3.585 8.843 1.00 . A A . 45 HIS CG 1 1 16 18989 1 1 45 HIS H H -1.710 -0.599 8.327 1.00 . A A . 45 HIS H 1 1 16 18990 1 1 45 HIS HA H -3.826 -2.006 6.836 1.00 . A A . 45 HIS HA 1 1 16 18991 1 1 45 HIS HB2 H -3.133 -1.786 9.784 1.00 . A A . 45 HIS HB2 1 1 16 18992 1 1 45 HIS HB3 H -4.445 -2.754 9.140 1.00 . A A . 45 HIS HB3 1 1 16 18993 1 1 45 HIS HD1 H -2.759 -4.333 10.829 1.00 . A A . 45 HIS HD1 1 1 16 18994 1 1 45 HIS HD2 H -1.645 -3.645 6.818 1.00 . A A . 45 HIS HD2 1 1 16 18995 1 1 45 HIS HE1 H -1.263 -6.258 10.137 1.00 . A A . 45 HIS HE1 1 1 16 18996 1 1 45 HIS N N -2.266 -0.809 7.506 1.00 . A A . 45 HIS N 1 1 16 18997 1 1 45 HIS ND1 N -2.375 -4.450 9.901 1.00 . A A . 45 HIS ND1 1 1 16 18998 1 1 45 HIS NE2 N -1.197 -5.298 8.225 1.00 . A A . 45 HIS NE2 1 1 16 18999 1 1 45 HIS O O -5.824 -0.700 7.934 1.00 . A A . 45 HIS O 1 1 16 19000 1 1 46 LYS C C -5.485 2.841 7.575 1.00 . A A . 46 LYS C 1 1 16 19001 1 1 46 LYS CA C -5.131 1.925 8.751 1.00 . A A . 46 LYS CA 1 1 16 19002 1 1 46 LYS CB C -4.398 2.654 9.896 1.00 . A A . 46 LYS CB 1 1 16 19003 1 1 46 LYS CD C -5.643 4.909 9.919 1.00 . A A . 46 LYS CD 1 1 16 19004 1 1 46 LYS CE C -5.610 6.216 10.727 1.00 . A A . 46 LYS CE 1 1 16 19005 1 1 46 LYS CG C -5.193 3.678 10.717 1.00 . A A . 46 LYS CG 1 1 16 19006 1 1 46 LYS H H -3.253 1.061 8.313 1.00 . A A . 46 LYS H 1 1 16 19007 1 1 46 LYS HA H -6.052 1.500 9.154 1.00 . A A . 46 LYS HA 1 1 16 19008 1 1 46 LYS HB2 H -4.077 1.890 10.605 1.00 . A A . 46 LYS HB2 1 1 16 19009 1 1 46 LYS HB3 H -3.503 3.139 9.511 1.00 . A A . 46 LYS HB3 1 1 16 19010 1 1 46 LYS HD2 H -4.982 5.043 9.073 1.00 . A A . 46 LYS HD2 1 1 16 19011 1 1 46 LYS HD3 H -6.652 4.735 9.537 1.00 . A A . 46 LYS HD3 1 1 16 19012 1 1 46 LYS HE2 H -6.211 6.957 10.195 1.00 . A A . 46 LYS HE2 1 1 16 19013 1 1 46 LYS HE3 H -6.047 6.061 11.714 1.00 . A A . 46 LYS HE3 1 1 16 19014 1 1 46 LYS HG2 H -6.061 3.190 11.162 1.00 . A A . 46 LYS HG2 1 1 16 19015 1 1 46 LYS HG3 H -4.522 3.991 11.514 1.00 . A A . 46 LYS HG3 1 1 16 19016 1 1 46 LYS HZ1 H -3.832 6.874 9.911 1.00 . A A . 46 LYS HZ1 1 1 16 19017 1 1 46 LYS HZ2 H -4.224 7.654 11.301 1.00 . A A . 46 LYS HZ2 1 1 16 19018 1 1 46 LYS HZ3 H -3.621 6.115 11.315 1.00 . A A . 46 LYS HZ3 1 1 16 19019 1 1 46 LYS N N -4.249 0.861 8.297 1.00 . A A . 46 LYS N 1 1 16 19020 1 1 46 LYS NZ N -4.236 6.756 10.841 1.00 . A A . 46 LYS NZ 1 1 16 19021 1 1 46 LYS O O -6.642 2.909 7.156 1.00 . A A . 46 LYS O 1 1 16 19022 1 1 47 ASP C C -3.995 4.427 4.796 1.00 . A A . 47 ASP C 1 1 16 19023 1 1 47 ASP CA C -4.647 4.698 6.147 1.00 . A A . 47 ASP CA 1 1 16 19024 1 1 47 ASP CB C -4.129 6.020 6.747 1.00 . A A . 47 ASP CB 1 1 16 19025 1 1 47 ASP CG C -2.855 5.887 7.568 1.00 . A A . 47 ASP CG 1 1 16 19026 1 1 47 ASP H H -3.551 3.406 7.429 1.00 . A A . 47 ASP H 1 1 16 19027 1 1 47 ASP HA H -5.704 4.848 5.931 1.00 . A A . 47 ASP HA 1 1 16 19028 1 1 47 ASP HB2 H -3.936 6.726 5.939 1.00 . A A . 47 ASP HB2 1 1 16 19029 1 1 47 ASP HB3 H -4.911 6.458 7.366 1.00 . A A . 47 ASP HB3 1 1 16 19030 1 1 47 ASP N N -4.491 3.583 7.081 1.00 . A A . 47 ASP N 1 1 16 19031 1 1 47 ASP O O -4.374 5.062 3.817 1.00 . A A . 47 ASP O 1 1 16 19032 1 1 47 ASP OD1 O -1.930 5.167 7.138 1.00 . A A . 47 ASP OD1 1 1 16 19033 1 1 47 ASP OD2 O -2.853 6.451 8.683 1.00 . A A . 47 ASP OD2 1 1 16 19034 1 1 48 ALA C C -3.082 2.168 2.625 1.00 . A A . 48 ALA C 1 1 16 19035 1 1 48 ALA CA C -2.367 3.238 3.449 1.00 . A A . 48 ALA CA 1 1 16 19036 1 1 48 ALA CB C -0.912 2.893 3.727 1.00 . A A . 48 ALA CB 1 1 16 19037 1 1 48 ALA H H -2.721 3.047 5.558 1.00 . A A . 48 ALA H 1 1 16 19038 1 1 48 ALA HA H -2.344 4.148 2.846 1.00 . A A . 48 ALA HA 1 1 16 19039 1 1 48 ALA HB1 H -0.459 3.755 4.206 1.00 . A A . 48 ALA HB1 1 1 16 19040 1 1 48 ALA HB2 H -0.838 2.041 4.395 1.00 . A A . 48 ALA HB2 1 1 16 19041 1 1 48 ALA HB3 H -0.396 2.686 2.788 1.00 . A A . 48 ALA HB3 1 1 16 19042 1 1 48 ALA N N -3.048 3.494 4.708 1.00 . A A . 48 ALA N 1 1 16 19043 1 1 48 ALA O O -3.866 2.483 1.737 1.00 . A A . 48 ALA O 1 1 16 19044 1 1 49 CYS C C -4.588 -0.594 2.197 1.00 . A A . 49 CYS C 1 1 16 19045 1 1 49 CYS CA C -3.138 -0.182 1.972 1.00 . A A . 49 CYS CA 1 1 16 19046 1 1 49 CYS CB C -2.160 -1.327 2.105 1.00 . A A . 49 CYS CB 1 1 16 19047 1 1 49 CYS H H -2.194 0.659 3.659 1.00 . A A . 49 CYS H 1 1 16 19048 1 1 49 CYS HA H -3.077 0.184 0.953 1.00 . A A . 49 CYS HA 1 1 16 19049 1 1 49 CYS HB2 H -2.360 -1.863 3.025 1.00 . A A . 49 CYS HB2 1 1 16 19050 1 1 49 CYS HB3 H -2.297 -2.025 1.279 1.00 . A A . 49 CYS HB3 1 1 16 19051 1 1 49 CYS N N -2.784 0.894 2.876 1.00 . A A . 49 CYS N 1 1 16 19052 1 1 49 CYS O O -5.445 -0.344 1.349 1.00 . A A . 49 CYS O 1 1 16 19053 1 1 49 CYS SG S -0.420 -0.783 2.201 1.00 . A A . 49 CYS SG 1 1 16 19054 1 1 50 LYS C C -7.305 -0.715 3.556 1.00 . A A . 50 LYS C 1 1 16 19055 1 1 50 LYS CA C -6.209 -1.783 3.615 1.00 . A A . 50 LYS CA 1 1 16 19056 1 1 50 LYS CB C -6.237 -2.496 4.972 1.00 . A A . 50 LYS CB 1 1 16 19057 1 1 50 LYS CD C -5.367 -4.507 6.282 1.00 . A A . 50 LYS CD 1 1 16 19058 1 1 50 LYS CE C -4.294 -5.603 6.194 1.00 . A A . 50 LYS CE 1 1 16 19059 1 1 50 LYS CG C -5.339 -3.735 4.955 1.00 . A A . 50 LYS CG 1 1 16 19060 1 1 50 LYS H H -4.162 -1.269 4.053 1.00 . A A . 50 LYS H 1 1 16 19061 1 1 50 LYS HA H -6.448 -2.542 2.858 1.00 . A A . 50 LYS HA 1 1 16 19062 1 1 50 LYS HB2 H -5.914 -1.800 5.741 1.00 . A A . 50 LYS HB2 1 1 16 19063 1 1 50 LYS HB3 H -7.258 -2.811 5.190 1.00 . A A . 50 LYS HB3 1 1 16 19064 1 1 50 LYS HD2 H -5.157 -3.820 7.100 1.00 . A A . 50 LYS HD2 1 1 16 19065 1 1 50 LYS HD3 H -6.357 -4.943 6.436 1.00 . A A . 50 LYS HD3 1 1 16 19066 1 1 50 LYS HE2 H -4.633 -6.374 5.502 1.00 . A A . 50 LYS HE2 1 1 16 19067 1 1 50 LYS HE3 H -3.383 -5.153 5.802 1.00 . A A . 50 LYS HE3 1 1 16 19068 1 1 50 LYS HG2 H -5.681 -4.399 4.160 1.00 . A A . 50 LYS HG2 1 1 16 19069 1 1 50 LYS HG3 H -4.321 -3.409 4.741 1.00 . A A . 50 LYS HG3 1 1 16 19070 1 1 50 LYS HZ1 H -4.631 -6.891 7.781 1.00 . A A . 50 LYS HZ1 1 1 16 19071 1 1 50 LYS HZ2 H -3.029 -6.664 7.404 1.00 . A A . 50 LYS HZ2 1 1 16 19072 1 1 50 LYS HZ3 H -3.836 -5.502 8.193 1.00 . A A . 50 LYS HZ3 1 1 16 19073 1 1 50 LYS N N -4.886 -1.215 3.345 1.00 . A A . 50 LYS N 1 1 16 19074 1 1 50 LYS NZ N -3.940 -6.216 7.490 1.00 . A A . 50 LYS NZ 1 1 16 19075 1 1 50 LYS O O -8.459 -1.060 3.339 1.00 . A A . 50 LYS O 1 1 16 19076 1 1 51 THR C C -8.664 1.549 2.260 1.00 . A A . 51 THR C 1 1 16 19077 1 1 51 THR CA C -7.953 1.640 3.621 1.00 . A A . 51 THR CA 1 1 16 19078 1 1 51 THR CB C -7.305 3.006 3.933 1.00 . A A . 51 THR CB 1 1 16 19079 1 1 51 THR CG2 C -7.070 3.909 2.716 1.00 . A A . 51 THR CG2 1 1 16 19080 1 1 51 THR H H -6.005 0.800 3.898 1.00 . A A . 51 THR H 1 1 16 19081 1 1 51 THR HA H -8.707 1.450 4.388 1.00 . A A . 51 THR HA 1 1 16 19082 1 1 51 THR HB H -6.334 2.842 4.400 1.00 . A A . 51 THR HB 1 1 16 19083 1 1 51 THR HG1 H -7.765 3.449 5.771 1.00 . A A . 51 THR HG1 1 1 16 19084 1 1 51 THR HG21 H -7.989 4.080 2.157 1.00 . A A . 51 THR HG21 1 1 16 19085 1 1 51 THR HG22 H -6.708 4.880 3.052 1.00 . A A . 51 THR HG22 1 1 16 19086 1 1 51 THR HG23 H -6.316 3.470 2.062 1.00 . A A . 51 THR HG23 1 1 16 19087 1 1 51 THR N N -6.973 0.567 3.741 1.00 . A A . 51 THR N 1 1 16 19088 1 1 51 THR O O -9.894 1.547 2.198 1.00 . A A . 51 THR O 1 1 16 19089 1 1 51 THR OG1 O -8.084 3.694 4.891 1.00 . A A . 51 THR OG1 1 1 16 19090 1 1 52 CYS C C -8.833 -0.424 -0.108 1.00 . A A . 52 CYS C 1 1 16 19091 1 1 52 CYS CA C -8.429 1.042 -0.129 1.00 . A A . 52 CYS CA 1 1 16 19092 1 1 52 CYS CB C -7.372 1.224 -1.181 1.00 . A A . 52 CYS CB 1 1 16 19093 1 1 52 CYS H H -6.887 1.325 1.304 1.00 . A A . 52 CYS H 1 1 16 19094 1 1 52 CYS HA H -9.304 1.649 -0.372 1.00 . A A . 52 CYS HA 1 1 16 19095 1 1 52 CYS HB2 H -6.402 0.883 -0.819 1.00 . A A . 52 CYS HB2 1 1 16 19096 1 1 52 CYS HB3 H -7.633 0.619 -2.048 1.00 . A A . 52 CYS HB3 1 1 16 19097 1 1 52 CYS N N -7.892 1.392 1.180 1.00 . A A . 52 CYS N 1 1 16 19098 1 1 52 CYS O O -9.966 -0.793 -0.428 1.00 . A A . 52 CYS O 1 1 16 19099 1 1 52 CYS SG S -7.246 2.944 -1.723 1.00 . A A . 52 CYS SG 1 1 16 19100 1 1 53 HIS C C -8.879 -3.331 1.290 1.00 . A A . 53 HIS C 1 1 16 19101 1 1 53 HIS CA C -7.931 -2.710 0.247 1.00 . A A . 53 HIS CA 1 1 16 19102 1 1 53 HIS CB C -6.493 -3.248 0.289 1.00 . A A . 53 HIS CB 1 1 16 19103 1 1 53 HIS CD2 C -4.960 -2.229 -1.522 1.00 . A A . 53 HIS CD2 1 1 16 19104 1 1 53 HIS CE1 C -4.945 -3.938 -2.888 1.00 . A A . 53 HIS CE1 1 1 16 19105 1 1 53 HIS CG C -5.803 -3.190 -1.032 1.00 . A A . 53 HIS CG 1 1 16 19106 1 1 53 HIS H H -6.997 -0.844 0.575 1.00 . A A . 53 HIS H 1 1 16 19107 1 1 53 HIS HA H -8.344 -3.000 -0.714 1.00 . A A . 53 HIS HA 1 1 16 19108 1 1 53 HIS HB2 H -5.846 -2.699 0.954 1.00 . A A . 53 HIS HB2 1 1 16 19109 1 1 53 HIS HB3 H -6.511 -4.288 0.613 1.00 . A A . 53 HIS HB3 1 1 16 19110 1 1 53 HIS HD1 H -6.287 -5.097 -1.684 1.00 . A A . 53 HIS HD1 1 1 16 19111 1 1 53 HIS HD2 H -4.689 -1.281 -1.090 1.00 . A A . 53 HIS HD2 1 1 16 19112 1 1 53 HIS HE1 H -4.678 -4.575 -3.715 1.00 . A A . 53 HIS HE1 1 1 16 19113 1 1 53 HIS N N -7.879 -1.262 0.301 1.00 . A A . 53 HIS N 1 1 16 19114 1 1 53 HIS ND1 N -5.786 -4.248 -1.883 1.00 . A A . 53 HIS ND1 1 1 16 19115 1 1 53 HIS NE2 N -4.418 -2.715 -2.711 1.00 . A A . 53 HIS NE2 1 1 16 19116 1 1 53 HIS O O -8.601 -4.398 1.836 1.00 . A A . 53 HIS O 1 1 16 19117 1 1 54 LYS C C -12.421 -3.083 1.192 1.00 . A A . 54 LYS C 1 1 16 19118 1 1 54 LYS CA C -11.222 -3.181 2.155 1.00 . A A . 54 LYS CA 1 1 16 19119 1 1 54 LYS CB C -11.507 -2.393 3.440 1.00 . A A . 54 LYS CB 1 1 16 19120 1 1 54 LYS CD C -10.356 -1.874 5.675 1.00 . A A . 54 LYS CD 1 1 16 19121 1 1 54 LYS CE C -11.531 -1.616 6.628 1.00 . A A . 54 LYS CE 1 1 16 19122 1 1 54 LYS CG C -10.608 -2.909 4.572 1.00 . A A . 54 LYS CG 1 1 16 19123 1 1 54 LYS H H -10.057 -1.731 1.175 1.00 . A A . 54 LYS H 1 1 16 19124 1 1 54 LYS HA H -11.090 -4.222 2.442 1.00 . A A . 54 LYS HA 1 1 16 19125 1 1 54 LYS HB2 H -11.336 -1.332 3.252 1.00 . A A . 54 LYS HB2 1 1 16 19126 1 1 54 LYS HB3 H -12.548 -2.548 3.717 1.00 . A A . 54 LYS HB3 1 1 16 19127 1 1 54 LYS HD2 H -9.522 -2.253 6.266 1.00 . A A . 54 LYS HD2 1 1 16 19128 1 1 54 LYS HD3 H -10.031 -0.941 5.213 1.00 . A A . 54 LYS HD3 1 1 16 19129 1 1 54 LYS HE2 H -11.870 -2.560 7.058 1.00 . A A . 54 LYS HE2 1 1 16 19130 1 1 54 LYS HE3 H -11.171 -0.982 7.441 1.00 . A A . 54 LYS HE3 1 1 16 19131 1 1 54 LYS HG2 H -11.020 -3.829 4.988 1.00 . A A . 54 LYS HG2 1 1 16 19132 1 1 54 LYS HG3 H -9.635 -3.153 4.144 1.00 . A A . 54 LYS HG3 1 1 16 19133 1 1 54 LYS HZ1 H -12.337 -0.084 5.515 1.00 . A A . 54 LYS HZ1 1 1 16 19134 1 1 54 LYS HZ2 H -13.075 -1.533 5.276 1.00 . A A . 54 LYS HZ2 1 1 16 19135 1 1 54 LYS HZ3 H -13.364 -0.688 6.653 1.00 . A A . 54 LYS HZ3 1 1 16 19136 1 1 54 LYS N N -10.014 -2.673 1.531 1.00 . A A . 54 LYS N 1 1 16 19137 1 1 54 LYS NZ N -12.660 -0.928 5.969 1.00 . A A . 54 LYS NZ 1 1 16 19138 1 1 54 LYS O O -13.448 -3.690 1.479 1.00 . A A . 54 LYS O 1 1 16 19139 1 1 55 SER C C -13.386 -2.624 -2.124 1.00 . A A . 55 SER C 1 1 16 19140 1 1 55 SER CA C -13.482 -1.973 -0.744 1.00 . A A . 55 SER CA 1 1 16 19141 1 1 55 SER CB C -13.606 -0.449 -0.869 1.00 . A A . 55 SER CB 1 1 16 19142 1 1 55 SER H H -11.465 -1.845 -0.137 1.00 . A A . 55 SER H 1 1 16 19143 1 1 55 SER HA H -14.402 -2.327 -0.275 1.00 . A A . 55 SER HA 1 1 16 19144 1 1 55 SER HB2 H -13.502 0.011 0.115 1.00 . A A . 55 SER HB2 1 1 16 19145 1 1 55 SER HB3 H -12.823 -0.059 -1.522 1.00 . A A . 55 SER HB3 1 1 16 19146 1 1 55 SER HG H -15.085 -0.638 -2.147 1.00 . A A . 55 SER HG 1 1 16 19147 1 1 55 SER N N -12.336 -2.304 0.099 1.00 . A A . 55 SER N 1 1 16 19148 1 1 55 SER O O -14.396 -3.088 -2.642 1.00 . A A . 55 SER O 1 1 16 19149 1 1 55 SER OG O -14.879 -0.095 -1.378 1.00 . A A . 55 SER OG 1 1 16 19150 1 1 56 ASN C C -12.077 -4.732 -3.969 1.00 . A A . 56 ASN C 1 1 16 19151 1 1 56 ASN CA C -12.025 -3.207 -4.075 1.00 . A A . 56 ASN CA 1 1 16 19152 1 1 56 ASN CB C -10.746 -2.700 -4.775 1.00 . A A . 56 ASN CB 1 1 16 19153 1 1 56 ASN CG C -9.458 -2.929 -3.984 1.00 . A A . 56 ASN CG 1 1 16 19154 1 1 56 ASN H H -11.377 -2.284 -2.267 1.00 . A A . 56 ASN H 1 1 16 19155 1 1 56 ASN HA H -12.862 -2.898 -4.705 1.00 . A A . 56 ASN HA 1 1 16 19156 1 1 56 ASN HB2 H -10.664 -3.202 -5.739 1.00 . A A . 56 ASN HB2 1 1 16 19157 1 1 56 ASN HB3 H -10.847 -1.630 -4.952 1.00 . A A . 56 ASN HB3 1 1 16 19158 1 1 56 ASN HD21 H -8.274 -2.767 -5.639 1.00 . A A . 56 ASN HD21 1 1 16 19159 1 1 56 ASN HD22 H -7.444 -3.011 -4.113 1.00 . A A . 56 ASN HD22 1 1 16 19160 1 1 56 ASN N N -12.204 -2.614 -2.751 1.00 . A A . 56 ASN N 1 1 16 19161 1 1 56 ASN ND2 N -8.301 -2.899 -4.641 1.00 . A A . 56 ASN ND2 1 1 16 19162 1 1 56 ASN O O -12.914 -5.367 -4.603 1.00 . A A . 56 ASN O 1 1 16 19163 1 1 56 ASN OD1 O -9.505 -3.126 -2.776 1.00 . A A . 56 ASN OD1 1 1 16 19164 1 1 57 ASN C C -10.058 -6.894 -1.760 1.00 . A A . 57 ASN C 1 1 16 19165 1 1 57 ASN CA C -11.136 -6.732 -2.833 1.00 . A A . 57 ASN CA 1 1 16 19166 1 1 57 ASN CB C -10.804 -7.574 -4.079 1.00 . A A . 57 ASN CB 1 1 16 19167 1 1 57 ASN CG C -10.754 -9.066 -3.762 1.00 . A A . 57 ASN CG 1 1 16 19168 1 1 57 ASN H H -10.514 -4.733 -2.670 1.00 . A A . 57 ASN H 1 1 16 19169 1 1 57 ASN HA H -12.103 -7.035 -2.428 1.00 . A A . 57 ASN HA 1 1 16 19170 1 1 57 ASN HB2 H -11.563 -7.436 -4.848 1.00 . A A . 57 ASN HB2 1 1 16 19171 1 1 57 ASN HB3 H -9.841 -7.251 -4.477 1.00 . A A . 57 ASN HB3 1 1 16 19172 1 1 57 ASN HD21 H -9.327 -9.419 -5.177 1.00 . A A . 57 ASN HD21 1 1 16 19173 1 1 57 ASN HD22 H -9.861 -10.806 -4.248 1.00 . A A . 57 ASN HD22 1 1 16 19174 1 1 57 ASN N N -11.193 -5.314 -3.156 1.00 . A A . 57 ASN N 1 1 16 19175 1 1 57 ASN ND2 N -9.907 -9.821 -4.455 1.00 . A A . 57 ASN ND2 1 1 16 19176 1 1 57 ASN O O -9.229 -6.000 -1.583 1.00 . A A . 57 ASN O 1 1 16 19177 1 1 57 ASN OD1 O -11.456 -9.543 -2.875 1.00 . A A . 57 ASN OD1 1 1 16 19178 1 1 58 GLY C C -9.177 -9.765 0.403 1.00 . A A . 58 GLY C 1 1 16 19179 1 1 58 GLY CA C -9.013 -8.328 -0.082 1.00 . A A . 58 GLY CA 1 1 16 19180 1 1 58 GLY H H -10.729 -8.754 -1.240 1.00 . A A . 58 GLY H 1 1 16 19181 1 1 58 GLY HA2 H -8.042 -8.207 -0.564 1.00 . A A . 58 GLY HA2 1 1 16 19182 1 1 58 GLY HA3 H -9.092 -7.646 0.765 1.00 . A A . 58 GLY HA3 1 1 16 19183 1 1 58 GLY N N -10.048 -8.021 -1.049 1.00 . A A . 58 GLY N 1 1 16 19184 1 1 58 GLY O O -10.220 -10.372 0.168 1.00 . A A . 58 GLY O 1 1 16 19185 1 1 59 PRO C C -9.139 -11.588 2.902 1.00 . A A . 59 PRO C 1 1 16 19186 1 1 59 PRO CA C -8.222 -11.630 1.682 1.00 . A A . 59 PRO CA 1 1 16 19187 1 1 59 PRO CB C -6.780 -11.955 2.077 1.00 . A A . 59 PRO CB 1 1 16 19188 1 1 59 PRO CD C -6.872 -9.686 1.338 1.00 . A A . 59 PRO CD 1 1 16 19189 1 1 59 PRO CG C -6.195 -10.577 2.379 1.00 . A A . 59 PRO CG 1 1 16 19190 1 1 59 PRO HA H -8.597 -12.386 0.988 1.00 . A A . 59 PRO HA 1 1 16 19191 1 1 59 PRO HB2 H -6.711 -12.628 2.933 1.00 . A A . 59 PRO HB2 1 1 16 19192 1 1 59 PRO HB3 H -6.257 -12.388 1.222 1.00 . A A . 59 PRO HB3 1 1 16 19193 1 1 59 PRO HD2 H -6.989 -8.673 1.728 1.00 . A A . 59 PRO HD2 1 1 16 19194 1 1 59 PRO HD3 H -6.278 -9.671 0.423 1.00 . A A . 59 PRO HD3 1 1 16 19195 1 1 59 PRO HG2 H -6.496 -10.268 3.381 1.00 . A A . 59 PRO HG2 1 1 16 19196 1 1 59 PRO HG3 H -5.110 -10.566 2.289 1.00 . A A . 59 PRO HG3 1 1 16 19197 1 1 59 PRO N N -8.151 -10.319 1.063 1.00 . A A . 59 PRO N 1 1 16 19198 1 1 59 PRO O O -9.564 -10.528 3.357 1.00 . A A . 59 PRO O 1 1 16 19199 1 1 60 THR C C -9.367 -12.780 5.853 1.00 . A A . 60 THR C 1 1 16 19200 1 1 60 THR CA C -10.247 -12.965 4.620 1.00 . A A . 60 THR CA 1 1 16 19201 1 1 60 THR CB C -10.789 -14.395 4.531 1.00 . A A . 60 THR CB 1 1 16 19202 1 1 60 THR CG2 C -11.933 -14.470 3.513 1.00 . A A . 60 THR CG2 1 1 16 19203 1 1 60 THR H H -8.972 -13.609 3.099 1.00 . A A . 60 THR H 1 1 16 19204 1 1 60 THR HA H -11.070 -12.249 4.652 1.00 . A A . 60 THR HA 1 1 16 19205 1 1 60 THR HB H -11.161 -14.718 5.506 1.00 . A A . 60 THR HB 1 1 16 19206 1 1 60 THR HG1 H -10.072 -15.880 3.478 1.00 . A A . 60 THR HG1 1 1 16 19207 1 1 60 THR HG21 H -12.742 -13.808 3.822 1.00 . A A . 60 THR HG21 1 1 16 19208 1 1 60 THR HG22 H -11.587 -14.165 2.525 1.00 . A A . 60 THR HG22 1 1 16 19209 1 1 60 THR HG23 H -12.319 -15.488 3.460 1.00 . A A . 60 THR HG23 1 1 16 19210 1 1 60 THR N N -9.420 -12.770 3.445 1.00 . A A . 60 THR N 1 1 16 19211 1 1 60 THR O O -9.728 -12.085 6.800 1.00 . A A . 60 THR O 1 1 16 19212 1 1 60 THR OG1 O -9.725 -15.234 4.099 1.00 . A A . 60 THR OG1 1 1 16 19213 1 1 61 LYS C C -6.034 -12.404 6.178 1.00 . A A . 61 LYS C 1 1 16 19214 1 1 61 LYS CA C -7.138 -13.279 6.790 1.00 . A A . 61 LYS CA 1 1 16 19215 1 1 61 LYS CB C -6.667 -14.670 7.253 1.00 . A A . 61 LYS CB 1 1 16 19216 1 1 61 LYS CD C -8.339 -14.956 9.180 1.00 . A A . 61 LYS CD 1 1 16 19217 1 1 61 LYS CE C -9.353 -15.931 9.797 1.00 . A A . 61 LYS CE 1 1 16 19218 1 1 61 LYS CG C -7.790 -15.528 7.865 1.00 . A A . 61 LYS CG 1 1 16 19219 1 1 61 LYS H H -8.059 -14.047 5.028 1.00 . A A . 61 LYS H 1 1 16 19220 1 1 61 LYS HA H -7.498 -12.739 7.664 1.00 . A A . 61 LYS HA 1 1 16 19221 1 1 61 LYS HB2 H -6.283 -15.229 6.399 1.00 . A A . 61 LYS HB2 1 1 16 19222 1 1 61 LYS HB3 H -5.864 -14.554 7.983 1.00 . A A . 61 LYS HB3 1 1 16 19223 1 1 61 LYS HD2 H -7.503 -14.797 9.865 1.00 . A A . 61 LYS HD2 1 1 16 19224 1 1 61 LYS HD3 H -8.826 -13.998 8.982 1.00 . A A . 61 LYS HD3 1 1 16 19225 1 1 61 LYS HE2 H -10.196 -16.051 9.112 1.00 . A A . 61 LYS HE2 1 1 16 19226 1 1 61 LYS HE3 H -8.882 -16.906 9.935 1.00 . A A . 61 LYS HE3 1 1 16 19227 1 1 61 LYS HG2 H -8.600 -15.644 7.143 1.00 . A A . 61 LYS HG2 1 1 16 19228 1 1 61 LYS HG3 H -7.371 -16.518 8.057 1.00 . A A . 61 LYS HG3 1 1 16 19229 1 1 61 LYS HZ1 H -10.316 -14.564 11.003 1.00 . A A . 61 LYS HZ1 1 1 16 19230 1 1 61 LYS HZ2 H -10.533 -16.126 11.466 1.00 . A A . 61 LYS HZ2 1 1 16 19231 1 1 61 LYS HZ3 H -9.103 -15.378 11.766 1.00 . A A . 61 LYS HZ3 1 1 16 19232 1 1 61 LYS N N -8.205 -13.436 5.821 1.00 . A A . 61 LYS N 1 1 16 19233 1 1 61 LYS NZ N -9.862 -15.461 11.104 1.00 . A A . 61 LYS NZ 1 1 16 19234 1 1 61 LYS O O -6.155 -11.181 6.189 1.00 . A A . 61 LYS O 1 1 16 19235 1 1 62 CYS C C -3.262 -12.782 3.891 1.00 . A A . 62 CYS C 1 1 16 19236 1 1 62 CYS CA C -3.710 -12.362 5.295 1.00 . A A . 62 CYS CA 1 1 16 19237 1 1 62 CYS CB C -2.640 -12.651 6.334 1.00 . A A . 62 CYS CB 1 1 16 19238 1 1 62 CYS H H -5.008 -14.012 5.545 1.00 . A A . 62 CYS H 1 1 16 19239 1 1 62 CYS HA H -3.887 -11.296 5.232 1.00 . A A . 62 CYS HA 1 1 16 19240 1 1 62 CYS HB2 H -2.256 -13.659 6.174 1.00 . A A . 62 CYS HB2 1 1 16 19241 1 1 62 CYS HB3 H -1.824 -11.938 6.214 1.00 . A A . 62 CYS HB3 1 1 16 19242 1 1 62 CYS N N -4.965 -13.018 5.657 1.00 . A A . 62 CYS N 1 1 16 19243 1 1 62 CYS O O -4.099 -13.037 3.031 1.00 . A A . 62 CYS O 1 1 16 19244 1 1 62 CYS SG S -3.218 -12.589 8.055 1.00 . A A . 62 CYS SG 1 1 16 19245 1 1 63 GLY C C -1.455 -12.467 1.200 1.00 . A A . 63 GLY C 1 1 16 19246 1 1 63 GLY CA C -1.408 -13.416 2.398 1.00 . A A . 63 GLY CA 1 1 16 19247 1 1 63 GLY H H -1.291 -12.526 4.319 1.00 . A A . 63 GLY H 1 1 16 19248 1 1 63 GLY HA2 H -0.371 -13.695 2.586 1.00 . A A . 63 GLY HA2 1 1 16 19249 1 1 63 GLY HA3 H -1.965 -14.320 2.148 1.00 . A A . 63 GLY HA3 1 1 16 19250 1 1 63 GLY N N -1.953 -12.820 3.616 1.00 . A A . 63 GLY N 1 1 16 19251 1 1 63 GLY O O -0.578 -12.500 0.344 1.00 . A A . 63 GLY O 1 1 16 19252 1 1 64 GLY C C -1.453 -9.832 -0.312 1.00 . A A . 64 GLY C 1 1 16 19253 1 1 64 GLY CA C -2.693 -10.653 0.062 1.00 . A A . 64 GLY CA 1 1 16 19254 1 1 64 GLY H H -3.220 -11.753 1.812 1.00 . A A . 64 GLY H 1 1 16 19255 1 1 64 GLY HA2 H -3.057 -11.182 -0.819 1.00 . A A . 64 GLY HA2 1 1 16 19256 1 1 64 GLY HA3 H -3.463 -9.957 0.395 1.00 . A A . 64 GLY HA3 1 1 16 19257 1 1 64 GLY N N -2.478 -11.611 1.139 1.00 . A A . 64 GLY N 1 1 16 19258 1 1 64 GLY O O -1.278 -9.483 -1.476 1.00 . A A . 64 GLY O 1 1 16 19259 1 1 65 CYS C C 1.721 -8.966 1.113 1.00 . A A . 65 CYS C 1 1 16 19260 1 1 65 CYS CA C 0.398 -8.443 0.556 1.00 . A A . 65 CYS CA 1 1 16 19261 1 1 65 CYS CB C -0.051 -7.198 1.280 1.00 . A A . 65 CYS CB 1 1 16 19262 1 1 65 CYS H H -0.835 -9.838 1.598 1.00 . A A . 65 CYS H 1 1 16 19263 1 1 65 CYS HA H 0.554 -8.188 -0.494 1.00 . A A . 65 CYS HA 1 1 16 19264 1 1 65 CYS HB2 H 0.018 -7.383 2.350 1.00 . A A . 65 CYS HB2 1 1 16 19265 1 1 65 CYS HB3 H 0.595 -6.358 1.028 1.00 . A A . 65 CYS HB3 1 1 16 19266 1 1 65 CYS N N -0.639 -9.467 0.684 1.00 . A A . 65 CYS N 1 1 16 19267 1 1 65 CYS O O 2.738 -8.964 0.425 1.00 . A A . 65 CYS O 1 1 16 19268 1 1 65 CYS SG S -1.775 -6.803 0.841 1.00 . A A . 65 CYS SG 1 1 16 19269 1 1 66 HIS C C 2.898 -11.502 2.165 1.00 . A A . 66 HIS C 1 1 16 19270 1 1 66 HIS CA C 2.809 -10.191 2.929 1.00 . A A . 66 HIS CA 1 1 16 19271 1 1 66 HIS CB C 2.513 -10.538 4.393 1.00 . A A . 66 HIS CB 1 1 16 19272 1 1 66 HIS CD2 C 1.117 -8.855 5.705 1.00 . A A . 66 HIS CD2 1 1 16 19273 1 1 66 HIS CE1 C 2.704 -7.605 6.518 1.00 . A A . 66 HIS CE1 1 1 16 19274 1 1 66 HIS CG C 2.321 -9.355 5.287 1.00 . A A . 66 HIS CG 1 1 16 19275 1 1 66 HIS H H 0.843 -9.391 2.883 1.00 . A A . 66 HIS H 1 1 16 19276 1 1 66 HIS HA H 3.754 -9.643 2.866 1.00 . A A . 66 HIS HA 1 1 16 19277 1 1 66 HIS HB2 H 1.613 -11.152 4.427 1.00 . A A . 66 HIS HB2 1 1 16 19278 1 1 66 HIS HB3 H 3.326 -11.156 4.775 1.00 . A A . 66 HIS HB3 1 1 16 19279 1 1 66 HIS HD1 H 4.324 -8.619 5.666 1.00 . A A . 66 HIS HD1 1 1 16 19280 1 1 66 HIS HD2 H 0.135 -9.222 5.487 1.00 . A A . 66 HIS HD2 1 1 16 19281 1 1 66 HIS HE1 H 3.223 -6.814 7.027 1.00 . A A . 66 HIS HE1 1 1 16 19282 1 1 66 HIS N N 1.705 -9.430 2.365 1.00 . A A . 66 HIS N 1 1 16 19283 1 1 66 HIS ND1 N 3.316 -8.579 5.828 1.00 . A A . 66 HIS ND1 1 1 16 19284 1 1 66 HIS NE2 N 1.368 -7.728 6.477 1.00 . A A . 66 HIS NE2 1 1 16 19285 1 1 66 HIS O O 1.900 -12.214 2.088 1.00 . A A . 66 HIS O 1 1 16 19286 1 1 67 ILE C C 4.525 -14.135 2.440 1.00 . A A . 67 ILE C 1 1 16 19287 1 1 67 ILE CA C 4.293 -13.236 1.209 1.00 . A A . 67 ILE CA 1 1 16 19288 1 1 67 ILE CB C 5.419 -13.238 0.150 1.00 . A A . 67 ILE CB 1 1 16 19289 1 1 67 ILE CD1 C 5.636 -10.823 -0.780 1.00 . A A . 67 ILE CD1 1 1 16 19290 1 1 67 ILE CG1 C 5.136 -12.252 -1.007 1.00 . A A . 67 ILE CG1 1 1 16 19291 1 1 67 ILE CG2 C 5.535 -14.622 -0.503 1.00 . A A . 67 ILE CG2 1 1 16 19292 1 1 67 ILE H H 4.892 -11.280 1.794 1.00 . A A . 67 ILE H 1 1 16 19293 1 1 67 ILE HA H 3.391 -13.590 0.707 1.00 . A A . 67 ILE HA 1 1 16 19294 1 1 67 ILE HB H 6.374 -12.991 0.618 1.00 . A A . 67 ILE HB 1 1 16 19295 1 1 67 ILE HD11 H 6.685 -10.839 -0.484 1.00 . A A . 67 ILE HD11 1 1 16 19296 1 1 67 ILE HD12 H 5.544 -10.263 -1.711 1.00 . A A . 67 ILE HD12 1 1 16 19297 1 1 67 ILE HD13 H 5.047 -10.310 -0.024 1.00 . A A . 67 ILE HD13 1 1 16 19298 1 1 67 ILE HG12 H 5.651 -12.599 -1.904 1.00 . A A . 67 ILE HG12 1 1 16 19299 1 1 67 ILE HG13 H 4.067 -12.232 -1.227 1.00 . A A . 67 ILE HG13 1 1 16 19300 1 1 67 ILE HG21 H 6.360 -14.617 -1.215 1.00 . A A . 67 ILE HG21 1 1 16 19301 1 1 67 ILE HG22 H 5.727 -15.400 0.232 1.00 . A A . 67 ILE HG22 1 1 16 19302 1 1 67 ILE HG23 H 4.609 -14.850 -1.032 1.00 . A A . 67 ILE HG23 1 1 16 19303 1 1 67 ILE N N 4.086 -11.886 1.704 1.00 . A A . 67 ILE N 1 1 16 19304 1 1 67 ILE O O 5.577 -14.757 2.579 1.00 . A A . 67 ILE O 1 1 16 19305 1 1 68 LYS C C 2.289 -14.377 5.404 1.00 . A A . 68 LYS C 1 1 16 19306 1 1 68 LYS CA C 3.556 -14.821 4.659 1.00 . A A . 68 LYS CA 1 1 16 19307 1 1 68 LYS CB C 4.788 -14.421 5.496 1.00 . A A . 68 LYS CB 1 1 16 19308 1 1 68 LYS CD C 6.801 -15.904 5.015 1.00 . A A . 68 LYS CD 1 1 16 19309 1 1 68 LYS CE C 7.940 -16.636 5.736 1.00 . A A . 68 LYS CE 1 1 16 19310 1 1 68 LYS CG C 5.646 -15.601 5.979 1.00 . A A . 68 LYS CG 1 1 16 19311 1 1 68 LYS H H 2.691 -13.632 3.193 1.00 . A A . 68 LYS H 1 1 16 19312 1 1 68 LYS HA H 3.519 -15.900 4.505 1.00 . A A . 68 LYS HA 1 1 16 19313 1 1 68 LYS HB2 H 5.389 -13.683 4.972 1.00 . A A . 68 LYS HB2 1 1 16 19314 1 1 68 LYS HB3 H 4.445 -13.925 6.400 1.00 . A A . 68 LYS HB3 1 1 16 19315 1 1 68 LYS HD2 H 6.421 -16.493 4.179 1.00 . A A . 68 LYS HD2 1 1 16 19316 1 1 68 LYS HD3 H 7.187 -14.961 4.627 1.00 . A A . 68 LYS HD3 1 1 16 19317 1 1 68 LYS HE2 H 8.210 -16.084 6.639 1.00 . A A . 68 LYS HE2 1 1 16 19318 1 1 68 LYS HE3 H 7.604 -17.634 6.024 1.00 . A A . 68 LYS HE3 1 1 16 19319 1 1 68 LYS HG2 H 6.062 -15.315 6.944 1.00 . A A . 68 LYS HG2 1 1 16 19320 1 1 68 LYS HG3 H 5.028 -16.485 6.141 1.00 . A A . 68 LYS HG3 1 1 16 19321 1 1 68 LYS HZ1 H 8.928 -17.232 4.032 1.00 . A A . 68 LYS HZ1 1 1 16 19322 1 1 68 LYS HZ2 H 9.472 -15.808 4.650 1.00 . A A . 68 LYS HZ2 1 1 16 19323 1 1 68 LYS HZ3 H 9.876 -17.224 5.380 1.00 . A A . 68 LYS HZ3 1 1 16 19324 1 1 68 LYS N N 3.548 -14.158 3.361 1.00 . A A . 68 LYS N 1 1 16 19325 1 1 68 LYS NZ N 9.143 -16.734 4.885 1.00 . A A . 68 LYS NZ 1 1 16 19326 1 1 68 LYS O O 1.579 -13.493 4.883 1.00 . A A . 68 LYS O 1 1 16 19327 1 1 68 LYS OXT O 2.094 -14.822 6.558 1.00 . A A . 68 LYS OXT 1 1 16 19328 2 2 1 HEC C1A C 7.682 8.029 -3.504 1.00 . B A . 69 HEC C1A 1 1 16 19329 2 2 1 HEC C1B C 5.277 9.456 -6.683 1.00 . B A . 69 HEC C1B 1 1 16 19330 2 2 1 HEC C1C C 2.245 6.624 -5.630 1.00 . B A . 69 HEC C1C 1 1 16 19331 2 2 1 HEC C1D C 4.369 5.804 -2.052 1.00 . B A . 69 HEC C1D 1 1 16 19332 2 2 1 HEC C2A C 8.824 8.882 -3.769 1.00 . B A . 69 HEC C2A 1 1 16 19333 2 2 1 HEC C2B C 4.671 9.910 -7.909 1.00 . B A . 69 HEC C2B 1 1 16 19334 2 2 1 HEC C2C C 1.056 5.873 -5.295 1.00 . B A . 69 HEC C2C 1 1 16 19335 2 2 1 HEC C2D C 5.018 5.289 -0.872 1.00 . B A . 69 HEC C2D 1 1 16 19336 2 2 1 HEC C3A C 8.426 9.779 -4.728 1.00 . B A . 69 HEC C3A 1 1 16 19337 2 2 1 HEC C3B C 3.503 9.202 -8.068 1.00 . B A . 69 HEC C3B 1 1 16 19338 2 2 1 HEC C3C C 1.221 5.383 -4.019 1.00 . B A . 69 HEC C3C 1 1 16 19339 2 2 1 HEC C3D C 6.343 5.665 -0.960 1.00 . B A . 69 HEC C3D 1 1 16 19340 2 2 1 HEC C4A C 7.101 9.393 -5.141 1.00 . B A . 69 HEC C4A 1 1 16 19341 2 2 1 HEC C4B C 3.463 8.204 -7.015 1.00 . B A . 69 HEC C4B 1 1 16 19342 2 2 1 HEC C4C C 2.526 5.830 -3.581 1.00 . B A . 69 HEC C4C 1 1 16 19343 2 2 1 HEC C4D C 6.457 6.492 -2.136 1.00 . B A . 69 HEC C4D 1 1 16 19344 2 2 1 HEC CAA C 10.149 8.910 -3.035 1.00 . B A . 69 HEC CAA 1 1 16 19345 2 2 1 HEC CAB C 2.302 9.693 -8.846 1.00 . B A . 69 HEC CAB 1 1 16 19346 2 2 1 HEC CAC C 0.198 4.615 -3.184 1.00 . B A . 69 HEC CAC 1 1 16 19347 2 2 1 HEC CAD C 7.545 5.289 -0.115 1.00 . B A . 69 HEC CAD 1 1 16 19348 2 2 1 HEC CBA C 11.373 8.486 -3.858 1.00 . B A . 69 HEC CBA 1 1 16 19349 2 2 1 HEC CBB C 2.547 10.090 -10.307 1.00 . B A . 69 HEC CBB 1 1 16 19350 2 2 1 HEC CBC C -0.183 3.237 -3.732 1.00 . B A . 69 HEC CBC 1 1 16 19351 2 2 1 HEC CBD C 7.381 4.364 1.082 1.00 . B A . 69 HEC CBD 1 1 16 19352 2 2 1 HEC CGA C 12.666 8.569 -3.031 1.00 . B A . 69 HEC CGA 1 1 16 19353 2 2 1 HEC CGD C 8.761 4.036 1.652 1.00 . B A . 69 HEC CGD 1 1 16 19354 2 2 1 HEC CHA C 7.629 7.109 -2.490 1.00 . B A . 69 HEC CHA 1 1 16 19355 2 2 1 HEC CHB C 6.444 9.984 -6.179 1.00 . B A . 69 HEC CHB 1 1 16 19356 2 2 1 HEC CHC C 2.397 7.339 -6.801 1.00 . B A . 69 HEC CHC 1 1 16 19357 2 2 1 HEC CHD C 3.075 5.493 -2.367 1.00 . B A . 69 HEC CHD 1 1 16 19358 2 2 1 HEC CMA C 9.252 10.900 -5.316 1.00 . B A . 69 HEC CMA 1 1 16 19359 2 2 1 HEC CMB C 5.203 10.967 -8.852 1.00 . B A . 69 HEC CMB 1 1 16 19360 2 2 1 HEC CMC C -0.171 5.737 -6.166 1.00 . B A . 69 HEC CMC 1 1 16 19361 2 2 1 HEC CMD C 4.314 4.427 0.153 1.00 . B A . 69 HEC CMD 1 1 16 19362 2 2 1 HEC FE FE 4.887 7.483 -4.511 1.00 . B A . 69 HEC FE 1 1 16 19363 2 2 1 HEC HAA1 H 10.324 9.918 -2.660 1.00 . B A . 69 HEC HAA1 1 1 16 19364 2 2 1 HEC HAA2 H 10.134 8.233 -2.190 1.00 . B A . 69 HEC HAA2 1 1 16 19365 2 2 1 HEC HAB H 1.553 8.911 -8.880 1.00 . B A . 69 HEC HAB 1 1 16 19366 2 2 1 HEC HAC H 0.582 4.434 -2.187 1.00 . B A . 69 HEC HAC 1 1 16 19367 2 2 1 HEC HAD1 H 8.257 4.796 -0.780 1.00 . B A . 69 HEC HAD1 1 1 16 19368 2 2 1 HEC HAD2 H 8.017 6.191 0.261 1.00 . B A . 69 HEC HAD2 1 1 16 19369 2 2 1 HEC HBA1 H 11.226 7.458 -4.191 1.00 . B A . 69 HEC HBA1 1 1 16 19370 2 2 1 HEC HBA2 H 11.468 9.126 -4.735 1.00 . B A . 69 HEC HBA2 1 1 16 19371 2 2 1 HEC HBB1 H 1.594 10.142 -10.834 1.00 . B A . 69 HEC HBB1 1 1 16 19372 2 2 1 HEC HBB2 H 3.019 11.067 -10.377 1.00 . B A . 69 HEC HBB2 1 1 16 19373 2 2 1 HEC HBB3 H 3.166 9.338 -10.799 1.00 . B A . 69 HEC HBB3 1 1 16 19374 2 2 1 HEC HBC1 H -0.798 3.340 -4.618 1.00 . B A . 69 HEC HBC1 1 1 16 19375 2 2 1 HEC HBC2 H 0.714 2.665 -3.979 1.00 . B A . 69 HEC HBC2 1 1 16 19376 2 2 1 HEC HBC3 H -0.756 2.686 -2.985 1.00 . B A . 69 HEC HBC3 1 1 16 19377 2 2 1 HEC HBD1 H 6.791 4.855 1.858 1.00 . B A . 69 HEC HBD1 1 1 16 19378 2 2 1 HEC HBD2 H 6.890 3.454 0.743 1.00 . B A . 69 HEC HBD2 1 1 16 19379 2 2 1 HEC HHA H 8.486 6.960 -1.866 1.00 . B A . 69 HEC HHA 1 1 16 19380 2 2 1 HEC HHB H 6.901 10.830 -6.648 1.00 . B A . 69 HEC HHB 1 1 16 19381 2 2 1 HEC HHC H 1.601 7.290 -7.515 1.00 . B A . 69 HEC HHC 1 1 16 19382 2 2 1 HEC HHD H 2.520 4.869 -1.691 1.00 . B A . 69 HEC HHD 1 1 16 19383 2 2 1 HEC HMA1 H 10.166 11.049 -4.743 1.00 . B A . 69 HEC HMA1 1 1 16 19384 2 2 1 HEC HMA2 H 9.516 10.648 -6.343 1.00 . B A . 69 HEC HMA2 1 1 16 19385 2 2 1 HEC HMA3 H 8.677 11.825 -5.300 1.00 . B A . 69 HEC HMA3 1 1 16 19386 2 2 1 HEC HMB1 H 5.186 10.575 -9.867 1.00 . B A . 69 HEC HMB1 1 1 16 19387 2 2 1 HEC HMB2 H 4.571 11.852 -8.785 1.00 . B A . 69 HEC HMB2 1 1 16 19388 2 2 1 HEC HMB3 H 6.229 11.245 -8.631 1.00 . B A . 69 HEC HMB3 1 1 16 19389 2 2 1 HEC HMC1 H 0.061 5.042 -6.967 1.00 . B A . 69 HEC HMC1 1 1 16 19390 2 2 1 HEC HMC2 H -1.017 5.356 -5.602 1.00 . B A . 69 HEC HMC2 1 1 16 19391 2 2 1 HEC HMC3 H -0.449 6.708 -6.573 1.00 . B A . 69 HEC HMC3 1 1 16 19392 2 2 1 HEC HMD1 H 4.889 4.257 1.052 1.00 . B A . 69 HEC HMD1 1 1 16 19393 2 2 1 HEC HMD2 H 3.389 4.915 0.454 1.00 . B A . 69 HEC HMD2 1 1 16 19394 2 2 1 HEC HMD3 H 4.061 3.479 -0.317 1.00 . B A . 69 HEC HMD3 1 1 16 19395 2 2 1 HEC NA N 6.688 8.373 -4.365 1.00 . B A . 69 HEC NA 1 1 16 19396 2 2 1 HEC NB N 4.540 8.420 -6.203 1.00 . B A . 69 HEC NB 1 1 16 19397 2 2 1 HEC NC N 3.092 6.568 -4.580 1.00 . B A . 69 HEC NC 1 1 16 19398 2 2 1 HEC ND N 5.260 6.545 -2.753 1.00 . B A . 69 HEC ND 1 1 16 19399 2 2 1 HEC O1A O 12.575 8.970 -1.844 1.00 . B A . 69 HEC O1A 1 1 16 19400 2 2 1 HEC O1D O 9.434 5.002 2.077 1.00 . B A . 69 HEC O1D 1 1 16 19401 2 2 1 HEC O2A O 13.732 8.234 -3.585 1.00 . B A . 69 HEC O2A 1 1 16 19402 2 2 1 HEC O2D O 9.129 2.843 1.598 1.00 . B A . 69 HEC O2D 1 1 16 19403 3 2 1 HEC C1A C -2.632 -4.383 -5.418 1.00 . C A . 70 HEC C1A 1 1 16 19404 3 2 1 HEC C1B C -0.917 -2.640 -1.923 1.00 . C A . 70 HEC C1B 1 1 16 19405 3 2 1 HEC C1C C -3.435 0.796 -2.376 1.00 . C A . 70 HEC C1C 1 1 16 19406 3 2 1 HEC C1D C -5.397 -1.121 -5.625 1.00 . C A . 70 HEC C1D 1 1 16 19407 3 2 1 HEC C2A C -1.850 -5.600 -5.389 1.00 . C A . 70 HEC C2A 1 1 16 19408 3 2 1 HEC C2B C -0.186 -2.149 -0.784 1.00 . C A . 70 HEC C2B 1 1 16 19409 3 2 1 HEC C2C C -4.245 1.991 -2.373 1.00 . C A . 70 HEC C2C 1 1 16 19410 3 2 1 HEC C2D C -6.103 -1.569 -6.798 1.00 . C A . 70 HEC C2D 1 1 16 19411 3 2 1 HEC C3A C -1.085 -5.566 -4.247 1.00 . C A . 70 HEC C3A 1 1 16 19412 3 2 1 HEC C3B C -0.635 -0.872 -0.530 1.00 . C A . 70 HEC C3B 1 1 16 19413 3 2 1 HEC C3C C -5.279 1.779 -3.256 1.00 . C A . 70 HEC C3C 1 1 16 19414 3 2 1 HEC C3D C -5.470 -2.701 -7.249 1.00 . C A . 70 HEC C3D 1 1 16 19415 3 2 1 HEC C4A C -1.342 -4.303 -3.598 1.00 . C A . 70 HEC C4A 1 1 16 19416 3 2 1 HEC C4B C -1.671 -0.588 -1.501 1.00 . C A . 70 HEC C4B 1 1 16 19417 3 2 1 HEC C4C C -4.995 0.525 -3.922 1.00 . C A . 70 HEC C4C 1 1 16 19418 3 2 1 HEC C4D C -4.408 -2.997 -6.307 1.00 . C A . 70 HEC C4D 1 1 16 19419 3 2 1 HEC CAA C -1.954 -6.757 -6.359 1.00 . C A . 70 HEC CAA 1 1 16 19420 3 2 1 HEC CAB C -0.180 0.037 0.600 1.00 . C A . 70 HEC CAB 1 1 16 19421 3 2 1 HEC CAC C -6.563 2.597 -3.368 1.00 . C A . 70 HEC CAC 1 1 16 19422 3 2 1 HEC CAD C -5.819 -3.428 -8.531 1.00 . C A . 70 HEC CAD 1 1 16 19423 3 2 1 HEC CBA C -3.059 -7.747 -5.969 1.00 . C A . 70 HEC CBA 1 1 16 19424 3 2 1 HEC CBB C 1.253 0.556 0.416 1.00 . C A . 70 HEC CBB 1 1 16 19425 3 2 1 HEC CBC C -6.459 3.891 -4.170 1.00 . C A . 70 HEC CBC 1 1 16 19426 3 2 1 HEC CBD C -5.391 -2.642 -9.780 1.00 . C A . 70 HEC CBD 1 1 16 19427 3 2 1 HEC CGA C -3.183 -8.904 -6.968 1.00 . C A . 70 HEC CGA 1 1 16 19428 3 2 1 HEC CGD C -6.027 -3.161 -11.074 1.00 . C A . 70 HEC CGD 1 1 16 19429 3 2 1 HEC CHA C -3.584 -4.103 -6.379 1.00 . C A . 70 HEC CHA 1 1 16 19430 3 2 1 HEC CHB C -0.683 -3.885 -2.463 1.00 . C A . 70 HEC CHB 1 1 16 19431 3 2 1 HEC CHC C -2.390 0.590 -1.515 1.00 . C A . 70 HEC CHC 1 1 16 19432 3 2 1 HEC CHD C -5.736 0.034 -4.965 1.00 . C A . 70 HEC CHD 1 1 16 19433 3 2 1 HEC CMA C -0.145 -6.641 -3.752 1.00 . C A . 70 HEC CMA 1 1 16 19434 3 2 1 HEC CMB C 0.834 -2.945 0.003 1.00 . C A . 70 HEC CMB 1 1 16 19435 3 2 1 HEC CMC C -4.020 3.220 -1.522 1.00 . C A . 70 HEC CMC 1 1 16 19436 3 2 1 HEC CMD C -7.270 -0.860 -7.450 1.00 . C A . 70 HEC CMD 1 1 16 19437 3 2 1 HEC FE FE -3.081 -1.849 -3.847 1.00 . C A . 70 HEC FE 1 1 16 19438 3 2 1 HEC HAA1 H -2.149 -6.393 -7.365 1.00 . C A . 70 HEC HAA1 1 1 16 19439 3 2 1 HEC HAA2 H -1.008 -7.297 -6.403 1.00 . C A . 70 HEC HAA2 1 1 16 19440 3 2 1 HEC HAB H -0.791 0.929 0.664 1.00 . C A . 70 HEC HAB 1 1 16 19441 3 2 1 HEC HAC H -7.326 1.998 -3.861 1.00 . C A . 70 HEC HAC 1 1 16 19442 3 2 1 HEC HAD1 H -5.369 -4.416 -8.575 1.00 . C A . 70 HEC HAD1 1 1 16 19443 3 2 1 HEC HAD2 H -6.899 -3.574 -8.562 1.00 . C A . 70 HEC HAD2 1 1 16 19444 3 2 1 HEC HBA1 H -2.837 -8.154 -4.982 1.00 . C A . 70 HEC HBA1 1 1 16 19445 3 2 1 HEC HBA2 H -4.005 -7.206 -5.914 1.00 . C A . 70 HEC HBA2 1 1 16 19446 3 2 1 HEC HBB1 H 1.583 1.096 1.301 1.00 . C A . 70 HEC HBB1 1 1 16 19447 3 2 1 HEC HBB2 H 1.952 -0.251 0.214 1.00 . C A . 70 HEC HBB2 1 1 16 19448 3 2 1 HEC HBB3 H 1.283 1.237 -0.435 1.00 . C A . 70 HEC HBB3 1 1 16 19449 3 2 1 HEC HBC1 H -5.613 4.491 -3.841 1.00 . C A . 70 HEC HBC1 1 1 16 19450 3 2 1 HEC HBC2 H -6.351 3.634 -5.220 1.00 . C A . 70 HEC HBC2 1 1 16 19451 3 2 1 HEC HBC3 H -7.374 4.475 -4.053 1.00 . C A . 70 HEC HBC3 1 1 16 19452 3 2 1 HEC HBD1 H -5.680 -1.596 -9.667 1.00 . C A . 70 HEC HBD1 1 1 16 19453 3 2 1 HEC HBD2 H -4.303 -2.684 -9.858 1.00 . C A . 70 HEC HBD2 1 1 16 19454 3 2 1 HEC HHA H -3.726 -4.810 -7.175 1.00 . C A . 70 HEC HHA 1 1 16 19455 3 2 1 HEC HHB H 0.081 -4.510 -2.013 1.00 . C A . 70 HEC HHB 1 1 16 19456 3 2 1 HEC HHC H -2.194 1.340 -0.769 1.00 . C A . 70 HEC HHC 1 1 16 19457 3 2 1 HEC HHD H -6.554 0.619 -5.338 1.00 . C A . 70 HEC HHD 1 1 16 19458 3 2 1 HEC HMA1 H -0.331 -6.827 -2.695 1.00 . C A . 70 HEC HMA1 1 1 16 19459 3 2 1 HEC HMA2 H -0.308 -7.575 -4.289 1.00 . C A . 70 HEC HMA2 1 1 16 19460 3 2 1 HEC HMA3 H 0.887 -6.319 -3.893 1.00 . C A . 70 HEC HMA3 1 1 16 19461 3 2 1 HEC HMB1 H 1.375 -2.313 0.698 1.00 . C A . 70 HEC HMB1 1 1 16 19462 3 2 1 HEC HMB2 H 0.310 -3.722 0.559 1.00 . C A . 70 HEC HMB2 1 1 16 19463 3 2 1 HEC HMB3 H 1.552 -3.414 -0.668 1.00 . C A . 70 HEC HMB3 1 1 16 19464 3 2 1 HEC HMC1 H -2.957 3.408 -1.382 1.00 . C A . 70 HEC HMC1 1 1 16 19465 3 2 1 HEC HMC2 H -4.451 4.099 -1.995 1.00 . C A . 70 HEC HMC2 1 1 16 19466 3 2 1 HEC HMC3 H -4.500 3.081 -0.556 1.00 . C A . 70 HEC HMC3 1 1 16 19467 3 2 1 HEC HMD1 H -7.709 -1.471 -8.238 1.00 . C A . 70 HEC HMD1 1 1 16 19468 3 2 1 HEC HMD2 H -8.034 -0.634 -6.707 1.00 . C A . 70 HEC HMD2 1 1 16 19469 3 2 1 HEC HMD3 H -6.910 0.069 -7.890 1.00 . C A . 70 HEC HMD3 1 1 16 19470 3 2 1 HEC NA N -2.296 -3.642 -4.319 1.00 . C A . 70 HEC NA 1 1 16 19471 3 2 1 HEC NB N -1.802 -1.677 -2.317 1.00 . C A . 70 HEC NB 1 1 16 19472 3 2 1 HEC NC N -3.901 -0.039 -3.337 1.00 . C A . 70 HEC NC 1 1 16 19473 3 2 1 HEC ND N -4.404 -2.010 -5.362 1.00 . C A . 70 HEC ND 1 1 16 19474 3 2 1 HEC O1A O -2.128 -9.479 -7.312 1.00 . C A . 70 HEC O1A 1 1 16 19475 3 2 1 HEC O1D O -5.339 -3.102 -12.120 1.00 . C A . 70 HEC O1D 1 1 16 19476 3 2 1 HEC O2A O -4.333 -9.187 -7.375 1.00 . C A . 70 HEC O2A 1 1 16 19477 3 2 1 HEC O2D O -7.206 -3.570 -11.022 1.00 . C A . 70 HEC O2D 1 1 16 19478 4 2 1 HEC C1A C 2.265 -5.616 9.154 1.00 . D A . 71 HEC C1A 1 1 16 19479 4 2 1 HEC C1B C -0.631 -8.798 9.261 1.00 . D A . 71 HEC C1B 1 1 16 19480 4 2 1 HEC C1C C -2.052 -7.687 5.390 1.00 . D A . 71 HEC C1C 1 1 16 19481 4 2 1 HEC C1D C 0.832 -4.565 5.236 1.00 . D A . 71 HEC C1D 1 1 16 19482 4 2 1 HEC C2A C 2.952 -6.012 10.369 1.00 . D A . 71 HEC C2A 1 1 16 19483 4 2 1 HEC C2B C -1.507 -9.929 9.447 1.00 . D A . 71 HEC C2B 1 1 16 19484 4 2 1 HEC C2C C -2.585 -7.489 4.064 1.00 . D A . 71 HEC C2C 1 1 16 19485 4 2 1 HEC C2D C 1.794 -3.521 4.994 1.00 . D A . 71 HEC C2D 1 1 16 19486 4 2 1 HEC C3A C 2.205 -7.016 10.935 1.00 . D A . 71 HEC C3A 1 1 16 19487 4 2 1 HEC C3B C -2.352 -9.971 8.361 1.00 . D A . 71 HEC C3B 1 1 16 19488 4 2 1 HEC C3C C -2.003 -6.350 3.556 1.00 . D A . 71 HEC C3C 1 1 16 19489 4 2 1 HEC C3D C 2.561 -3.408 6.118 1.00 . D A . 71 HEC C3D 1 1 16 19490 4 2 1 HEC C4A C 1.190 -7.386 9.984 1.00 . D A . 71 HEC C4A 1 1 16 19491 4 2 1 HEC C4B C -1.911 -8.930 7.454 1.00 . D A . 71 HEC C4B 1 1 16 19492 4 2 1 HEC C4C C -1.011 -5.939 4.531 1.00 . D A . 71 HEC C4C 1 1 16 19493 4 2 1 HEC C4D C 2.103 -4.395 7.067 1.00 . D A . 71 HEC C4D 1 1 16 19494 4 2 1 HEC CAA C 4.359 -5.644 10.803 1.00 . D A . 71 HEC CAA 1 1 16 19495 4 2 1 HEC CAB C -3.603 -10.829 8.230 1.00 . D A . 71 HEC CAB 1 1 16 19496 4 2 1 HEC CAC C -2.265 -5.708 2.195 1.00 . D A . 71 HEC CAC 1 1 16 19497 4 2 1 HEC CAD C 3.561 -2.310 6.342 1.00 . D A . 71 HEC CAD 1 1 16 19498 4 2 1 HEC CBA C 5.298 -6.859 10.749 1.00 . D A . 71 HEC CBA 1 1 16 19499 4 2 1 HEC CBB C -4.603 -10.649 9.377 1.00 . D A . 71 HEC CBB 1 1 16 19500 4 2 1 HEC CBC C -3.705 -5.247 1.948 1.00 . D A . 71 HEC CBC 1 1 16 19501 4 2 1 HEC CBD C 5.006 -2.646 5.999 1.00 . D A . 71 HEC CBD 1 1 16 19502 4 2 1 HEC CGA C 6.740 -6.576 11.185 1.00 . D A . 71 HEC CGA 1 1 16 19503 4 2 1 HEC CGD C 5.880 -2.998 7.201 1.00 . D A . 71 HEC CGD 1 1 16 19504 4 2 1 HEC CHA C 2.680 -4.609 8.306 1.00 . D A . 71 HEC CHA 1 1 16 19505 4 2 1 HEC CHB C 0.328 -8.442 10.183 1.00 . D A . 71 HEC CHB 1 1 16 19506 4 2 1 HEC CHC C -2.466 -8.701 6.214 1.00 . D A . 71 HEC CHC 1 1 16 19507 4 2 1 HEC CHD C -0.123 -4.921 4.317 1.00 . D A . 71 HEC CHD 1 1 16 19508 4 2 1 HEC CMA C 2.431 -7.655 12.286 1.00 . D A . 71 HEC CMA 1 1 16 19509 4 2 1 HEC CMB C -1.473 -10.884 10.619 1.00 . D A . 71 HEC CMB 1 1 16 19510 4 2 1 HEC CMC C -3.570 -8.412 3.383 1.00 . D A . 71 HEC CMC 1 1 16 19511 4 2 1 HEC CMD C 1.889 -2.594 3.808 1.00 . D A . 71 HEC CMD 1 1 16 19512 4 2 1 HEC FE FE 0.062 -6.573 7.352 1.00 . D A . 71 HEC FE 1 1 16 19513 4 2 1 HEC HAA1 H 4.790 -4.878 10.158 1.00 . D A . 71 HEC HAA1 1 1 16 19514 4 2 1 HEC HAA2 H 4.347 -5.260 11.823 1.00 . D A . 71 HEC HAA2 1 1 16 19515 4 2 1 HEC HAB H -4.150 -10.558 7.335 1.00 . D A . 71 HEC HAB 1 1 16 19516 4 2 1 HEC HAC H -1.670 -4.808 2.067 1.00 . D A . 71 HEC HAC 1 1 16 19517 4 2 1 HEC HAD1 H 3.313 -1.459 5.712 1.00 . D A . 71 HEC HAD1 1 1 16 19518 4 2 1 HEC HAD2 H 3.464 -2.008 7.371 1.00 . D A . 71 HEC HAD2 1 1 16 19519 4 2 1 HEC HBA1 H 4.920 -7.645 11.402 1.00 . D A . 71 HEC HBA1 1 1 16 19520 4 2 1 HEC HBA2 H 5.287 -7.240 9.728 1.00 . D A . 71 HEC HBA2 1 1 16 19521 4 2 1 HEC HBB1 H -4.863 -9.596 9.481 1.00 . D A . 71 HEC HBB1 1 1 16 19522 4 2 1 HEC HBB2 H -5.512 -11.208 9.154 1.00 . D A . 71 HEC HBB2 1 1 16 19523 4 2 1 HEC HBB3 H -4.197 -11.011 10.320 1.00 . D A . 71 HEC HBB3 1 1 16 19524 4 2 1 HEC HBC1 H -4.420 -6.055 2.097 1.00 . D A . 71 HEC HBC1 1 1 16 19525 4 2 1 HEC HBC2 H -3.939 -4.422 2.615 1.00 . D A . 71 HEC HBC2 1 1 16 19526 4 2 1 HEC HBC3 H -3.793 -4.887 0.921 1.00 . D A . 71 HEC HBC3 1 1 16 19527 4 2 1 HEC HBD1 H 5.000 -3.457 5.272 1.00 . D A . 71 HEC HBD1 1 1 16 19528 4 2 1 HEC HBD2 H 5.445 -1.768 5.530 1.00 . D A . 71 HEC HBD2 1 1 16 19529 4 2 1 HEC HHA H 3.529 -4.004 8.580 1.00 . D A . 71 HEC HHA 1 1 16 19530 4 2 1 HEC HHB H 0.425 -9.016 11.085 1.00 . D A . 71 HEC HHB 1 1 16 19531 4 2 1 HEC HHC H -3.192 -9.387 5.825 1.00 . D A . 71 HEC HHC 1 1 16 19532 4 2 1 HEC HHD H -0.119 -4.434 3.359 1.00 . D A . 71 HEC HHD 1 1 16 19533 4 2 1 HEC HMA1 H 2.817 -8.664 12.154 1.00 . D A . 71 HEC HMA1 1 1 16 19534 4 2 1 HEC HMA2 H 3.151 -7.072 12.861 1.00 . D A . 71 HEC HMA2 1 1 16 19535 4 2 1 HEC HMA3 H 1.494 -7.686 12.840 1.00 . D A . 71 HEC HMA3 1 1 16 19536 4 2 1 HEC HMB1 H -0.446 -11.167 10.841 1.00 . D A . 71 HEC HMB1 1 1 16 19537 4 2 1 HEC HMB2 H -1.913 -10.401 11.491 1.00 . D A . 71 HEC HMB2 1 1 16 19538 4 2 1 HEC HMB3 H -2.030 -11.792 10.396 1.00 . D A . 71 HEC HMB3 1 1 16 19539 4 2 1 HEC HMC1 H -4.552 -8.318 3.847 1.00 . D A . 71 HEC HMC1 1 1 16 19540 4 2 1 HEC HMC2 H -3.649 -8.184 2.324 1.00 . D A . 71 HEC HMC2 1 1 16 19541 4 2 1 HEC HMC3 H -3.220 -9.440 3.483 1.00 . D A . 71 HEC HMC3 1 1 16 19542 4 2 1 HEC HMD1 H 1.520 -1.609 4.092 1.00 . D A . 71 HEC HMD1 1 1 16 19543 4 2 1 HEC HMD2 H 2.935 -2.503 3.533 1.00 . D A . 71 HEC HMD2 1 1 16 19544 4 2 1 HEC HMD3 H 1.332 -2.946 2.949 1.00 . D A . 71 HEC HMD3 1 1 16 19545 4 2 1 HEC NA N 1.240 -6.513 8.950 1.00 . D A . 71 HEC NA 1 1 16 19546 4 2 1 HEC NB N -0.931 -8.205 8.071 1.00 . D A . 71 HEC NB 1 1 16 19547 4 2 1 HEC NC N -1.141 -6.728 5.652 1.00 . D A . 71 HEC NC 1 1 16 19548 4 2 1 HEC ND N 1.053 -5.062 6.494 1.00 . D A . 71 HEC ND 1 1 16 19549 4 2 1 HEC O1A O 6.915 -5.777 12.131 1.00 . D A . 71 HEC O1A 1 1 16 19550 4 2 1 HEC O1D O 5.501 -2.651 8.349 1.00 . D A . 71 HEC O1D 1 1 16 19551 4 2 1 HEC O2A O 7.640 -7.223 10.599 1.00 . D A . 71 HEC O2A 1 1 16 19552 4 2 1 HEC O2D O 6.913 -3.645 6.924 1.00 . D A . 71 HEC O2D 1 1 17 19553 1 1 1 ALA C C 8.238 3.913 -9.269 1.00 . A A . 1 ALA C 1 1 17 19554 1 1 1 ALA CA C 8.733 5.188 -8.593 1.00 . A A . 1 ALA CA 1 1 17 19555 1 1 1 ALA CB C 9.810 4.920 -7.534 1.00 . A A . 1 ALA CB 1 1 17 19556 1 1 1 ALA H1 H 7.273 5.430 -7.147 1.00 . A A . 1 ALA H1 1 1 17 19557 1 1 1 ALA H2 H 7.730 6.853 -7.852 1.00 . A A . 1 ALA H2 1 1 17 19558 1 1 1 ALA H3 H 6.811 5.732 -8.679 1.00 . A A . 1 ALA H3 1 1 17 19559 1 1 1 ALA HA H 9.156 5.825 -9.372 1.00 . A A . 1 ALA HA 1 1 17 19560 1 1 1 ALA HB1 H 10.073 5.849 -7.027 1.00 . A A . 1 ALA HB1 1 1 17 19561 1 1 1 ALA HB2 H 9.447 4.201 -6.800 1.00 . A A . 1 ALA HB2 1 1 17 19562 1 1 1 ALA HB3 H 10.709 4.519 -8.005 1.00 . A A . 1 ALA HB3 1 1 17 19563 1 1 1 ALA N N 7.560 5.872 -8.009 1.00 . A A . 1 ALA N 1 1 17 19564 1 1 1 ALA O O 7.026 3.809 -9.451 1.00 . A A . 1 ALA O 1 1 17 19565 1 1 2 ASP C C 9.104 0.519 -9.804 1.00 . A A . 2 ASP C 1 1 17 19566 1 1 2 ASP CA C 8.873 1.858 -10.498 1.00 . A A . 2 ASP CA 1 1 17 19567 1 1 2 ASP CB C 9.717 2.007 -11.776 1.00 . A A . 2 ASP CB 1 1 17 19568 1 1 2 ASP CG C 9.484 3.313 -12.529 1.00 . A A . 2 ASP CG 1 1 17 19569 1 1 2 ASP H H 10.086 3.281 -9.641 1.00 . A A . 2 ASP H 1 1 17 19570 1 1 2 ASP HA H 7.822 1.841 -10.733 1.00 . A A . 2 ASP HA 1 1 17 19571 1 1 2 ASP HB2 H 10.777 1.950 -11.523 1.00 . A A . 2 ASP HB2 1 1 17 19572 1 1 2 ASP HB3 H 9.488 1.178 -12.447 1.00 . A A . 2 ASP HB3 1 1 17 19573 1 1 2 ASP N N 9.132 2.982 -9.615 1.00 . A A . 2 ASP N 1 1 17 19574 1 1 2 ASP O O 9.938 -0.280 -10.221 1.00 . A A . 2 ASP O 1 1 17 19575 1 1 2 ASP OD1 O 9.644 4.383 -11.897 1.00 . A A . 2 ASP OD1 1 1 17 19576 1 1 2 ASP OD2 O 9.148 3.219 -13.728 1.00 . A A . 2 ASP OD2 1 1 17 19577 1 1 3 VAL C C 9.359 -1.052 -7.034 1.00 . A A . 3 VAL C 1 1 17 19578 1 1 3 VAL CA C 8.174 -0.940 -8.000 1.00 . A A . 3 VAL CA 1 1 17 19579 1 1 3 VAL CB C 7.945 -2.185 -8.884 1.00 . A A . 3 VAL CB 1 1 17 19580 1 1 3 VAL CG1 C 7.651 -3.429 -8.035 1.00 . A A . 3 VAL CG1 1 1 17 19581 1 1 3 VAL CG2 C 6.754 -1.968 -9.831 1.00 . A A . 3 VAL CG2 1 1 17 19582 1 1 3 VAL H H 7.683 1.046 -8.524 1.00 . A A . 3 VAL H 1 1 17 19583 1 1 3 VAL HA H 7.278 -0.808 -7.405 1.00 . A A . 3 VAL HA 1 1 17 19584 1 1 3 VAL HB H 8.835 -2.395 -9.476 1.00 . A A . 3 VAL HB 1 1 17 19585 1 1 3 VAL HG11 H 8.484 -3.643 -7.364 1.00 . A A . 3 VAL HG11 1 1 17 19586 1 1 3 VAL HG12 H 6.745 -3.283 -7.447 1.00 . A A . 3 VAL HG12 1 1 17 19587 1 1 3 VAL HG13 H 7.506 -4.291 -8.686 1.00 . A A . 3 VAL HG13 1 1 17 19588 1 1 3 VAL HG21 H 6.969 -1.176 -10.549 1.00 . A A . 3 VAL HG21 1 1 17 19589 1 1 3 VAL HG22 H 6.554 -2.883 -10.388 1.00 . A A . 3 VAL HG22 1 1 17 19590 1 1 3 VAL HG23 H 5.863 -1.702 -9.260 1.00 . A A . 3 VAL HG23 1 1 17 19591 1 1 3 VAL N N 8.278 0.283 -8.785 1.00 . A A . 3 VAL N 1 1 17 19592 1 1 3 VAL O O 10.498 -0.765 -7.392 1.00 . A A . 3 VAL O 1 1 17 19593 1 1 4 VAL C C 9.508 -2.487 -3.682 1.00 . A A . 4 VAL C 1 1 17 19594 1 1 4 VAL CA C 10.102 -1.580 -4.751 1.00 . A A . 4 VAL CA 1 1 17 19595 1 1 4 VAL CB C 10.530 -0.201 -4.194 1.00 . A A . 4 VAL CB 1 1 17 19596 1 1 4 VAL CG1 C 9.419 0.476 -3.380 1.00 . A A . 4 VAL CG1 1 1 17 19597 1 1 4 VAL CG2 C 11.794 -0.263 -3.325 1.00 . A A . 4 VAL CG2 1 1 17 19598 1 1 4 VAL H H 8.149 -1.703 -5.513 1.00 . A A . 4 VAL H 1 1 17 19599 1 1 4 VAL HA H 10.968 -2.082 -5.189 1.00 . A A . 4 VAL HA 1 1 17 19600 1 1 4 VAL HB H 10.765 0.439 -5.045 1.00 . A A . 4 VAL HB 1 1 17 19601 1 1 4 VAL HG11 H 9.119 -0.153 -2.535 1.00 . A A . 4 VAL HG11 1 1 17 19602 1 1 4 VAL HG12 H 9.780 1.427 -2.994 1.00 . A A . 4 VAL HG12 1 1 17 19603 1 1 4 VAL HG13 H 8.561 0.669 -4.022 1.00 . A A . 4 VAL HG13 1 1 17 19604 1 1 4 VAL HG21 H 12.517 -0.956 -3.756 1.00 . A A . 4 VAL HG21 1 1 17 19605 1 1 4 VAL HG22 H 12.243 0.729 -3.277 1.00 . A A . 4 VAL HG22 1 1 17 19606 1 1 4 VAL HG23 H 11.555 -0.570 -2.306 1.00 . A A . 4 VAL HG23 1 1 17 19607 1 1 4 VAL N N 9.087 -1.416 -5.780 1.00 . A A . 4 VAL N 1 1 17 19608 1 1 4 VAL O O 8.360 -2.917 -3.801 1.00 . A A . 4 VAL O 1 1 17 19609 1 1 5 THR C C 10.449 -2.854 -0.207 1.00 . A A . 5 THR C 1 1 17 19610 1 1 5 THR CA C 9.696 -3.331 -1.424 1.00 . A A . 5 THR CA 1 1 17 19611 1 1 5 THR CB C 9.796 -4.860 -1.554 1.00 . A A . 5 THR CB 1 1 17 19612 1 1 5 THR CG2 C 11.206 -5.380 -1.857 1.00 . A A . 5 THR CG2 1 1 17 19613 1 1 5 THR H H 11.210 -2.438 -2.547 1.00 . A A . 5 THR H 1 1 17 19614 1 1 5 THR HA H 8.679 -2.926 -1.270 1.00 . A A . 5 THR HA 1 1 17 19615 1 1 5 THR HB H 9.149 -5.171 -2.359 1.00 . A A . 5 THR HB 1 1 17 19616 1 1 5 THR HG1 H 8.609 -4.920 -0.083 1.00 . A A . 5 THR HG1 1 1 17 19617 1 1 5 THR HG21 H 11.559 -4.998 -2.815 1.00 . A A . 5 THR HG21 1 1 17 19618 1 1 5 THR HG22 H 11.902 -5.087 -1.070 1.00 . A A . 5 THR HG22 1 1 17 19619 1 1 5 THR HG23 H 11.179 -6.469 -1.908 1.00 . A A . 5 THR HG23 1 1 17 19620 1 1 5 THR N N 10.249 -2.736 -2.610 1.00 . A A . 5 THR N 1 1 17 19621 1 1 5 THR O O 11.624 -2.500 -0.283 1.00 . A A . 5 THR O 1 1 17 19622 1 1 5 THR OG1 O 9.347 -5.462 -0.374 1.00 . A A . 5 THR OG1 1 1 17 19623 1 1 6 TYR C C 10.226 -3.948 2.923 1.00 . A A . 6 TYR C 1 1 17 19624 1 1 6 TYR CA C 10.250 -2.597 2.218 1.00 . A A . 6 TYR CA 1 1 17 19625 1 1 6 TYR CB C 9.451 -1.494 2.923 1.00 . A A . 6 TYR CB 1 1 17 19626 1 1 6 TYR CD1 C 9.814 0.217 1.043 1.00 . A A . 6 TYR CD1 1 1 17 19627 1 1 6 TYR CD2 C 9.819 0.980 3.344 1.00 . A A . 6 TYR CD2 1 1 17 19628 1 1 6 TYR CE1 C 10.029 1.528 0.595 1.00 . A A . 6 TYR CE1 1 1 17 19629 1 1 6 TYR CE2 C 10.069 2.290 2.898 1.00 . A A . 6 TYR CE2 1 1 17 19630 1 1 6 TYR CG C 9.728 -0.077 2.420 1.00 . A A . 6 TYR CG 1 1 17 19631 1 1 6 TYR CZ C 10.222 2.562 1.528 1.00 . A A . 6 TYR CZ 1 1 17 19632 1 1 6 TYR H H 8.746 -3.131 0.838 1.00 . A A . 6 TYR H 1 1 17 19633 1 1 6 TYR HA H 11.275 -2.249 2.161 1.00 . A A . 6 TYR HA 1 1 17 19634 1 1 6 TYR HB2 H 8.386 -1.707 2.849 1.00 . A A . 6 TYR HB2 1 1 17 19635 1 1 6 TYR HB3 H 9.721 -1.535 3.980 1.00 . A A . 6 TYR HB3 1 1 17 19636 1 1 6 TYR HD1 H 9.518 -0.494 0.295 1.00 . A A . 6 TYR HD1 1 1 17 19637 1 1 6 TYR HD2 H 9.668 0.799 4.399 1.00 . A A . 6 TYR HD2 1 1 17 19638 1 1 6 TYR HE1 H 9.869 1.716 -0.459 1.00 . A A . 6 TYR HE1 1 1 17 19639 1 1 6 TYR HE2 H 10.054 3.098 3.611 1.00 . A A . 6 TYR HE2 1 1 17 19640 1 1 6 TYR HH H 10.690 3.897 0.166 1.00 . A A . 6 TYR HH 1 1 17 19641 1 1 6 TYR N N 9.715 -2.839 0.903 1.00 . A A . 6 TYR N 1 1 17 19642 1 1 6 TYR O O 9.153 -4.497 3.171 1.00 . A A . 6 TYR O 1 1 17 19643 1 1 6 TYR OH O 10.605 3.811 1.121 1.00 . A A . 6 TYR OH 1 1 17 19644 1 1 7 GLU C C 11.140 -5.495 5.405 1.00 . A A . 7 GLU C 1 1 17 19645 1 1 7 GLU CA C 11.573 -5.726 3.949 1.00 . A A . 7 GLU CA 1 1 17 19646 1 1 7 GLU CB C 13.002 -6.276 3.841 1.00 . A A . 7 GLU CB 1 1 17 19647 1 1 7 GLU CD C 15.436 -5.968 4.399 1.00 . A A . 7 GLU CD 1 1 17 19648 1 1 7 GLU CG C 14.098 -5.265 4.206 1.00 . A A . 7 GLU CG 1 1 17 19649 1 1 7 GLU H H 12.219 -4.125 2.703 1.00 . A A . 7 GLU H 1 1 17 19650 1 1 7 GLU HA H 10.921 -6.476 3.516 1.00 . A A . 7 GLU HA 1 1 17 19651 1 1 7 GLU HB2 H 13.083 -7.133 4.512 1.00 . A A . 7 GLU HB2 1 1 17 19652 1 1 7 GLU HB3 H 13.185 -6.627 2.824 1.00 . A A . 7 GLU HB3 1 1 17 19653 1 1 7 GLU HG2 H 14.198 -4.510 3.428 1.00 . A A . 7 GLU HG2 1 1 17 19654 1 1 7 GLU HG3 H 13.866 -4.770 5.147 1.00 . A A . 7 GLU HG3 1 1 17 19655 1 1 7 GLU N N 11.407 -4.528 3.142 1.00 . A A . 7 GLU N 1 1 17 19656 1 1 7 GLU O O 11.566 -4.537 6.043 1.00 . A A . 7 GLU O 1 1 17 19657 1 1 7 GLU OE1 O 15.509 -6.784 5.342 1.00 . A A . 7 GLU OE1 1 1 17 19658 1 1 7 GLU OE2 O 16.349 -5.686 3.595 1.00 . A A . 7 GLU OE2 1 1 17 19659 1 1 8 ASN C C 9.385 -7.873 7.537 1.00 . A A . 8 ASN C 1 1 17 19660 1 1 8 ASN CA C 9.705 -6.402 7.260 1.00 . A A . 8 ASN CA 1 1 17 19661 1 1 8 ASN CB C 8.430 -5.543 7.381 1.00 . A A . 8 ASN CB 1 1 17 19662 1 1 8 ASN CG C 8.402 -4.330 6.454 1.00 . A A . 8 ASN CG 1 1 17 19663 1 1 8 ASN H H 10.142 -7.248 5.418 1.00 . A A . 8 ASN H 1 1 17 19664 1 1 8 ASN HA H 10.447 -6.042 7.975 1.00 . A A . 8 ASN HA 1 1 17 19665 1 1 8 ASN HB2 H 7.570 -6.173 7.147 1.00 . A A . 8 ASN HB2 1 1 17 19666 1 1 8 ASN HB3 H 8.318 -5.206 8.412 1.00 . A A . 8 ASN HB3 1 1 17 19667 1 1 8 ASN HD21 H 6.646 -4.857 5.722 1.00 . A A . 8 ASN HD21 1 1 17 19668 1 1 8 ASN HD22 H 7.540 -3.697 4.731 1.00 . A A . 8 ASN HD22 1 1 17 19669 1 1 8 ASN N N 10.296 -6.392 5.925 1.00 . A A . 8 ASN N 1 1 17 19670 1 1 8 ASN ND2 N 7.520 -4.378 5.469 1.00 . A A . 8 ASN ND2 1 1 17 19671 1 1 8 ASN O O 9.470 -8.700 6.618 1.00 . A A . 8 ASN O 1 1 17 19672 1 1 8 ASN OD1 O 9.156 -3.375 6.601 1.00 . A A . 8 ASN OD1 1 1 17 19673 1 1 9 LYS C C 8.283 -10.608 8.824 1.00 . A A . 9 LYS C 1 1 17 19674 1 1 9 LYS CA C 9.287 -9.559 9.310 1.00 . A A . 9 LYS CA 1 1 17 19675 1 1 9 LYS CB C 9.330 -9.492 10.849 1.00 . A A . 9 LYS CB 1 1 17 19676 1 1 9 LYS CD C 11.836 -9.881 11.278 1.00 . A A . 9 LYS CD 1 1 17 19677 1 1 9 LYS CE C 12.155 -8.682 12.190 1.00 . A A . 9 LYS CE 1 1 17 19678 1 1 9 LYS CG C 10.401 -10.406 11.470 1.00 . A A . 9 LYS CG 1 1 17 19679 1 1 9 LYS H H 8.728 -7.501 9.445 1.00 . A A . 9 LYS H 1 1 17 19680 1 1 9 LYS HA H 10.259 -9.876 8.937 1.00 . A A . 9 LYS HA 1 1 17 19681 1 1 9 LYS HB2 H 9.510 -8.469 11.174 1.00 . A A . 9 LYS HB2 1 1 17 19682 1 1 9 LYS HB3 H 8.353 -9.777 11.239 1.00 . A A . 9 LYS HB3 1 1 17 19683 1 1 9 LYS HD2 H 12.523 -10.696 11.514 1.00 . A A . 9 LYS HD2 1 1 17 19684 1 1 9 LYS HD3 H 11.985 -9.608 10.233 1.00 . A A . 9 LYS HD3 1 1 17 19685 1 1 9 LYS HE2 H 11.367 -7.931 12.129 1.00 . A A . 9 LYS HE2 1 1 17 19686 1 1 9 LYS HE3 H 12.212 -9.028 13.225 1.00 . A A . 9 LYS HE3 1 1 17 19687 1 1 9 LYS HG2 H 10.199 -10.509 12.537 1.00 . A A . 9 LYS HG2 1 1 17 19688 1 1 9 LYS HG3 H 10.312 -11.396 11.016 1.00 . A A . 9 LYS HG3 1 1 17 19689 1 1 9 LYS HZ1 H 14.193 -8.682 11.864 1.00 . A A . 9 LYS HZ1 1 1 17 19690 1 1 9 LYS HZ2 H 13.363 -7.653 10.881 1.00 . A A . 9 LYS HZ2 1 1 17 19691 1 1 9 LYS HZ3 H 13.613 -7.261 12.454 1.00 . A A . 9 LYS HZ3 1 1 17 19692 1 1 9 LYS N N 9.048 -8.220 8.782 1.00 . A A . 9 LYS N 1 1 17 19693 1 1 9 LYS NZ N 13.427 -8.025 11.819 1.00 . A A . 9 LYS NZ 1 1 17 19694 1 1 9 LYS O O 8.506 -11.800 9.014 1.00 . A A . 9 LYS O 1 1 17 19695 1 1 10 LYS C C 6.500 -11.818 6.554 1.00 . A A . 10 LYS C 1 1 17 19696 1 1 10 LYS CA C 6.096 -11.108 7.833 1.00 . A A . 10 LYS CA 1 1 17 19697 1 1 10 LYS CB C 4.784 -10.356 7.596 1.00 . A A . 10 LYS CB 1 1 17 19698 1 1 10 LYS CD C 3.935 -10.258 10.025 1.00 . A A . 10 LYS CD 1 1 17 19699 1 1 10 LYS CE C 5.043 -10.700 11.006 1.00 . A A . 10 LYS CE 1 1 17 19700 1 1 10 LYS CG C 4.382 -9.476 8.774 1.00 . A A . 10 LYS CG 1 1 17 19701 1 1 10 LYS H H 7.043 -9.196 8.102 1.00 . A A . 10 LYS H 1 1 17 19702 1 1 10 LYS HA H 5.934 -11.870 8.596 1.00 . A A . 10 LYS HA 1 1 17 19703 1 1 10 LYS HB2 H 4.907 -9.697 6.738 1.00 . A A . 10 LYS HB2 1 1 17 19704 1 1 10 LYS HB3 H 3.985 -11.063 7.368 1.00 . A A . 10 LYS HB3 1 1 17 19705 1 1 10 LYS HD2 H 3.213 -9.647 10.558 1.00 . A A . 10 LYS HD2 1 1 17 19706 1 1 10 LYS HD3 H 3.397 -11.143 9.679 1.00 . A A . 10 LYS HD3 1 1 17 19707 1 1 10 LYS HE2 H 4.772 -11.689 11.380 1.00 . A A . 10 LYS HE2 1 1 17 19708 1 1 10 LYS HE3 H 6.005 -10.774 10.510 1.00 . A A . 10 LYS HE3 1 1 17 19709 1 1 10 LYS HG2 H 5.216 -8.809 8.963 1.00 . A A . 10 LYS HG2 1 1 17 19710 1 1 10 LYS HG3 H 3.543 -8.864 8.429 1.00 . A A . 10 LYS HG3 1 1 17 19711 1 1 10 LYS HZ1 H 5.914 -10.179 12.803 1.00 . A A . 10 LYS HZ1 1 1 17 19712 1 1 10 LYS HZ2 H 5.549 -8.887 11.938 1.00 . A A . 10 LYS HZ2 1 1 17 19713 1 1 10 LYS HZ3 H 4.348 -9.704 12.696 1.00 . A A . 10 LYS HZ3 1 1 17 19714 1 1 10 LYS N N 7.154 -10.189 8.246 1.00 . A A . 10 LYS N 1 1 17 19715 1 1 10 LYS NZ N 5.206 -9.816 12.182 1.00 . A A . 10 LYS NZ 1 1 17 19716 1 1 10 LYS O O 6.394 -13.040 6.460 1.00 . A A . 10 LYS O 1 1 17 19717 1 1 11 GLY C C 7.504 -10.199 3.390 1.00 . A A . 11 GLY C 1 1 17 19718 1 1 11 GLY CA C 7.329 -11.440 4.254 1.00 . A A . 11 GLY CA 1 1 17 19719 1 1 11 GLY H H 6.855 -10.018 5.751 1.00 . A A . 11 GLY H 1 1 17 19720 1 1 11 GLY HA2 H 8.279 -11.971 4.329 1.00 . A A . 11 GLY HA2 1 1 17 19721 1 1 11 GLY HA3 H 6.581 -12.093 3.805 1.00 . A A . 11 GLY HA3 1 1 17 19722 1 1 11 GLY N N 6.893 -11.013 5.570 1.00 . A A . 11 GLY N 1 1 17 19723 1 1 11 GLY O O 7.027 -10.156 2.258 1.00 . A A . 11 GLY O 1 1 17 19724 1 1 12 ASN C C 6.967 -7.211 3.050 1.00 . A A . 12 ASN C 1 1 17 19725 1 1 12 ASN CA C 8.321 -7.880 3.285 1.00 . A A . 12 ASN CA 1 1 17 19726 1 1 12 ASN CB C 9.139 -8.008 1.980 1.00 . A A . 12 ASN CB 1 1 17 19727 1 1 12 ASN CG C 10.469 -8.761 2.069 1.00 . A A . 12 ASN CG 1 1 17 19728 1 1 12 ASN H H 8.513 -9.258 4.891 1.00 . A A . 12 ASN H 1 1 17 19729 1 1 12 ASN HA H 8.843 -7.211 3.954 1.00 . A A . 12 ASN HA 1 1 17 19730 1 1 12 ASN HB2 H 8.532 -8.481 1.210 1.00 . A A . 12 ASN HB2 1 1 17 19731 1 1 12 ASN HB3 H 9.385 -7.006 1.636 1.00 . A A . 12 ASN HB3 1 1 17 19732 1 1 12 ASN HD21 H 10.427 -8.918 4.106 1.00 . A A . 12 ASN HD21 1 1 17 19733 1 1 12 ASN HD22 H 11.843 -9.566 3.297 1.00 . A A . 12 ASN HD22 1 1 17 19734 1 1 12 ASN N N 8.151 -9.168 3.948 1.00 . A A . 12 ASN N 1 1 17 19735 1 1 12 ASN ND2 N 10.953 -9.093 3.265 1.00 . A A . 12 ASN ND2 1 1 17 19736 1 1 12 ASN O O 5.945 -7.674 3.562 1.00 . A A . 12 ASN O 1 1 17 19737 1 1 12 ASN OD1 O 11.082 -9.044 1.047 1.00 . A A . 12 ASN OD1 1 1 17 19738 1 1 13 VAL C C 6.153 -5.072 0.314 1.00 . A A . 13 VAL C 1 1 17 19739 1 1 13 VAL CA C 5.801 -5.452 1.744 1.00 . A A . 13 VAL CA 1 1 17 19740 1 1 13 VAL CB C 5.476 -4.206 2.578 1.00 . A A . 13 VAL CB 1 1 17 19741 1 1 13 VAL CG1 C 4.625 -3.174 1.831 1.00 . A A . 13 VAL CG1 1 1 17 19742 1 1 13 VAL CG2 C 4.724 -4.646 3.831 1.00 . A A . 13 VAL CG2 1 1 17 19743 1 1 13 VAL H H 7.868 -5.668 2.120 1.00 . A A . 13 VAL H 1 1 17 19744 1 1 13 VAL HA H 4.940 -6.119 1.743 1.00 . A A . 13 VAL HA 1 1 17 19745 1 1 13 VAL HB H 6.408 -3.715 2.865 1.00 . A A . 13 VAL HB 1 1 17 19746 1 1 13 VAL HG11 H 5.110 -2.839 0.924 1.00 . A A . 13 VAL HG11 1 1 17 19747 1 1 13 VAL HG12 H 3.654 -3.596 1.574 1.00 . A A . 13 VAL HG12 1 1 17 19748 1 1 13 VAL HG13 H 4.511 -2.292 2.455 1.00 . A A . 13 VAL HG13 1 1 17 19749 1 1 13 VAL HG21 H 4.599 -3.788 4.477 1.00 . A A . 13 VAL HG21 1 1 17 19750 1 1 13 VAL HG22 H 3.747 -5.054 3.569 1.00 . A A . 13 VAL HG22 1 1 17 19751 1 1 13 VAL HG23 H 5.290 -5.398 4.369 1.00 . A A . 13 VAL HG23 1 1 17 19752 1 1 13 VAL N N 6.972 -6.109 2.301 1.00 . A A . 13 VAL N 1 1 17 19753 1 1 13 VAL O O 7.012 -4.206 0.124 1.00 . A A . 13 VAL O 1 1 17 19754 1 1 14 THR C C 4.986 -4.035 -2.409 1.00 . A A . 14 THR C 1 1 17 19755 1 1 14 THR CA C 5.753 -5.322 -2.073 1.00 . A A . 14 THR CA 1 1 17 19756 1 1 14 THR CB C 5.445 -6.495 -3.018 1.00 . A A . 14 THR CB 1 1 17 19757 1 1 14 THR CG2 C 3.950 -6.775 -3.190 1.00 . A A . 14 THR CG2 1 1 17 19758 1 1 14 THR H H 4.829 -6.413 -0.461 1.00 . A A . 14 THR H 1 1 17 19759 1 1 14 THR HA H 6.818 -5.123 -2.189 1.00 . A A . 14 THR HA 1 1 17 19760 1 1 14 THR HB H 5.921 -7.393 -2.620 1.00 . A A . 14 THR HB 1 1 17 19761 1 1 14 THR HG1 H 5.652 -6.841 -4.927 1.00 . A A . 14 THR HG1 1 1 17 19762 1 1 14 THR HG21 H 3.808 -7.684 -3.772 1.00 . A A . 14 THR HG21 1 1 17 19763 1 1 14 THR HG22 H 3.478 -6.903 -2.217 1.00 . A A . 14 THR HG22 1 1 17 19764 1 1 14 THR HG23 H 3.476 -5.949 -3.722 1.00 . A A . 14 THR HG23 1 1 17 19765 1 1 14 THR N N 5.521 -5.698 -0.682 1.00 . A A . 14 THR N 1 1 17 19766 1 1 14 THR O O 3.789 -3.934 -2.135 1.00 . A A . 14 THR O 1 1 17 19767 1 1 14 THR OG1 O 6.015 -6.227 -4.282 1.00 . A A . 14 THR OG1 1 1 17 19768 1 1 15 PHE C C 4.877 -1.896 -4.922 1.00 . A A . 15 PHE C 1 1 17 19769 1 1 15 PHE CA C 5.093 -1.786 -3.425 1.00 . A A . 15 PHE CA 1 1 17 19770 1 1 15 PHE CB C 6.040 -0.600 -3.220 1.00 . A A . 15 PHE CB 1 1 17 19771 1 1 15 PHE CD1 C 6.281 -0.928 -0.720 1.00 . A A . 15 PHE CD1 1 1 17 19772 1 1 15 PHE CD2 C 6.507 1.303 -1.667 1.00 . A A . 15 PHE CD2 1 1 17 19773 1 1 15 PHE CE1 C 6.575 -0.424 0.550 1.00 . A A . 15 PHE CE1 1 1 17 19774 1 1 15 PHE CE2 C 6.922 1.779 -0.419 1.00 . A A . 15 PHE CE2 1 1 17 19775 1 1 15 PHE CG C 6.211 -0.063 -1.826 1.00 . A A . 15 PHE CG 1 1 17 19776 1 1 15 PHE CZ C 6.902 0.927 0.694 1.00 . A A . 15 PHE CZ 1 1 17 19777 1 1 15 PHE H H 6.673 -3.139 -3.109 1.00 . A A . 15 PHE H 1 1 17 19778 1 1 15 PHE HA H 4.149 -1.568 -2.922 1.00 . A A . 15 PHE HA 1 1 17 19779 1 1 15 PHE HB2 H 7.018 -0.873 -3.601 1.00 . A A . 15 PHE HB2 1 1 17 19780 1 1 15 PHE HB3 H 5.670 0.224 -3.831 1.00 . A A . 15 PHE HB3 1 1 17 19781 1 1 15 PHE HD1 H 6.168 -1.989 -0.831 1.00 . A A . 15 PHE HD1 1 1 17 19782 1 1 15 PHE HD2 H 6.503 1.975 -2.514 1.00 . A A . 15 PHE HD2 1 1 17 19783 1 1 15 PHE HE1 H 6.662 -1.092 1.394 1.00 . A A . 15 PHE HE1 1 1 17 19784 1 1 15 PHE HE2 H 7.289 2.787 -0.324 1.00 . A A . 15 PHE HE2 1 1 17 19785 1 1 15 PHE HZ H 7.348 1.241 1.614 1.00 . A A . 15 PHE HZ 1 1 17 19786 1 1 15 PHE N N 5.679 -3.030 -2.956 1.00 . A A . 15 PHE N 1 1 17 19787 1 1 15 PHE O O 5.814 -1.676 -5.693 1.00 . A A . 15 PHE O 1 1 17 19788 1 1 16 ASP C C 3.204 -0.386 -6.995 1.00 . A A . 16 ASP C 1 1 17 19789 1 1 16 ASP CA C 3.188 -1.894 -6.695 1.00 . A A . 16 ASP CA 1 1 17 19790 1 1 16 ASP CB C 1.786 -2.505 -6.827 1.00 . A A . 16 ASP CB 1 1 17 19791 1 1 16 ASP CG C 1.833 -3.994 -7.116 1.00 . A A . 16 ASP CG 1 1 17 19792 1 1 16 ASP H H 2.937 -2.380 -4.652 1.00 . A A . 16 ASP H 1 1 17 19793 1 1 16 ASP HA H 3.857 -2.393 -7.397 1.00 . A A . 16 ASP HA 1 1 17 19794 1 1 16 ASP HB2 H 1.210 -2.329 -5.919 1.00 . A A . 16 ASP HB2 1 1 17 19795 1 1 16 ASP HB3 H 1.258 -2.056 -7.656 1.00 . A A . 16 ASP HB3 1 1 17 19796 1 1 16 ASP N N 3.634 -2.111 -5.331 1.00 . A A . 16 ASP N 1 1 17 19797 1 1 16 ASP O O 2.157 0.224 -7.183 1.00 . A A . 16 ASP O 1 1 17 19798 1 1 16 ASP OD1 O 2.274 -4.736 -6.214 1.00 . A A . 16 ASP OD1 1 1 17 19799 1 1 16 ASP OD2 O 1.433 -4.350 -8.246 1.00 . A A . 16 ASP OD2 1 1 17 19800 1 1 17 HIS C C 4.004 2.210 -8.448 1.00 . A A . 17 HIS C 1 1 17 19801 1 1 17 HIS CA C 4.527 1.685 -7.103 1.00 . A A . 17 HIS CA 1 1 17 19802 1 1 17 HIS CB C 5.995 2.090 -6.842 1.00 . A A . 17 HIS CB 1 1 17 19803 1 1 17 HIS CD2 C 5.321 4.401 -5.917 1.00 . A A . 17 HIS CD2 1 1 17 19804 1 1 17 HIS CE1 C 7.020 4.774 -4.587 1.00 . A A . 17 HIS CE1 1 1 17 19805 1 1 17 HIS CG C 6.191 3.347 -6.030 1.00 . A A . 17 HIS CG 1 1 17 19806 1 1 17 HIS H H 5.203 -0.337 -6.836 1.00 . A A . 17 HIS H 1 1 17 19807 1 1 17 HIS HA H 3.904 2.090 -6.305 1.00 . A A . 17 HIS HA 1 1 17 19808 1 1 17 HIS HB2 H 6.534 1.278 -6.361 1.00 . A A . 17 HIS HB2 1 1 17 19809 1 1 17 HIS HB3 H 6.504 2.256 -7.775 1.00 . A A . 17 HIS HB3 1 1 17 19810 1 1 17 HIS HD1 H 8.038 2.985 -5.012 1.00 . A A . 17 HIS HD1 1 1 17 19811 1 1 17 HIS HD2 H 4.367 4.494 -6.409 1.00 . A A . 17 HIS HD2 1 1 17 19812 1 1 17 HIS HE1 H 7.648 5.205 -3.826 1.00 . A A . 17 HIS HE1 1 1 17 19813 1 1 17 HIS N N 4.390 0.232 -7.037 1.00 . A A . 17 HIS N 1 1 17 19814 1 1 17 HIS ND1 N 7.257 3.601 -5.197 1.00 . A A . 17 HIS ND1 1 1 17 19815 1 1 17 HIS NE2 N 5.850 5.298 -4.985 1.00 . A A . 17 HIS NE2 1 1 17 19816 1 1 17 HIS O O 2.939 2.823 -8.520 1.00 . A A . 17 HIS O 1 1 17 19817 1 1 18 LYS C C 3.058 1.783 -11.237 1.00 . A A . 18 LYS C 1 1 17 19818 1 1 18 LYS CA C 4.403 2.387 -10.870 1.00 . A A . 18 LYS CA 1 1 17 19819 1 1 18 LYS CB C 5.507 1.992 -11.856 1.00 . A A . 18 LYS CB 1 1 17 19820 1 1 18 LYS CD C 6.231 1.859 -14.256 1.00 . A A . 18 LYS CD 1 1 17 19821 1 1 18 LYS CE C 5.830 1.831 -15.737 1.00 . A A . 18 LYS CE 1 1 17 19822 1 1 18 LYS CG C 5.041 2.021 -13.306 1.00 . A A . 18 LYS CG 1 1 17 19823 1 1 18 LYS H H 5.626 1.471 -9.405 1.00 . A A . 18 LYS H 1 1 17 19824 1 1 18 LYS HA H 4.319 3.473 -10.885 1.00 . A A . 18 LYS HA 1 1 17 19825 1 1 18 LYS HB2 H 6.291 2.743 -11.773 1.00 . A A . 18 LYS HB2 1 1 17 19826 1 1 18 LYS HB3 H 5.892 0.997 -11.629 1.00 . A A . 18 LYS HB3 1 1 17 19827 1 1 18 LYS HD2 H 6.880 2.722 -14.109 1.00 . A A . 18 LYS HD2 1 1 17 19828 1 1 18 LYS HD3 H 6.799 0.964 -13.994 1.00 . A A . 18 LYS HD3 1 1 17 19829 1 1 18 LYS HE2 H 5.348 2.775 -15.998 1.00 . A A . 18 LYS HE2 1 1 17 19830 1 1 18 LYS HE3 H 6.740 1.733 -16.333 1.00 . A A . 18 LYS HE3 1 1 17 19831 1 1 18 LYS HG2 H 4.318 1.225 -13.465 1.00 . A A . 18 LYS HG2 1 1 17 19832 1 1 18 LYS HG3 H 4.580 2.992 -13.455 1.00 . A A . 18 LYS HG3 1 1 17 19833 1 1 18 LYS HZ1 H 4.008 0.854 -15.619 1.00 . A A . 18 LYS HZ1 1 1 17 19834 1 1 18 LYS HZ2 H 4.732 0.682 -17.053 1.00 . A A . 18 LYS HZ2 1 1 17 19835 1 1 18 LYS HZ3 H 5.287 -0.170 -15.757 1.00 . A A . 18 LYS HZ3 1 1 17 19836 1 1 18 LYS N N 4.755 1.957 -9.526 1.00 . A A . 18 LYS N 1 1 17 19837 1 1 18 LYS NZ N 4.916 0.716 -16.062 1.00 . A A . 18 LYS NZ 1 1 17 19838 1 1 18 LYS O O 2.174 2.482 -11.704 1.00 . A A . 18 LYS O 1 1 17 19839 1 1 19 ALA C C 0.469 0.564 -10.557 1.00 . A A . 19 ALA C 1 1 17 19840 1 1 19 ALA CA C 1.660 -0.246 -11.092 1.00 . A A . 19 ALA CA 1 1 17 19841 1 1 19 ALA CB C 1.828 -1.538 -10.310 1.00 . A A . 19 ALA CB 1 1 17 19842 1 1 19 ALA H H 3.739 -0.004 -10.696 1.00 . A A . 19 ALA H 1 1 17 19843 1 1 19 ALA HA H 1.469 -0.509 -12.133 1.00 . A A . 19 ALA HA 1 1 17 19844 1 1 19 ALA HB1 H 2.514 -2.208 -10.829 1.00 . A A . 19 ALA HB1 1 1 17 19845 1 1 19 ALA HB2 H 2.256 -1.266 -9.352 1.00 . A A . 19 ALA HB2 1 1 17 19846 1 1 19 ALA HB3 H 0.865 -2.028 -10.169 1.00 . A A . 19 ALA HB3 1 1 17 19847 1 1 19 ALA N N 2.915 0.483 -11.007 1.00 . A A . 19 ALA N 1 1 17 19848 1 1 19 ALA O O -0.435 0.903 -11.314 1.00 . A A . 19 ALA O 1 1 17 19849 1 1 20 HIS C C -0.667 3.087 -9.371 1.00 . A A . 20 HIS C 1 1 17 19850 1 1 20 HIS CA C -0.663 1.694 -8.732 1.00 . A A . 20 HIS CA 1 1 17 19851 1 1 20 HIS CB C -0.624 1.740 -7.197 1.00 . A A . 20 HIS CB 1 1 17 19852 1 1 20 HIS CD2 C -1.719 0.299 -5.340 1.00 . A A . 20 HIS CD2 1 1 17 19853 1 1 20 HIS CE1 C -1.433 -1.690 -6.195 1.00 . A A . 20 HIS CE1 1 1 17 19854 1 1 20 HIS CG C -1.053 0.447 -6.531 1.00 . A A . 20 HIS CG 1 1 17 19855 1 1 20 HIS H H 1.217 0.686 -8.653 1.00 . A A . 20 HIS H 1 1 17 19856 1 1 20 HIS HA H -1.602 1.213 -9.014 1.00 . A A . 20 HIS HA 1 1 17 19857 1 1 20 HIS HB2 H 0.378 2.013 -6.861 1.00 . A A . 20 HIS HB2 1 1 17 19858 1 1 20 HIS HB3 H -1.304 2.518 -6.869 1.00 . A A . 20 HIS HB3 1 1 17 19859 1 1 20 HIS HD1 H -0.440 -1.023 -7.934 1.00 . A A . 20 HIS HD1 1 1 17 19860 1 1 20 HIS HD2 H -2.057 1.090 -4.695 1.00 . A A . 20 HIS HD2 1 1 17 19861 1 1 20 HIS HE1 H -1.463 -2.757 -6.346 1.00 . A A . 20 HIS HE1 1 1 17 19862 1 1 20 HIS N N 0.436 0.899 -9.266 1.00 . A A . 20 HIS N 1 1 17 19863 1 1 20 HIS ND1 N -0.897 -0.810 -7.059 1.00 . A A . 20 HIS ND1 1 1 17 19864 1 1 20 HIS NE2 N -1.944 -1.066 -5.123 1.00 . A A . 20 HIS NE2 1 1 17 19865 1 1 20 HIS O O -1.721 3.684 -9.569 1.00 . A A . 20 HIS O 1 1 17 19866 1 1 21 ALA C C -0.176 4.864 -11.804 1.00 . A A . 21 ALA C 1 1 17 19867 1 1 21 ALA CA C 0.538 4.902 -10.437 1.00 . A A . 21 ALA CA 1 1 17 19868 1 1 21 ALA CB C 1.979 5.403 -10.554 1.00 . A A . 21 ALA CB 1 1 17 19869 1 1 21 ALA H H 1.352 3.079 -9.601 1.00 . A A . 21 ALA H 1 1 17 19870 1 1 21 ALA HA H 0.013 5.613 -9.799 1.00 . A A . 21 ALA HA 1 1 17 19871 1 1 21 ALA HB1 H 2.517 4.848 -11.317 1.00 . A A . 21 ALA HB1 1 1 17 19872 1 1 21 ALA HB2 H 1.967 6.455 -10.837 1.00 . A A . 21 ALA HB2 1 1 17 19873 1 1 21 ALA HB3 H 2.487 5.290 -9.596 1.00 . A A . 21 ALA HB3 1 1 17 19874 1 1 21 ALA N N 0.496 3.615 -9.750 1.00 . A A . 21 ALA N 1 1 17 19875 1 1 21 ALA O O -0.869 5.801 -12.179 1.00 . A A . 21 ALA O 1 1 17 19876 1 1 22 GLU C C -2.059 3.203 -13.807 1.00 . A A . 22 GLU C 1 1 17 19877 1 1 22 GLU CA C -0.601 3.659 -13.905 1.00 . A A . 22 GLU CA 1 1 17 19878 1 1 22 GLU CB C 0.266 2.760 -14.811 1.00 . A A . 22 GLU CB 1 1 17 19879 1 1 22 GLU CD C 1.241 0.417 -15.176 1.00 . A A . 22 GLU CD 1 1 17 19880 1 1 22 GLU CG C 0.370 1.313 -14.319 1.00 . A A . 22 GLU CG 1 1 17 19881 1 1 22 GLU H H 0.497 3.020 -12.168 1.00 . A A . 22 GLU H 1 1 17 19882 1 1 22 GLU HA H -0.604 4.644 -14.376 1.00 . A A . 22 GLU HA 1 1 17 19883 1 1 22 GLU HB2 H -0.163 2.756 -15.814 1.00 . A A . 22 GLU HB2 1 1 17 19884 1 1 22 GLU HB3 H 1.270 3.183 -14.869 1.00 . A A . 22 GLU HB3 1 1 17 19885 1 1 22 GLU HG2 H 0.813 1.309 -13.335 1.00 . A A . 22 GLU HG2 1 1 17 19886 1 1 22 GLU HG3 H -0.622 0.875 -14.281 1.00 . A A . 22 GLU HG3 1 1 17 19887 1 1 22 GLU N N -0.027 3.784 -12.567 1.00 . A A . 22 GLU N 1 1 17 19888 1 1 22 GLU O O -2.919 3.706 -14.525 1.00 . A A . 22 GLU O 1 1 17 19889 1 1 22 GLU OE1 O 2.393 0.811 -15.462 1.00 . A A . 22 GLU OE1 1 1 17 19890 1 1 22 GLU OE2 O 0.740 -0.685 -15.490 1.00 . A A . 22 GLU OE2 1 1 17 19891 1 1 23 LYS C C -4.572 2.718 -12.018 1.00 . A A . 23 LYS C 1 1 17 19892 1 1 23 LYS CA C -3.672 1.699 -12.725 1.00 . A A . 23 LYS CA 1 1 17 19893 1 1 23 LYS CB C -3.586 0.378 -11.944 1.00 . A A . 23 LYS CB 1 1 17 19894 1 1 23 LYS CD C -3.348 -1.180 -13.963 1.00 . A A . 23 LYS CD 1 1 17 19895 1 1 23 LYS CE C -2.569 -2.360 -14.569 1.00 . A A . 23 LYS CE 1 1 17 19896 1 1 23 LYS CG C -2.746 -0.715 -12.633 1.00 . A A . 23 LYS CG 1 1 17 19897 1 1 23 LYS H H -1.579 1.829 -12.393 1.00 . A A . 23 LYS H 1 1 17 19898 1 1 23 LYS HA H -4.124 1.504 -13.697 1.00 . A A . 23 LYS HA 1 1 17 19899 1 1 23 LYS HB2 H -3.151 0.581 -10.964 1.00 . A A . 23 LYS HB2 1 1 17 19900 1 1 23 LYS HB3 H -4.596 -0.001 -11.788 1.00 . A A . 23 LYS HB3 1 1 17 19901 1 1 23 LYS HD2 H -4.367 -1.499 -13.742 1.00 . A A . 23 LYS HD2 1 1 17 19902 1 1 23 LYS HD3 H -3.401 -0.357 -14.676 1.00 . A A . 23 LYS HD3 1 1 17 19903 1 1 23 LYS HE2 H -2.189 -3.009 -13.776 1.00 . A A . 23 LYS HE2 1 1 17 19904 1 1 23 LYS HE3 H -3.263 -2.946 -15.175 1.00 . A A . 23 LYS HE3 1 1 17 19905 1 1 23 LYS HG2 H -1.730 -0.376 -12.807 1.00 . A A . 23 LYS HG2 1 1 17 19906 1 1 23 LYS HG3 H -2.700 -1.561 -11.945 1.00 . A A . 23 LYS HG3 1 1 17 19907 1 1 23 LYS HZ1 H -0.988 -2.740 -15.846 1.00 . A A . 23 LYS HZ1 1 1 17 19908 1 1 23 LYS HZ2 H -1.784 -1.364 -16.211 1.00 . A A . 23 LYS HZ2 1 1 17 19909 1 1 23 LYS HZ3 H -0.713 -1.399 -15.000 1.00 . A A . 23 LYS HZ3 1 1 17 19910 1 1 23 LYS N N -2.338 2.237 -12.926 1.00 . A A . 23 LYS N 1 1 17 19911 1 1 23 LYS NZ N -1.456 -1.938 -15.451 1.00 . A A . 23 LYS NZ 1 1 17 19912 1 1 23 LYS O O -5.742 2.834 -12.374 1.00 . A A . 23 LYS O 1 1 17 19913 1 1 24 LEU C C -4.474 5.826 -10.733 1.00 . A A . 24 LEU C 1 1 17 19914 1 1 24 LEU CA C -4.801 4.413 -10.242 1.00 . A A . 24 LEU CA 1 1 17 19915 1 1 24 LEU CB C -4.549 4.274 -8.729 1.00 . A A . 24 LEU CB 1 1 17 19916 1 1 24 LEU CD1 C -4.100 2.869 -6.717 1.00 . A A . 24 LEU CD1 1 1 17 19917 1 1 24 LEU CD2 C -5.746 2.053 -8.392 1.00 . A A . 24 LEU CD2 1 1 17 19918 1 1 24 LEU CG C -4.445 2.831 -8.206 1.00 . A A . 24 LEU CG 1 1 17 19919 1 1 24 LEU H H -3.071 3.306 -10.769 1.00 . A A . 24 LEU H 1 1 17 19920 1 1 24 LEU HA H -5.869 4.251 -10.392 1.00 . A A . 24 LEU HA 1 1 17 19921 1 1 24 LEU HB2 H -3.631 4.792 -8.457 1.00 . A A . 24 LEU HB2 1 1 17 19922 1 1 24 LEU HB3 H -5.370 4.774 -8.213 1.00 . A A . 24 LEU HB3 1 1 17 19923 1 1 24 LEU HD11 H -4.918 3.324 -6.174 1.00 . A A . 24 LEU HD11 1 1 17 19924 1 1 24 LEU HD12 H -3.937 1.858 -6.343 1.00 . A A . 24 LEU HD12 1 1 17 19925 1 1 24 LEU HD13 H -3.210 3.470 -6.548 1.00 . A A . 24 LEU HD13 1 1 17 19926 1 1 24 LEU HD21 H -5.625 1.058 -7.964 1.00 . A A . 24 LEU HD21 1 1 17 19927 1 1 24 LEU HD22 H -6.559 2.571 -7.884 1.00 . A A . 24 LEU HD22 1 1 17 19928 1 1 24 LEU HD23 H -5.976 1.958 -9.452 1.00 . A A . 24 LEU HD23 1 1 17 19929 1 1 24 LEU HG H -3.649 2.294 -8.719 1.00 . A A . 24 LEU HG 1 1 17 19930 1 1 24 LEU N N -4.047 3.431 -11.014 1.00 . A A . 24 LEU N 1 1 17 19931 1 1 24 LEU O O -5.343 6.491 -11.292 1.00 . A A . 24 LEU O 1 1 17 19932 1 1 25 GLY C C -1.622 8.070 -10.077 1.00 . A A . 25 GLY C 1 1 17 19933 1 1 25 GLY CA C -2.839 7.646 -10.895 1.00 . A A . 25 GLY CA 1 1 17 19934 1 1 25 GLY H H -2.513 5.700 -10.138 1.00 . A A . 25 GLY H 1 1 17 19935 1 1 25 GLY HA2 H -2.596 7.678 -11.958 1.00 . A A . 25 GLY HA2 1 1 17 19936 1 1 25 GLY HA3 H -3.654 8.347 -10.710 1.00 . A A . 25 GLY HA3 1 1 17 19937 1 1 25 GLY N N -3.236 6.295 -10.528 1.00 . A A . 25 GLY N 1 1 17 19938 1 1 25 GLY O O -0.484 7.946 -10.522 1.00 . A A . 25 GLY O 1 1 17 19939 1 1 26 CYS C C -1.517 9.608 -6.695 1.00 . A A . 26 CYS C 1 1 17 19940 1 1 26 CYS CA C -0.829 9.093 -7.959 1.00 . A A . 26 CYS CA 1 1 17 19941 1 1 26 CYS CB C -0.027 10.215 -8.603 1.00 . A A . 26 CYS CB 1 1 17 19942 1 1 26 CYS H H -2.847 8.619 -8.583 1.00 . A A . 26 CYS H 1 1 17 19943 1 1 26 CYS HA H -0.175 8.267 -7.689 1.00 . A A . 26 CYS HA 1 1 17 19944 1 1 26 CYS HB2 H 0.066 10.114 -9.681 1.00 . A A . 26 CYS HB2 1 1 17 19945 1 1 26 CYS HB3 H -0.506 11.178 -8.423 1.00 . A A . 26 CYS HB3 1 1 17 19946 1 1 26 CYS N N -1.862 8.576 -8.868 1.00 . A A . 26 CYS N 1 1 17 19947 1 1 26 CYS O O -1.214 9.195 -5.573 1.00 . A A . 26 CYS O 1 1 17 19948 1 1 26 CYS SG S 1.647 10.284 -7.917 1.00 . A A . 26 CYS SG 1 1 17 19949 1 1 27 ASP C C -4.001 9.888 -5.088 1.00 . A A . 27 ASP C 1 1 17 19950 1 1 27 ASP CA C -3.591 10.934 -6.117 1.00 . A A . 27 ASP CA 1 1 17 19951 1 1 27 ASP CB C -4.779 11.261 -7.046 1.00 . A A . 27 ASP CB 1 1 17 19952 1 1 27 ASP CG C -5.268 10.080 -7.896 1.00 . A A . 27 ASP CG 1 1 17 19953 1 1 27 ASP H H -2.762 10.448 -7.942 1.00 . A A . 27 ASP H 1 1 17 19954 1 1 27 ASP HA H -3.275 11.842 -5.603 1.00 . A A . 27 ASP HA 1 1 17 19955 1 1 27 ASP HB2 H -5.609 11.606 -6.428 1.00 . A A . 27 ASP HB2 1 1 17 19956 1 1 27 ASP HB3 H -4.498 12.070 -7.718 1.00 . A A . 27 ASP HB3 1 1 17 19957 1 1 27 ASP N N -2.509 10.458 -6.963 1.00 . A A . 27 ASP N 1 1 17 19958 1 1 27 ASP O O -4.169 10.187 -3.909 1.00 . A A . 27 ASP O 1 1 17 19959 1 1 27 ASP OD1 O -4.425 9.198 -8.210 1.00 . A A . 27 ASP OD1 1 1 17 19960 1 1 27 ASP OD2 O -6.473 10.074 -8.214 1.00 . A A . 27 ASP OD2 1 1 17 19961 1 1 28 ALA C C -3.753 7.398 -3.467 1.00 . A A . 28 ALA C 1 1 17 19962 1 1 28 ALA CA C -4.452 7.454 -4.826 1.00 . A A . 28 ALA CA 1 1 17 19963 1 1 28 ALA CB C -4.039 6.259 -5.683 1.00 . A A . 28 ALA CB 1 1 17 19964 1 1 28 ALA H H -4.037 8.583 -6.580 1.00 . A A . 28 ALA H 1 1 17 19965 1 1 28 ALA HA H -5.529 7.430 -4.678 1.00 . A A . 28 ALA HA 1 1 17 19966 1 1 28 ALA HB1 H -4.619 6.266 -6.604 1.00 . A A . 28 ALA HB1 1 1 17 19967 1 1 28 ALA HB2 H -2.977 6.324 -5.928 1.00 . A A . 28 ALA HB2 1 1 17 19968 1 1 28 ALA HB3 H -4.222 5.337 -5.138 1.00 . A A . 28 ALA HB3 1 1 17 19969 1 1 28 ALA N N -4.138 8.655 -5.570 1.00 . A A . 28 ALA N 1 1 17 19970 1 1 28 ALA O O -4.348 6.945 -2.492 1.00 . A A . 28 ALA O 1 1 17 19971 1 1 29 CYS C C -0.999 9.080 -1.898 1.00 . A A . 29 CYS C 1 1 17 19972 1 1 29 CYS CA C -1.641 7.735 -2.243 1.00 . A A . 29 CYS CA 1 1 17 19973 1 1 29 CYS CB C -0.573 6.701 -2.463 1.00 . A A . 29 CYS CB 1 1 17 19974 1 1 29 CYS H H -2.085 8.171 -4.292 1.00 . A A . 29 CYS H 1 1 17 19975 1 1 29 CYS HA H -2.232 7.428 -1.378 1.00 . A A . 29 CYS HA 1 1 17 19976 1 1 29 CYS HB2 H 0.121 7.064 -3.221 1.00 . A A . 29 CYS HB2 1 1 17 19977 1 1 29 CYS HB3 H -0.038 6.541 -1.530 1.00 . A A . 29 CYS HB3 1 1 17 19978 1 1 29 CYS N N -2.484 7.815 -3.429 1.00 . A A . 29 CYS N 1 1 17 19979 1 1 29 CYS O O -0.852 9.404 -0.721 1.00 . A A . 29 CYS O 1 1 17 19980 1 1 29 CYS SG S -1.285 5.116 -2.988 1.00 . A A . 29 CYS SG 1 1 17 19981 1 1 30 HIS C C -0.648 12.235 -3.249 1.00 . A A . 30 HIS C 1 1 17 19982 1 1 30 HIS CA C 0.187 11.072 -2.723 1.00 . A A . 30 HIS CA 1 1 17 19983 1 1 30 HIS CB C 1.495 11.000 -3.514 1.00 . A A . 30 HIS CB 1 1 17 19984 1 1 30 HIS CD2 C 2.824 8.888 -3.894 1.00 . A A . 30 HIS CD2 1 1 17 19985 1 1 30 HIS CE1 C 4.224 8.926 -2.227 1.00 . A A . 30 HIS CE1 1 1 17 19986 1 1 30 HIS CG C 2.461 9.922 -3.087 1.00 . A A . 30 HIS CG 1 1 17 19987 1 1 30 HIS H H -0.795 9.589 -3.861 1.00 . A A . 30 HIS H 1 1 17 19988 1 1 30 HIS HA H 0.450 11.245 -1.678 1.00 . A A . 30 HIS HA 1 1 17 19989 1 1 30 HIS HB2 H 1.231 10.833 -4.561 1.00 . A A . 30 HIS HB2 1 1 17 19990 1 1 30 HIS HB3 H 1.966 11.978 -3.477 1.00 . A A . 30 HIS HB3 1 1 17 19991 1 1 30 HIS HD1 H 3.484 10.647 -1.308 1.00 . A A . 30 HIS HD1 1 1 17 19992 1 1 30 HIS HD2 H 2.385 8.636 -4.838 1.00 . A A . 30 HIS HD2 1 1 17 19993 1 1 30 HIS HE1 H 5.082 8.698 -1.617 1.00 . A A . 30 HIS HE1 1 1 17 19994 1 1 30 HIS N N -0.564 9.842 -2.905 1.00 . A A . 30 HIS N 1 1 17 19995 1 1 30 HIS ND1 N 3.355 9.937 -2.028 1.00 . A A . 30 HIS ND1 1 1 17 19996 1 1 30 HIS NE2 N 3.946 8.270 -3.358 1.00 . A A . 30 HIS NE2 1 1 17 19997 1 1 30 HIS O O -0.884 12.309 -4.453 1.00 . A A . 30 HIS O 1 1 17 19998 1 1 31 GLU C C -0.637 15.417 -3.209 1.00 . A A . 31 GLU C 1 1 17 19999 1 1 31 GLU CA C -1.695 14.394 -2.771 1.00 . A A . 31 GLU CA 1 1 17 20000 1 1 31 GLU CB C -2.585 14.919 -1.633 1.00 . A A . 31 GLU CB 1 1 17 20001 1 1 31 GLU CD C -4.666 14.564 -0.258 1.00 . A A . 31 GLU CD 1 1 17 20002 1 1 31 GLU CG C -3.701 13.945 -1.265 1.00 . A A . 31 GLU CG 1 1 17 20003 1 1 31 GLU H H -0.838 13.014 -1.391 1.00 . A A . 31 GLU H 1 1 17 20004 1 1 31 GLU HA H -2.342 14.205 -3.631 1.00 . A A . 31 GLU HA 1 1 17 20005 1 1 31 GLU HB2 H -1.996 15.107 -0.732 1.00 . A A . 31 GLU HB2 1 1 17 20006 1 1 31 GLU HB3 H -3.076 15.842 -1.947 1.00 . A A . 31 GLU HB3 1 1 17 20007 1 1 31 GLU HG2 H -4.250 13.688 -2.169 1.00 . A A . 31 GLU HG2 1 1 17 20008 1 1 31 GLU HG3 H -3.269 13.047 -0.832 1.00 . A A . 31 GLU HG3 1 1 17 20009 1 1 31 GLU N N -1.043 13.157 -2.368 1.00 . A A . 31 GLU N 1 1 17 20010 1 1 31 GLU O O 0.130 15.175 -4.137 1.00 . A A . 31 GLU O 1 1 17 20011 1 1 31 GLU OE1 O -4.210 15.462 0.484 1.00 . A A . 31 GLU OE1 1 1 17 20012 1 1 31 GLU OE2 O -5.842 14.146 -0.262 1.00 . A A . 31 GLU OE2 1 1 17 20013 1 1 32 GLY C C 1.648 17.428 -3.214 1.00 . A A . 32 GLY C 1 1 17 20014 1 1 32 GLY CA C 0.179 17.737 -2.921 1.00 . A A . 32 GLY CA 1 1 17 20015 1 1 32 GLY H H -1.256 16.667 -1.770 1.00 . A A . 32 GLY H 1 1 17 20016 1 1 32 GLY HA2 H -0.276 18.177 -3.809 1.00 . A A . 32 GLY HA2 1 1 17 20017 1 1 32 GLY HA3 H 0.135 18.469 -2.114 1.00 . A A . 32 GLY HA3 1 1 17 20018 1 1 32 GLY N N -0.599 16.568 -2.529 1.00 . A A . 32 GLY N 1 1 17 20019 1 1 32 GLY O O 2.177 17.863 -4.236 1.00 . A A . 32 GLY O 1 1 17 20020 1 1 33 THR C C 3.906 14.931 -1.978 1.00 . A A . 33 THR C 1 1 17 20021 1 1 33 THR CA C 3.728 16.399 -2.377 1.00 . A A . 33 THR CA 1 1 17 20022 1 1 33 THR CB C 4.479 17.333 -1.413 1.00 . A A . 33 THR CB 1 1 17 20023 1 1 33 THR CG2 C 5.991 17.270 -1.637 1.00 . A A . 33 THR CG2 1 1 17 20024 1 1 33 THR H H 1.797 16.326 -1.519 1.00 . A A . 33 THR H 1 1 17 20025 1 1 33 THR HA H 4.086 16.573 -3.391 1.00 . A A . 33 THR HA 1 1 17 20026 1 1 33 THR HB H 4.252 17.041 -0.385 1.00 . A A . 33 THR HB 1 1 17 20027 1 1 33 THR HG1 H 4.477 19.230 -0.949 1.00 . A A . 33 THR HG1 1 1 17 20028 1 1 33 THR HG21 H 6.231 17.612 -2.645 1.00 . A A . 33 THR HG21 1 1 17 20029 1 1 33 THR HG22 H 6.497 17.912 -0.916 1.00 . A A . 33 THR HG22 1 1 17 20030 1 1 33 THR HG23 H 6.348 16.250 -1.510 1.00 . A A . 33 THR HG23 1 1 17 20031 1 1 33 THR N N 2.304 16.698 -2.309 1.00 . A A . 33 THR N 1 1 17 20032 1 1 33 THR O O 3.301 14.519 -0.990 1.00 . A A . 33 THR O 1 1 17 20033 1 1 33 THR OG1 O 4.058 18.669 -1.606 1.00 . A A . 33 THR OG1 1 1 17 20034 1 1 34 PRO C C 5.537 12.358 -1.177 1.00 . A A . 34 PRO C 1 1 17 20035 1 1 34 PRO CA C 4.763 12.697 -2.452 1.00 . A A . 34 PRO CA 1 1 17 20036 1 1 34 PRO CB C 5.352 12.049 -3.702 1.00 . A A . 34 PRO CB 1 1 17 20037 1 1 34 PRO CD C 5.367 14.442 -3.956 1.00 . A A . 34 PRO CD 1 1 17 20038 1 1 34 PRO CG C 6.157 13.183 -4.323 1.00 . A A . 34 PRO CG 1 1 17 20039 1 1 34 PRO HA H 3.751 12.341 -2.350 1.00 . A A . 34 PRO HA 1 1 17 20040 1 1 34 PRO HB2 H 5.961 11.175 -3.469 1.00 . A A . 34 PRO HB2 1 1 17 20041 1 1 34 PRO HB3 H 4.545 11.766 -4.381 1.00 . A A . 34 PRO HB3 1 1 17 20042 1 1 34 PRO HD2 H 6.039 15.296 -3.859 1.00 . A A . 34 PRO HD2 1 1 17 20043 1 1 34 PRO HD3 H 4.620 14.639 -4.728 1.00 . A A . 34 PRO HD3 1 1 17 20044 1 1 34 PRO HG2 H 7.132 13.207 -3.843 1.00 . A A . 34 PRO HG2 1 1 17 20045 1 1 34 PRO HG3 H 6.256 13.053 -5.398 1.00 . A A . 34 PRO HG3 1 1 17 20046 1 1 34 PRO N N 4.690 14.123 -2.712 1.00 . A A . 34 PRO N 1 1 17 20047 1 1 34 PRO O O 5.058 11.535 -0.399 1.00 . A A . 34 PRO O 1 1 17 20048 1 1 35 ALA C C 7.616 11.883 1.146 1.00 . A A . 35 ALA C 1 1 17 20049 1 1 35 ALA CA C 7.647 13.024 0.116 1.00 . A A . 35 ALA CA 1 1 17 20050 1 1 35 ALA CB C 7.505 14.391 0.799 1.00 . A A . 35 ALA CB 1 1 17 20051 1 1 35 ALA H H 6.967 13.588 -1.782 1.00 . A A . 35 ALA H 1 1 17 20052 1 1 35 ALA HA H 8.649 12.997 -0.314 1.00 . A A . 35 ALA HA 1 1 17 20053 1 1 35 ALA HB1 H 7.642 15.187 0.070 1.00 . A A . 35 ALA HB1 1 1 17 20054 1 1 35 ALA HB2 H 6.517 14.477 1.252 1.00 . A A . 35 ALA HB2 1 1 17 20055 1 1 35 ALA HB3 H 8.266 14.507 1.573 1.00 . A A . 35 ALA HB3 1 1 17 20056 1 1 35 ALA N N 6.720 12.973 -1.023 1.00 . A A . 35 ALA N 1 1 17 20057 1 1 35 ALA O O 7.846 12.135 2.326 1.00 . A A . 35 ALA O 1 1 17 20058 1 1 36 LYS C C 5.929 9.521 2.311 1.00 . A A . 36 LYS C 1 1 17 20059 1 1 36 LYS CA C 7.246 9.458 1.540 1.00 . A A . 36 LYS CA 1 1 17 20060 1 1 36 LYS CB C 8.419 9.180 2.493 1.00 . A A . 36 LYS CB 1 1 17 20061 1 1 36 LYS CD C 10.876 8.482 2.544 1.00 . A A . 36 LYS CD 1 1 17 20062 1 1 36 LYS CE C 10.584 6.980 2.696 1.00 . A A . 36 LYS CE 1 1 17 20063 1 1 36 LYS CG C 9.745 9.125 1.733 1.00 . A A . 36 LYS CG 1 1 17 20064 1 1 36 LYS H H 7.163 10.557 -0.270 1.00 . A A . 36 LYS H 1 1 17 20065 1 1 36 LYS HA H 7.179 8.623 0.844 1.00 . A A . 36 LYS HA 1 1 17 20066 1 1 36 LYS HB2 H 8.478 9.938 3.275 1.00 . A A . 36 LYS HB2 1 1 17 20067 1 1 36 LYS HB3 H 8.225 8.224 2.982 1.00 . A A . 36 LYS HB3 1 1 17 20068 1 1 36 LYS HD2 H 11.815 8.645 2.009 1.00 . A A . 36 LYS HD2 1 1 17 20069 1 1 36 LYS HD3 H 10.945 8.962 3.522 1.00 . A A . 36 LYS HD3 1 1 17 20070 1 1 36 LYS HE2 H 10.422 6.724 3.744 1.00 . A A . 36 LYS HE2 1 1 17 20071 1 1 36 LYS HE3 H 9.682 6.740 2.137 1.00 . A A . 36 LYS HE3 1 1 17 20072 1 1 36 LYS HG2 H 9.619 8.540 0.827 1.00 . A A . 36 LYS HG2 1 1 17 20073 1 1 36 LYS HG3 H 10.009 10.140 1.447 1.00 . A A . 36 LYS HG3 1 1 17 20074 1 1 36 LYS HZ1 H 11.790 6.382 1.145 1.00 . A A . 36 LYS HZ1 1 1 17 20075 1 1 36 LYS HZ2 H 12.475 6.120 2.632 1.00 . A A . 36 LYS HZ2 1 1 17 20076 1 1 36 LYS HZ3 H 11.237 5.162 2.054 1.00 . A A . 36 LYS HZ3 1 1 17 20077 1 1 36 LYS N N 7.432 10.639 0.699 1.00 . A A . 36 LYS N 1 1 17 20078 1 1 36 LYS NZ N 11.614 6.107 2.111 1.00 . A A . 36 LYS NZ 1 1 17 20079 1 1 36 LYS O O 5.505 10.579 2.765 1.00 . A A . 36 LYS O 1 1 17 20080 1 1 37 ILE C C 3.995 8.175 4.548 1.00 . A A . 37 ILE C 1 1 17 20081 1 1 37 ILE CA C 3.924 8.364 3.043 1.00 . A A . 37 ILE CA 1 1 17 20082 1 1 37 ILE CB C 3.013 7.315 2.396 1.00 . A A . 37 ILE CB 1 1 17 20083 1 1 37 ILE CD1 C 2.016 6.937 0.055 1.00 . A A . 37 ILE CD1 1 1 17 20084 1 1 37 ILE CG1 C 3.188 7.455 0.884 1.00 . A A . 37 ILE CG1 1 1 17 20085 1 1 37 ILE CG2 C 1.559 7.509 2.856 1.00 . A A . 37 ILE CG2 1 1 17 20086 1 1 37 ILE H H 5.700 7.526 2.061 1.00 . A A . 37 ILE H 1 1 17 20087 1 1 37 ILE HA H 3.450 9.327 2.876 1.00 . A A . 37 ILE HA 1 1 17 20088 1 1 37 ILE HB H 3.336 6.318 2.689 1.00 . A A . 37 ILE HB 1 1 17 20089 1 1 37 ILE HD11 H 2.258 7.055 -1.001 1.00 . A A . 37 ILE HD11 1 1 17 20090 1 1 37 ILE HD12 H 1.821 5.890 0.281 1.00 . A A . 37 ILE HD12 1 1 17 20091 1 1 37 ILE HD13 H 1.126 7.532 0.258 1.00 . A A . 37 ILE HD13 1 1 17 20092 1 1 37 ILE HG12 H 3.318 8.503 0.637 1.00 . A A . 37 ILE HG12 1 1 17 20093 1 1 37 ILE HG13 H 4.104 6.923 0.640 1.00 . A A . 37 ILE HG13 1 1 17 20094 1 1 37 ILE HG21 H 1.191 8.486 2.539 1.00 . A A . 37 ILE HG21 1 1 17 20095 1 1 37 ILE HG22 H 0.921 6.730 2.438 1.00 . A A . 37 ILE HG22 1 1 17 20096 1 1 37 ILE HG23 H 1.489 7.440 3.941 1.00 . A A . 37 ILE HG23 1 1 17 20097 1 1 37 ILE N N 5.266 8.370 2.438 1.00 . A A . 37 ILE N 1 1 17 20098 1 1 37 ILE O O 3.307 8.853 5.307 1.00 . A A . 37 ILE O 1 1 17 20099 1 1 38 ALA C C 4.267 5.388 6.431 1.00 . A A . 38 ALA C 1 1 17 20100 1 1 38 ALA CA C 5.078 6.665 6.253 1.00 . A A . 38 ALA CA 1 1 17 20101 1 1 38 ALA CB C 4.897 7.702 7.346 1.00 . A A . 38 ALA CB 1 1 17 20102 1 1 38 ALA H H 5.300 6.719 4.179 1.00 . A A . 38 ALA H 1 1 17 20103 1 1 38 ALA HA H 6.131 6.386 6.298 1.00 . A A . 38 ALA HA 1 1 17 20104 1 1 38 ALA HB1 H 5.430 8.588 7.004 1.00 . A A . 38 ALA HB1 1 1 17 20105 1 1 38 ALA HB2 H 3.842 7.920 7.497 1.00 . A A . 38 ALA HB2 1 1 17 20106 1 1 38 ALA HB3 H 5.335 7.332 8.272 1.00 . A A . 38 ALA HB3 1 1 17 20107 1 1 38 ALA N N 4.821 7.210 4.931 1.00 . A A . 38 ALA N 1 1 17 20108 1 1 38 ALA O O 3.459 5.254 7.353 1.00 . A A . 38 ALA O 1 1 17 20109 1 1 39 ILE C C 4.645 2.338 6.759 1.00 . A A . 39 ILE C 1 1 17 20110 1 1 39 ILE CA C 3.967 3.086 5.615 1.00 . A A . 39 ILE CA 1 1 17 20111 1 1 39 ILE CB C 4.065 2.416 4.249 1.00 . A A . 39 ILE CB 1 1 17 20112 1 1 39 ILE CD1 C 1.671 3.282 3.601 1.00 . A A . 39 ILE CD1 1 1 17 20113 1 1 39 ILE CG1 C 3.171 3.193 3.282 1.00 . A A . 39 ILE CG1 1 1 17 20114 1 1 39 ILE CG2 C 3.658 0.941 4.238 1.00 . A A . 39 ILE CG2 1 1 17 20115 1 1 39 ILE H H 5.137 4.662 4.754 1.00 . A A . 39 ILE H 1 1 17 20116 1 1 39 ILE HA H 2.911 3.128 5.874 1.00 . A A . 39 ILE HA 1 1 17 20117 1 1 39 ILE HB H 5.095 2.476 3.893 1.00 . A A . 39 ILE HB 1 1 17 20118 1 1 39 ILE HD11 H 1.164 3.738 2.751 1.00 . A A . 39 ILE HD11 1 1 17 20119 1 1 39 ILE HD12 H 1.247 2.292 3.766 1.00 . A A . 39 ILE HD12 1 1 17 20120 1 1 39 ILE HD13 H 1.485 3.912 4.470 1.00 . A A . 39 ILE HD13 1 1 17 20121 1 1 39 ILE HG12 H 3.561 4.196 3.146 1.00 . A A . 39 ILE HG12 1 1 17 20122 1 1 39 ILE HG13 H 3.283 2.658 2.360 1.00 . A A . 39 ILE HG13 1 1 17 20123 1 1 39 ILE HG21 H 2.692 0.824 4.718 1.00 . A A . 39 ILE HG21 1 1 17 20124 1 1 39 ILE HG22 H 3.594 0.576 3.213 1.00 . A A . 39 ILE HG22 1 1 17 20125 1 1 39 ILE HG23 H 4.402 0.343 4.760 1.00 . A A . 39 ILE HG23 1 1 17 20126 1 1 39 ILE N N 4.490 4.438 5.521 1.00 . A A . 39 ILE N 1 1 17 20127 1 1 39 ILE O O 5.550 1.529 6.584 1.00 . A A . 39 ILE O 1 1 17 20128 1 1 40 ASP C C 3.175 0.854 9.250 1.00 . A A . 40 ASP C 1 1 17 20129 1 1 40 ASP CA C 4.302 1.868 9.167 1.00 . A A . 40 ASP CA 1 1 17 20130 1 1 40 ASP CB C 4.266 2.789 10.396 1.00 . A A . 40 ASP CB 1 1 17 20131 1 1 40 ASP CG C 4.322 2.029 11.714 1.00 . A A . 40 ASP CG 1 1 17 20132 1 1 40 ASP H H 3.365 3.297 7.877 1.00 . A A . 40 ASP H 1 1 17 20133 1 1 40 ASP HA H 5.260 1.343 9.142 1.00 . A A . 40 ASP HA 1 1 17 20134 1 1 40 ASP HB2 H 5.145 3.421 10.359 1.00 . A A . 40 ASP HB2 1 1 17 20135 1 1 40 ASP HB3 H 3.362 3.391 10.377 1.00 . A A . 40 ASP HB3 1 1 17 20136 1 1 40 ASP N N 4.122 2.631 7.943 1.00 . A A . 40 ASP N 1 1 17 20137 1 1 40 ASP O O 2.154 0.986 8.571 1.00 . A A . 40 ASP O 1 1 17 20138 1 1 40 ASP OD1 O 5.367 1.399 11.961 1.00 . A A . 40 ASP OD1 1 1 17 20139 1 1 40 ASP OD2 O 3.286 1.978 12.416 1.00 . A A . 40 ASP OD2 1 1 17 20140 1 1 41 LYS C C 1.026 -0.397 10.794 1.00 . A A . 41 LYS C 1 1 17 20141 1 1 41 LYS CA C 2.353 -1.087 10.524 1.00 . A A . 41 LYS CA 1 1 17 20142 1 1 41 LYS CB C 2.857 -1.975 11.673 1.00 . A A . 41 LYS CB 1 1 17 20143 1 1 41 LYS CD C 2.819 -0.884 14.027 1.00 . A A . 41 LYS CD 1 1 17 20144 1 1 41 LYS CE C 3.736 -0.096 14.971 1.00 . A A . 41 LYS CE 1 1 17 20145 1 1 41 LYS CG C 3.659 -1.418 12.862 1.00 . A A . 41 LYS CG 1 1 17 20146 1 1 41 LYS H H 4.208 -0.039 10.681 1.00 . A A . 41 LYS H 1 1 17 20147 1 1 41 LYS HA H 2.154 -1.746 9.682 1.00 . A A . 41 LYS HA 1 1 17 20148 1 1 41 LYS HB2 H 2.021 -2.550 12.044 1.00 . A A . 41 LYS HB2 1 1 17 20149 1 1 41 LYS HB3 H 3.550 -2.641 11.184 1.00 . A A . 41 LYS HB3 1 1 17 20150 1 1 41 LYS HD2 H 2.044 -0.223 13.656 1.00 . A A . 41 LYS HD2 1 1 17 20151 1 1 41 LYS HD3 H 2.348 -1.724 14.541 1.00 . A A . 41 LYS HD3 1 1 17 20152 1 1 41 LYS HE2 H 4.467 -0.770 15.421 1.00 . A A . 41 LYS HE2 1 1 17 20153 1 1 41 LYS HE3 H 4.275 0.664 14.399 1.00 . A A . 41 LYS HE3 1 1 17 20154 1 1 41 LYS HG2 H 4.258 -2.242 13.255 1.00 . A A . 41 LYS HG2 1 1 17 20155 1 1 41 LYS HG3 H 4.370 -0.670 12.532 1.00 . A A . 41 LYS HG3 1 1 17 20156 1 1 41 LYS HZ1 H 3.608 1.115 16.613 1.00 . A A . 41 LYS HZ1 1 1 17 20157 1 1 41 LYS HZ2 H 2.325 1.238 15.591 1.00 . A A . 41 LYS HZ2 1 1 17 20158 1 1 41 LYS HZ3 H 2.467 -0.076 16.588 1.00 . A A . 41 LYS HZ3 1 1 17 20159 1 1 41 LYS N N 3.362 -0.121 10.135 1.00 . A A . 41 LYS N 1 1 17 20160 1 1 41 LYS NZ N 2.972 0.594 16.025 1.00 . A A . 41 LYS NZ 1 1 17 20161 1 1 41 LYS O O -0.001 -0.785 10.240 1.00 . A A . 41 LYS O 1 1 17 20162 1 1 42 LYS C C -0.689 1.974 10.588 1.00 . A A . 42 LYS C 1 1 17 20163 1 1 42 LYS CA C -0.056 1.504 11.897 1.00 . A A . 42 LYS CA 1 1 17 20164 1 1 42 LYS CB C 0.427 2.659 12.786 1.00 . A A . 42 LYS CB 1 1 17 20165 1 1 42 LYS CD C -0.270 4.682 14.093 1.00 . A A . 42 LYS CD 1 1 17 20166 1 1 42 LYS CE C -1.460 5.506 14.605 1.00 . A A . 42 LYS CE 1 1 17 20167 1 1 42 LYS CG C -0.758 3.467 13.293 1.00 . A A . 42 LYS CG 1 1 17 20168 1 1 42 LYS H H 1.975 0.954 11.962 1.00 . A A . 42 LYS H 1 1 17 20169 1 1 42 LYS HA H -0.786 0.909 12.447 1.00 . A A . 42 LYS HA 1 1 17 20170 1 1 42 LYS HB2 H 0.957 2.249 13.646 1.00 . A A . 42 LYS HB2 1 1 17 20171 1 1 42 LYS HB3 H 1.108 3.308 12.234 1.00 . A A . 42 LYS HB3 1 1 17 20172 1 1 42 LYS HD2 H 0.337 4.331 14.931 1.00 . A A . 42 LYS HD2 1 1 17 20173 1 1 42 LYS HD3 H 0.355 5.293 13.437 1.00 . A A . 42 LYS HD3 1 1 17 20174 1 1 42 LYS HE2 H -2.074 5.811 13.756 1.00 . A A . 42 LYS HE2 1 1 17 20175 1 1 42 LYS HE3 H -2.069 4.885 15.266 1.00 . A A . 42 LYS HE3 1 1 17 20176 1 1 42 LYS HG2 H -1.337 3.794 12.432 1.00 . A A . 42 LYS HG2 1 1 17 20177 1 1 42 LYS HG3 H -1.354 2.796 13.909 1.00 . A A . 42 LYS HG3 1 1 17 20178 1 1 42 LYS HZ1 H -0.465 6.456 16.140 1.00 . A A . 42 LYS HZ1 1 1 17 20179 1 1 42 LYS HZ2 H -0.477 7.312 14.734 1.00 . A A . 42 LYS HZ2 1 1 17 20180 1 1 42 LYS HZ3 H -1.832 7.230 15.661 1.00 . A A . 42 LYS HZ3 1 1 17 20181 1 1 42 LYS N N 1.069 0.659 11.602 1.00 . A A . 42 LYS N 1 1 17 20182 1 1 42 LYS NZ N -1.024 6.714 15.338 1.00 . A A . 42 LYS NZ 1 1 17 20183 1 1 42 LYS O O -1.759 1.495 10.231 1.00 . A A . 42 LYS O 1 1 17 20184 1 1 43 SER C C -1.171 2.499 7.733 1.00 . A A . 43 SER C 1 1 17 20185 1 1 43 SER CA C -0.579 3.538 8.686 1.00 . A A . 43 SER CA 1 1 17 20186 1 1 43 SER CB C 0.553 4.329 8.027 1.00 . A A . 43 SER CB 1 1 17 20187 1 1 43 SER H H 0.848 3.262 10.192 1.00 . A A . 43 SER H 1 1 17 20188 1 1 43 SER HA H -1.362 4.236 8.986 1.00 . A A . 43 SER HA 1 1 17 20189 1 1 43 SER HB2 H 1.213 3.657 7.477 1.00 . A A . 43 SER HB2 1 1 17 20190 1 1 43 SER HB3 H 0.137 5.052 7.326 1.00 . A A . 43 SER HB3 1 1 17 20191 1 1 43 SER HG H 2.127 5.311 8.613 1.00 . A A . 43 SER HG 1 1 17 20192 1 1 43 SER N N -0.050 2.911 9.884 1.00 . A A . 43 SER N 1 1 17 20193 1 1 43 SER O O -2.362 2.537 7.428 1.00 . A A . 43 SER O 1 1 17 20194 1 1 43 SER OG O 1.319 4.972 9.029 1.00 . A A . 43 SER OG 1 1 17 20195 1 1 44 ALA C C -1.928 -0.275 6.857 1.00 . A A . 44 ALA C 1 1 17 20196 1 1 44 ALA CA C -0.645 0.431 6.457 1.00 . A A . 44 ALA CA 1 1 17 20197 1 1 44 ALA CB C 0.505 -0.562 6.531 1.00 . A A . 44 ALA CB 1 1 17 20198 1 1 44 ALA H H 0.616 1.569 7.691 1.00 . A A . 44 ALA H 1 1 17 20199 1 1 44 ALA HA H -0.753 0.770 5.430 1.00 . A A . 44 ALA HA 1 1 17 20200 1 1 44 ALA HB1 H 0.630 -0.941 7.545 1.00 . A A . 44 ALA HB1 1 1 17 20201 1 1 44 ALA HB2 H 0.263 -1.389 5.869 1.00 . A A . 44 ALA HB2 1 1 17 20202 1 1 44 ALA HB3 H 1.430 -0.072 6.233 1.00 . A A . 44 ALA HB3 1 1 17 20203 1 1 44 ALA N N -0.327 1.552 7.321 1.00 . A A . 44 ALA N 1 1 17 20204 1 1 44 ALA O O -2.821 -0.454 6.025 1.00 . A A . 44 ALA O 1 1 17 20205 1 1 45 HIS C C -4.314 -0.584 8.951 1.00 . A A . 45 HIS C 1 1 17 20206 1 1 45 HIS CA C -3.133 -1.484 8.577 1.00 . A A . 45 HIS CA 1 1 17 20207 1 1 45 HIS CB C -2.742 -2.470 9.682 1.00 . A A . 45 HIS CB 1 1 17 20208 1 1 45 HIS CD2 C -1.210 -4.022 8.245 1.00 . A A . 45 HIS CD2 1 1 17 20209 1 1 45 HIS CE1 C -1.920 -5.951 8.988 1.00 . A A . 45 HIS CE1 1 1 17 20210 1 1 45 HIS CG C -2.204 -3.791 9.172 1.00 . A A . 45 HIS CG 1 1 17 20211 1 1 45 HIS H H -1.238 -0.523 8.768 1.00 . A A . 45 HIS H 1 1 17 20212 1 1 45 HIS HA H -3.467 -2.107 7.759 1.00 . A A . 45 HIS HA 1 1 17 20213 1 1 45 HIS HB2 H -2.041 -2.020 10.381 1.00 . A A . 45 HIS HB2 1 1 17 20214 1 1 45 HIS HB3 H -3.640 -2.706 10.252 1.00 . A A . 45 HIS HB3 1 1 17 20215 1 1 45 HIS HD1 H -3.299 -5.179 10.364 1.00 . A A . 45 HIS HD1 1 1 17 20216 1 1 45 HIS HD2 H -0.622 -3.276 7.734 1.00 . A A . 45 HIS HD2 1 1 17 20217 1 1 45 HIS HE1 H -2.009 -6.999 9.206 1.00 . A A . 45 HIS HE1 1 1 17 20218 1 1 45 HIS N N -1.993 -0.723 8.112 1.00 . A A . 45 HIS N 1 1 17 20219 1 1 45 HIS ND1 N -2.633 -5.013 9.624 1.00 . A A . 45 HIS ND1 1 1 17 20220 1 1 45 HIS NE2 N -1.035 -5.413 8.132 1.00 . A A . 45 HIS NE2 1 1 17 20221 1 1 45 HIS O O -5.416 -1.110 9.111 1.00 . A A . 45 HIS O 1 1 17 20222 1 1 46 LYS C C -5.749 2.350 8.295 1.00 . A A . 46 LYS C 1 1 17 20223 1 1 46 LYS CA C -5.106 1.691 9.520 1.00 . A A . 46 LYS CA 1 1 17 20224 1 1 46 LYS CB C -4.407 2.661 10.494 1.00 . A A . 46 LYS CB 1 1 17 20225 1 1 46 LYS CD C -5.518 4.939 10.326 1.00 . A A . 46 LYS CD 1 1 17 20226 1 1 46 LYS CE C -5.901 6.182 11.142 1.00 . A A . 46 LYS CE 1 1 17 20227 1 1 46 LYS CG C -5.262 3.715 11.209 1.00 . A A . 46 LYS CG 1 1 17 20228 1 1 46 LYS H H -3.171 1.092 8.920 1.00 . A A . 46 LYS H 1 1 17 20229 1 1 46 LYS HA H -5.890 1.176 10.077 1.00 . A A . 46 LYS HA 1 1 17 20230 1 1 46 LYS HB2 H -3.987 2.040 11.288 1.00 . A A . 46 LYS HB2 1 1 17 20231 1 1 46 LYS HB3 H -3.580 3.163 9.992 1.00 . A A . 46 LYS HB3 1 1 17 20232 1 1 46 LYS HD2 H -4.621 5.162 9.743 1.00 . A A . 46 LYS HD2 1 1 17 20233 1 1 46 LYS HD3 H -6.331 4.680 9.651 1.00 . A A . 46 LYS HD3 1 1 17 20234 1 1 46 LYS HE2 H -6.786 5.958 11.739 1.00 . A A . 46 LYS HE2 1 1 17 20235 1 1 46 LYS HE3 H -5.079 6.451 11.808 1.00 . A A . 46 LYS HE3 1 1 17 20236 1 1 46 LYS HG2 H -6.204 3.274 11.537 1.00 . A A . 46 LYS HG2 1 1 17 20237 1 1 46 LYS HG3 H -4.698 4.034 12.084 1.00 . A A . 46 LYS HG3 1 1 17 20238 1 1 46 LYS HZ1 H -6.481 8.144 10.787 1.00 . A A . 46 LYS HZ1 1 1 17 20239 1 1 46 LYS HZ2 H -5.417 7.554 9.668 1.00 . A A . 46 LYS HZ2 1 1 17 20240 1 1 46 LYS HZ3 H -6.967 7.072 9.640 1.00 . A A . 46 LYS HZ3 1 1 17 20241 1 1 46 LYS N N -4.110 0.730 9.074 1.00 . A A . 46 LYS N 1 1 17 20242 1 1 46 LYS NZ N -6.202 7.331 10.262 1.00 . A A . 46 LYS NZ 1 1 17 20243 1 1 46 LYS O O -6.861 1.982 7.916 1.00 . A A . 46 LYS O 1 1 17 20244 1 1 47 ASP C C -4.398 4.176 5.527 1.00 . A A . 47 ASP C 1 1 17 20245 1 1 47 ASP CA C -5.527 4.086 6.541 1.00 . A A . 47 ASP CA 1 1 17 20246 1 1 47 ASP CB C -6.018 5.493 6.941 1.00 . A A . 47 ASP CB 1 1 17 20247 1 1 47 ASP CG C -7.456 5.545 7.441 1.00 . A A . 47 ASP CG 1 1 17 20248 1 1 47 ASP H H -4.039 3.297 7.828 1.00 . A A . 47 ASP H 1 1 17 20249 1 1 47 ASP HA H -6.349 3.584 6.044 1.00 . A A . 47 ASP HA 1 1 17 20250 1 1 47 ASP HB2 H -5.329 5.946 7.650 1.00 . A A . 47 ASP HB2 1 1 17 20251 1 1 47 ASP HB3 H -6.025 6.117 6.047 1.00 . A A . 47 ASP HB3 1 1 17 20252 1 1 47 ASP N N -5.043 3.296 7.668 1.00 . A A . 47 ASP N 1 1 17 20253 1 1 47 ASP O O -3.787 5.230 5.356 1.00 . A A . 47 ASP O 1 1 17 20254 1 1 47 ASP OD1 O -8.307 4.827 6.883 1.00 . A A . 47 ASP OD1 1 1 17 20255 1 1 47 ASP OD2 O -7.678 6.333 8.389 1.00 . A A . 47 ASP OD2 1 1 17 20256 1 1 48 ALA C C -3.586 1.812 2.861 1.00 . A A . 48 ALA C 1 1 17 20257 1 1 48 ALA CA C -3.307 3.081 3.656 1.00 . A A . 48 ALA CA 1 1 17 20258 1 1 48 ALA CB C -1.824 3.284 4.009 1.00 . A A . 48 ALA CB 1 1 17 20259 1 1 48 ALA H H -4.640 2.215 5.071 1.00 . A A . 48 ALA H 1 1 17 20260 1 1 48 ALA HA H -3.619 3.920 3.038 1.00 . A A . 48 ALA HA 1 1 17 20261 1 1 48 ALA HB1 H -1.202 3.063 3.141 1.00 . A A . 48 ALA HB1 1 1 17 20262 1 1 48 ALA HB2 H -1.649 4.322 4.294 1.00 . A A . 48 ALA HB2 1 1 17 20263 1 1 48 ALA HB3 H -1.529 2.657 4.846 1.00 . A A . 48 ALA HB3 1 1 17 20264 1 1 48 ALA N N -4.128 3.064 4.847 1.00 . A A . 48 ALA N 1 1 17 20265 1 1 48 ALA O O -4.560 1.742 2.111 1.00 . A A . 48 ALA O 1 1 17 20266 1 1 49 CYS C C -4.032 -1.201 2.568 1.00 . A A . 49 CYS C 1 1 17 20267 1 1 49 CYS CA C -2.805 -0.376 2.179 1.00 . A A . 49 CYS CA 1 1 17 20268 1 1 49 CYS CB C -1.532 -1.185 2.236 1.00 . A A . 49 CYS CB 1 1 17 20269 1 1 49 CYS H H -2.013 0.881 3.721 1.00 . A A . 49 CYS H 1 1 17 20270 1 1 49 CYS HA H -2.938 -0.046 1.151 1.00 . A A . 49 CYS HA 1 1 17 20271 1 1 49 CYS HB2 H -1.526 -1.726 3.173 1.00 . A A . 49 CYS HB2 1 1 17 20272 1 1 49 CYS HB3 H -1.531 -1.911 1.425 1.00 . A A . 49 CYS HB3 1 1 17 20273 1 1 49 CYS N N -2.736 0.800 3.024 1.00 . A A . 49 CYS N 1 1 17 20274 1 1 49 CYS O O -4.933 -1.418 1.758 1.00 . A A . 49 CYS O 1 1 17 20275 1 1 49 CYS SG S 0.020 -0.231 2.209 1.00 . A A . 49 CYS SG 1 1 17 20276 1 1 50 LYS C C -6.457 -1.773 4.588 1.00 . A A . 50 LYS C 1 1 17 20277 1 1 50 LYS CA C -5.191 -2.568 4.237 1.00 . A A . 50 LYS CA 1 1 17 20278 1 1 50 LYS CB C -4.676 -3.406 5.407 1.00 . A A . 50 LYS CB 1 1 17 20279 1 1 50 LYS CD C -5.252 -5.175 7.089 1.00 . A A . 50 LYS CD 1 1 17 20280 1 1 50 LYS CE C -6.311 -4.652 8.076 1.00 . A A . 50 LYS CE 1 1 17 20281 1 1 50 LYS CG C -5.477 -4.690 5.651 1.00 . A A . 50 LYS CG 1 1 17 20282 1 1 50 LYS H H -3.457 -1.347 4.514 1.00 . A A . 50 LYS H 1 1 17 20283 1 1 50 LYS HA H -5.430 -3.252 3.420 1.00 . A A . 50 LYS HA 1 1 17 20284 1 1 50 LYS HB2 H -3.635 -3.688 5.232 1.00 . A A . 50 LYS HB2 1 1 17 20285 1 1 50 LYS HB3 H -4.708 -2.764 6.275 1.00 . A A . 50 LYS HB3 1 1 17 20286 1 1 50 LYS HD2 H -5.301 -6.267 7.096 1.00 . A A . 50 LYS HD2 1 1 17 20287 1 1 50 LYS HD3 H -4.244 -4.900 7.408 1.00 . A A . 50 LYS HD3 1 1 17 20288 1 1 50 LYS HE2 H -7.259 -5.143 7.851 1.00 . A A . 50 LYS HE2 1 1 17 20289 1 1 50 LYS HE3 H -6.017 -4.935 9.090 1.00 . A A . 50 LYS HE3 1 1 17 20290 1 1 50 LYS HG2 H -6.541 -4.556 5.455 1.00 . A A . 50 LYS HG2 1 1 17 20291 1 1 50 LYS HG3 H -5.101 -5.447 4.957 1.00 . A A . 50 LYS HG3 1 1 17 20292 1 1 50 LYS HZ1 H -5.715 -2.662 8.362 1.00 . A A . 50 LYS HZ1 1 1 17 20293 1 1 50 LYS HZ2 H -6.712 -2.854 7.081 1.00 . A A . 50 LYS HZ2 1 1 17 20294 1 1 50 LYS HZ3 H -7.276 -2.907 8.622 1.00 . A A . 50 LYS HZ3 1 1 17 20295 1 1 50 LYS N N -4.126 -1.664 3.815 1.00 . A A . 50 LYS N 1 1 17 20296 1 1 50 LYS NZ N -6.516 -3.188 8.022 1.00 . A A . 50 LYS NZ 1 1 17 20297 1 1 50 LYS O O -7.056 -1.978 5.648 1.00 . A A . 50 LYS O 1 1 17 20298 1 1 51 THR C C -8.567 0.139 2.355 1.00 . A A . 51 THR C 1 1 17 20299 1 1 51 THR CA C -7.934 0.065 3.750 1.00 . A A . 51 THR CA 1 1 17 20300 1 1 51 THR CB C -7.370 1.429 4.195 1.00 . A A . 51 THR CB 1 1 17 20301 1 1 51 THR CG2 C -8.507 2.361 4.626 1.00 . A A . 51 THR CG2 1 1 17 20302 1 1 51 THR H H -6.287 -0.861 2.826 1.00 . A A . 51 THR H 1 1 17 20303 1 1 51 THR HA H -8.676 -0.274 4.471 1.00 . A A . 51 THR HA 1 1 17 20304 1 1 51 THR HB H -6.850 1.898 3.360 1.00 . A A . 51 THR HB 1 1 17 20305 1 1 51 THR HG1 H -6.852 1.429 6.093 1.00 . A A . 51 THR HG1 1 1 17 20306 1 1 51 THR HG21 H -8.941 2.029 5.570 1.00 . A A . 51 THR HG21 1 1 17 20307 1 1 51 THR HG22 H -8.131 3.376 4.747 1.00 . A A . 51 THR HG22 1 1 17 20308 1 1 51 THR HG23 H -9.287 2.386 3.865 1.00 . A A . 51 THR HG23 1 1 17 20309 1 1 51 THR N N -6.854 -0.900 3.662 1.00 . A A . 51 THR N 1 1 17 20310 1 1 51 THR O O -9.758 -0.125 2.178 1.00 . A A . 51 THR O 1 1 17 20311 1 1 51 THR OG1 O -6.422 1.268 5.239 1.00 . A A . 51 THR OG1 1 1 17 20312 1 1 52 CYS C C -8.725 -0.965 -0.434 1.00 . A A . 52 CYS C 1 1 17 20313 1 1 52 CYS CA C -8.211 0.416 -0.042 1.00 . A A . 52 CYS CA 1 1 17 20314 1 1 52 CYS CB C -7.103 0.811 -0.975 1.00 . A A . 52 CYS CB 1 1 17 20315 1 1 52 CYS H H -6.780 0.664 1.512 1.00 . A A . 52 CYS H 1 1 17 20316 1 1 52 CYS HA H -9.038 1.121 -0.140 1.00 . A A . 52 CYS HA 1 1 17 20317 1 1 52 CYS HB2 H -6.126 0.690 -0.504 1.00 . A A . 52 CYS HB2 1 1 17 20318 1 1 52 CYS HB3 H -7.139 0.153 -1.845 1.00 . A A . 52 CYS HB3 1 1 17 20319 1 1 52 CYS N N -7.750 0.429 1.337 1.00 . A A . 52 CYS N 1 1 17 20320 1 1 52 CYS O O -9.857 -1.095 -0.891 1.00 . A A . 52 CYS O 1 1 17 20321 1 1 52 CYS SG S -7.315 2.507 -1.576 1.00 . A A . 52 CYS SG 1 1 17 20322 1 1 53 HIS C C -9.489 -3.859 -0.092 1.00 . A A . 53 HIS C 1 1 17 20323 1 1 53 HIS CA C -8.261 -3.316 -0.836 1.00 . A A . 53 HIS CA 1 1 17 20324 1 1 53 HIS CB C -7.088 -4.307 -0.826 1.00 . A A . 53 HIS CB 1 1 17 20325 1 1 53 HIS CD2 C -5.229 -3.478 -2.425 1.00 . A A . 53 HIS CD2 1 1 17 20326 1 1 53 HIS CE1 C -3.992 -2.435 -0.971 1.00 . A A . 53 HIS CE1 1 1 17 20327 1 1 53 HIS CG C -5.763 -3.690 -1.182 1.00 . A A . 53 HIS CG 1 1 17 20328 1 1 53 HIS H H -6.943 -1.819 -0.026 1.00 . A A . 53 HIS H 1 1 17 20329 1 1 53 HIS HA H -8.523 -3.170 -1.883 1.00 . A A . 53 HIS HA 1 1 17 20330 1 1 53 HIS HB2 H -7.000 -4.759 0.161 1.00 . A A . 53 HIS HB2 1 1 17 20331 1 1 53 HIS HB3 H -7.305 -5.109 -1.534 1.00 . A A . 53 HIS HB3 1 1 17 20332 1 1 53 HIS HD1 H -5.149 -2.803 0.689 1.00 . A A . 53 HIS HD1 1 1 17 20333 1 1 53 HIS HD2 H -5.617 -3.796 -3.376 1.00 . A A . 53 HIS HD2 1 1 17 20334 1 1 53 HIS HE1 H -3.249 -1.801 -0.538 1.00 . A A . 53 HIS HE1 1 1 17 20335 1 1 53 HIS N N -7.894 -2.001 -0.313 1.00 . A A . 53 HIS N 1 1 17 20336 1 1 53 HIS ND1 N -4.973 -3.026 -0.285 1.00 . A A . 53 HIS ND1 1 1 17 20337 1 1 53 HIS NE2 N -4.091 -2.680 -2.275 1.00 . A A . 53 HIS NE2 1 1 17 20338 1 1 53 HIS O O -10.298 -4.582 -0.674 1.00 . A A . 53 HIS O 1 1 17 20339 1 1 54 LYS C C -12.062 -3.113 1.127 1.00 . A A . 54 LYS C 1 1 17 20340 1 1 54 LYS CA C -10.892 -3.712 1.906 1.00 . A A . 54 LYS CA 1 1 17 20341 1 1 54 LYS CB C -10.876 -3.108 3.304 1.00 . A A . 54 LYS CB 1 1 17 20342 1 1 54 LYS CD C -9.989 -3.178 5.618 1.00 . A A . 54 LYS CD 1 1 17 20343 1 1 54 LYS CE C -11.250 -3.595 6.399 1.00 . A A . 54 LYS CE 1 1 17 20344 1 1 54 LYS CG C -9.870 -3.798 4.226 1.00 . A A . 54 LYS CG 1 1 17 20345 1 1 54 LYS H H -8.973 -2.846 1.582 1.00 . A A . 54 LYS H 1 1 17 20346 1 1 54 LYS HA H -11.017 -4.775 2.071 1.00 . A A . 54 LYS HA 1 1 17 20347 1 1 54 LYS HB2 H -10.667 -2.044 3.258 1.00 . A A . 54 LYS HB2 1 1 17 20348 1 1 54 LYS HB3 H -11.884 -3.231 3.694 1.00 . A A . 54 LYS HB3 1 1 17 20349 1 1 54 LYS HD2 H -9.105 -3.480 6.171 1.00 . A A . 54 LYS HD2 1 1 17 20350 1 1 54 LYS HD3 H -9.969 -2.102 5.461 1.00 . A A . 54 LYS HD3 1 1 17 20351 1 1 54 LYS HE2 H -12.132 -3.591 5.759 1.00 . A A . 54 LYS HE2 1 1 17 20352 1 1 54 LYS HE3 H -11.118 -4.613 6.774 1.00 . A A . 54 LYS HE3 1 1 17 20353 1 1 54 LYS HG2 H -10.033 -4.872 4.265 1.00 . A A . 54 LYS HG2 1 1 17 20354 1 1 54 LYS HG3 H -8.866 -3.615 3.840 1.00 . A A . 54 LYS HG3 1 1 17 20355 1 1 54 LYS HZ1 H -11.705 -1.746 7.181 1.00 . A A . 54 LYS HZ1 1 1 17 20356 1 1 54 LYS HZ2 H -12.368 -2.992 8.014 1.00 . A A . 54 LYS HZ2 1 1 17 20357 1 1 54 LYS HZ3 H -10.769 -2.659 8.181 1.00 . A A . 54 LYS HZ3 1 1 17 20358 1 1 54 LYS N N -9.649 -3.480 1.184 1.00 . A A . 54 LYS N 1 1 17 20359 1 1 54 LYS NZ N -11.537 -2.682 7.526 1.00 . A A . 54 LYS NZ 1 1 17 20360 1 1 54 LYS O O -13.027 -3.800 0.818 1.00 . A A . 54 LYS O 1 1 17 20361 1 1 55 SER C C -13.276 -1.675 -1.253 1.00 . A A . 55 SER C 1 1 17 20362 1 1 55 SER CA C -13.003 -1.075 0.131 1.00 . A A . 55 SER CA 1 1 17 20363 1 1 55 SER CB C -12.602 0.401 0.032 1.00 . A A . 55 SER CB 1 1 17 20364 1 1 55 SER H H -11.113 -1.321 1.072 1.00 . A A . 55 SER H 1 1 17 20365 1 1 55 SER HA H -13.920 -1.138 0.719 1.00 . A A . 55 SER HA 1 1 17 20366 1 1 55 SER HB2 H -11.780 0.529 -0.673 1.00 . A A . 55 SER HB2 1 1 17 20367 1 1 55 SER HB3 H -13.458 0.970 -0.333 1.00 . A A . 55 SER HB3 1 1 17 20368 1 1 55 SER HG H -11.363 0.532 1.560 1.00 . A A . 55 SER HG 1 1 17 20369 1 1 55 SER N N -11.965 -1.815 0.832 1.00 . A A . 55 SER N 1 1 17 20370 1 1 55 SER O O -14.422 -1.745 -1.682 1.00 . A A . 55 SER O 1 1 17 20371 1 1 55 SER OG O -12.221 0.898 1.305 1.00 . A A . 55 SER OG 1 1 17 20372 1 1 56 ASN C C -13.047 -4.070 -3.157 1.00 . A A . 56 ASN C 1 1 17 20373 1 1 56 ASN CA C -12.332 -2.722 -3.267 1.00 . A A . 56 ASN CA 1 1 17 20374 1 1 56 ASN CB C -10.960 -2.900 -3.933 1.00 . A A . 56 ASN CB 1 1 17 20375 1 1 56 ASN CG C -10.390 -1.605 -4.514 1.00 . A A . 56 ASN CG 1 1 17 20376 1 1 56 ASN H H -11.302 -1.977 -1.536 1.00 . A A . 56 ASN H 1 1 17 20377 1 1 56 ASN HA H -12.937 -2.080 -3.911 1.00 . A A . 56 ASN HA 1 1 17 20378 1 1 56 ASN HB2 H -10.259 -3.350 -3.235 1.00 . A A . 56 ASN HB2 1 1 17 20379 1 1 56 ASN HB3 H -11.080 -3.591 -4.769 1.00 . A A . 56 ASN HB3 1 1 17 20380 1 1 56 ASN HD21 H -9.798 -0.902 -2.687 1.00 . A A . 56 ASN HD21 1 1 17 20381 1 1 56 ASN HD22 H -9.470 0.130 -4.065 1.00 . A A . 56 ASN HD22 1 1 17 20382 1 1 56 ASN N N -12.218 -2.094 -1.954 1.00 . A A . 56 ASN N 1 1 17 20383 1 1 56 ASN ND2 N -9.829 -0.730 -3.684 1.00 . A A . 56 ASN ND2 1 1 17 20384 1 1 56 ASN O O -13.869 -4.391 -4.012 1.00 . A A . 56 ASN O 1 1 17 20385 1 1 56 ASN OD1 O -10.437 -1.386 -5.719 1.00 . A A . 56 ASN OD1 1 1 17 20386 1 1 57 ASN C C -13.462 -6.521 -0.466 1.00 . A A . 57 ASN C 1 1 17 20387 1 1 57 ASN CA C -13.314 -6.197 -1.956 1.00 . A A . 57 ASN CA 1 1 17 20388 1 1 57 ASN CB C -12.490 -7.247 -2.720 1.00 . A A . 57 ASN CB 1 1 17 20389 1 1 57 ASN CG C -13.094 -8.651 -2.668 1.00 . A A . 57 ASN CG 1 1 17 20390 1 1 57 ASN H H -12.022 -4.572 -1.466 1.00 . A A . 57 ASN H 1 1 17 20391 1 1 57 ASN HA H -14.323 -6.199 -2.374 1.00 . A A . 57 ASN HA 1 1 17 20392 1 1 57 ASN HB2 H -12.439 -6.936 -3.765 1.00 . A A . 57 ASN HB2 1 1 17 20393 1 1 57 ASN HB3 H -11.473 -7.287 -2.330 1.00 . A A . 57 ASN HB3 1 1 17 20394 1 1 57 ASN HD21 H -12.307 -9.133 -4.487 1.00 . A A . 57 ASN HD21 1 1 17 20395 1 1 57 ASN HD22 H -13.252 -10.380 -3.690 1.00 . A A . 57 ASN HD22 1 1 17 20396 1 1 57 ASN N N -12.716 -4.878 -2.141 1.00 . A A . 57 ASN N 1 1 17 20397 1 1 57 ASN ND2 N -12.857 -9.452 -3.703 1.00 . A A . 57 ASN ND2 1 1 17 20398 1 1 57 ASN O O -14.572 -6.499 0.062 1.00 . A A . 57 ASN O 1 1 17 20399 1 1 57 ASN OD1 O -13.762 -9.033 -1.714 1.00 . A A . 57 ASN OD1 1 1 17 20400 1 1 58 GLY C C -11.112 -8.025 1.966 1.00 . A A . 58 GLY C 1 1 17 20401 1 1 58 GLY CA C -12.403 -7.292 1.596 1.00 . A A . 58 GLY CA 1 1 17 20402 1 1 58 GLY H H -11.460 -6.847 -0.249 1.00 . A A . 58 GLY H 1 1 17 20403 1 1 58 GLY HA2 H -12.568 -6.425 2.233 1.00 . A A . 58 GLY HA2 1 1 17 20404 1 1 58 GLY HA3 H -13.233 -7.988 1.731 1.00 . A A . 58 GLY HA3 1 1 17 20405 1 1 58 GLY N N -12.358 -6.845 0.213 1.00 . A A . 58 GLY N 1 1 17 20406 1 1 58 GLY O O -10.404 -8.498 1.078 1.00 . A A . 58 GLY O 1 1 17 20407 1 1 59 PRO C C -10.250 -10.430 3.736 1.00 . A A . 59 PRO C 1 1 17 20408 1 1 59 PRO CA C -9.725 -8.994 3.751 1.00 . A A . 59 PRO CA 1 1 17 20409 1 1 59 PRO CB C -9.461 -8.506 5.176 1.00 . A A . 59 PRO CB 1 1 17 20410 1 1 59 PRO CD C -11.550 -7.582 4.378 1.00 . A A . 59 PRO CD 1 1 17 20411 1 1 59 PRO CG C -10.853 -8.074 5.652 1.00 . A A . 59 PRO CG 1 1 17 20412 1 1 59 PRO HA H -8.823 -8.925 3.138 1.00 . A A . 59 PRO HA 1 1 17 20413 1 1 59 PRO HB2 H -9.028 -9.283 5.810 1.00 . A A . 59 PRO HB2 1 1 17 20414 1 1 59 PRO HB3 H -8.803 -7.638 5.141 1.00 . A A . 59 PRO HB3 1 1 17 20415 1 1 59 PRO HD2 H -12.581 -7.941 4.358 1.00 . A A . 59 PRO HD2 1 1 17 20416 1 1 59 PRO HD3 H -11.544 -6.495 4.345 1.00 . A A . 59 PRO HD3 1 1 17 20417 1 1 59 PRO HG2 H -11.386 -8.944 6.038 1.00 . A A . 59 PRO HG2 1 1 17 20418 1 1 59 PRO HG3 H -10.801 -7.303 6.421 1.00 . A A . 59 PRO HG3 1 1 17 20419 1 1 59 PRO N N -10.787 -8.127 3.265 1.00 . A A . 59 PRO N 1 1 17 20420 1 1 59 PRO O O -11.447 -10.640 3.936 1.00 . A A . 59 PRO O 1 1 17 20421 1 1 60 THR C C -8.645 -13.659 3.675 1.00 . A A . 60 THR C 1 1 17 20422 1 1 60 THR CA C -9.848 -12.798 3.332 1.00 . A A . 60 THR CA 1 1 17 20423 1 1 60 THR CB C -10.326 -13.043 1.883 1.00 . A A . 60 THR CB 1 1 17 20424 1 1 60 THR CG2 C -11.708 -12.459 1.573 1.00 . A A . 60 THR CG2 1 1 17 20425 1 1 60 THR H H -8.382 -11.275 3.443 1.00 . A A . 60 THR H 1 1 17 20426 1 1 60 THR HA H -10.649 -13.035 4.036 1.00 . A A . 60 THR HA 1 1 17 20427 1 1 60 THR HB H -10.384 -14.123 1.726 1.00 . A A . 60 THR HB 1 1 17 20428 1 1 60 THR HG1 H -9.524 -11.533 0.949 1.00 . A A . 60 THR HG1 1 1 17 20429 1 1 60 THR HG21 H -11.673 -11.372 1.525 1.00 . A A . 60 THR HG21 1 1 17 20430 1 1 60 THR HG22 H -12.048 -12.832 0.606 1.00 . A A . 60 THR HG22 1 1 17 20431 1 1 60 THR HG23 H -12.424 -12.762 2.338 1.00 . A A . 60 THR HG23 1 1 17 20432 1 1 60 THR N N -9.392 -11.423 3.487 1.00 . A A . 60 THR N 1 1 17 20433 1 1 60 THR O O -8.544 -14.233 4.756 1.00 . A A . 60 THR O 1 1 17 20434 1 1 60 THR OG1 O -9.401 -12.488 0.960 1.00 . A A . 60 THR OG1 1 1 17 20435 1 1 61 LYS C C -5.613 -12.649 3.485 1.00 . A A . 61 LYS C 1 1 17 20436 1 1 61 LYS CA C -6.302 -13.939 3.022 1.00 . A A . 61 LYS CA 1 1 17 20437 1 1 61 LYS CB C -5.647 -14.509 1.748 1.00 . A A . 61 LYS CB 1 1 17 20438 1 1 61 LYS CD C -4.859 -13.870 -0.607 1.00 . A A . 61 LYS CD 1 1 17 20439 1 1 61 LYS CE C -5.067 -12.840 -1.736 1.00 . A A . 61 LYS CE 1 1 17 20440 1 1 61 LYS CG C -5.894 -13.633 0.505 1.00 . A A . 61 LYS CG 1 1 17 20441 1 1 61 LYS H H -7.899 -13.085 1.929 1.00 . A A . 61 LYS H 1 1 17 20442 1 1 61 LYS HA H -6.231 -14.691 3.810 1.00 . A A . 61 LYS HA 1 1 17 20443 1 1 61 LYS HB2 H -4.575 -14.600 1.932 1.00 . A A . 61 LYS HB2 1 1 17 20444 1 1 61 LYS HB3 H -6.043 -15.508 1.558 1.00 . A A . 61 LYS HB3 1 1 17 20445 1 1 61 LYS HD2 H -3.866 -13.741 -0.172 1.00 . A A . 61 LYS HD2 1 1 17 20446 1 1 61 LYS HD3 H -4.951 -14.889 -0.986 1.00 . A A . 61 LYS HD3 1 1 17 20447 1 1 61 LYS HE2 H -5.972 -13.084 -2.295 1.00 . A A . 61 LYS HE2 1 1 17 20448 1 1 61 LYS HE3 H -5.196 -11.850 -1.296 1.00 . A A . 61 LYS HE3 1 1 17 20449 1 1 61 LYS HG2 H -6.899 -13.825 0.120 1.00 . A A . 61 LYS HG2 1 1 17 20450 1 1 61 LYS HG3 H -5.829 -12.584 0.794 1.00 . A A . 61 LYS HG3 1 1 17 20451 1 1 61 LYS HZ1 H -3.052 -12.612 -2.169 1.00 . A A . 61 LYS HZ1 1 1 17 20452 1 1 61 LYS HZ2 H -3.848 -13.543 -3.279 1.00 . A A . 61 LYS HZ2 1 1 17 20453 1 1 61 LYS HZ3 H -3.997 -11.903 -3.243 1.00 . A A . 61 LYS HZ3 1 1 17 20454 1 1 61 LYS N N -7.686 -13.632 2.756 1.00 . A A . 61 LYS N 1 1 17 20455 1 1 61 LYS NZ N -3.919 -12.746 -2.666 1.00 . A A . 61 LYS NZ 1 1 17 20456 1 1 61 LYS O O -6.012 -11.547 3.100 1.00 . A A . 61 LYS O 1 1 17 20457 1 1 62 CYS C C -2.672 -12.144 2.899 1.00 . A A . 62 CYS C 1 1 17 20458 1 1 62 CYS CA C -3.370 -11.964 4.262 1.00 . A A . 62 CYS CA 1 1 17 20459 1 1 62 CYS CB C -2.450 -12.344 5.408 1.00 . A A . 62 CYS CB 1 1 17 20460 1 1 62 CYS H H -4.512 -13.677 4.778 1.00 . A A . 62 CYS H 1 1 17 20461 1 1 62 CYS HA H -3.683 -10.927 4.352 1.00 . A A . 62 CYS HA 1 1 17 20462 1 1 62 CYS HB2 H -2.059 -13.346 5.229 1.00 . A A . 62 CYS HB2 1 1 17 20463 1 1 62 CYS HB3 H -1.616 -11.644 5.462 1.00 . A A . 62 CYS HB3 1 1 17 20464 1 1 62 CYS N N -4.561 -12.807 4.287 1.00 . A A . 62 CYS N 1 1 17 20465 1 1 62 CYS O O -3.336 -12.215 1.866 1.00 . A A . 62 CYS O 1 1 17 20466 1 1 62 CYS SG S -3.262 -12.381 7.026 1.00 . A A . 62 CYS SG 1 1 17 20467 1 1 63 GLY C C -0.423 -11.686 0.604 1.00 . A A . 63 GLY C 1 1 17 20468 1 1 63 GLY CA C -0.616 -12.744 1.689 1.00 . A A . 63 GLY CA 1 1 17 20469 1 1 63 GLY H H -0.803 -12.105 3.697 1.00 . A A . 63 GLY H 1 1 17 20470 1 1 63 GLY HA2 H 0.362 -13.097 2.017 1.00 . A A . 63 GLY HA2 1 1 17 20471 1 1 63 GLY HA3 H -1.152 -13.592 1.259 1.00 . A A . 63 GLY HA3 1 1 17 20472 1 1 63 GLY N N -1.339 -12.242 2.854 1.00 . A A . 63 GLY N 1 1 17 20473 1 1 63 GLY O O 0.660 -11.575 0.042 1.00 . A A . 63 GLY O 1 1 17 20474 1 1 64 GLY C C -0.176 -9.114 -0.817 1.00 . A A . 64 GLY C 1 1 17 20475 1 1 64 GLY CA C -1.510 -9.849 -0.677 1.00 . A A . 64 GLY CA 1 1 17 20476 1 1 64 GLY H H -2.347 -11.143 0.780 1.00 . A A . 64 GLY H 1 1 17 20477 1 1 64 GLY HA2 H -1.809 -10.258 -1.640 1.00 . A A . 64 GLY HA2 1 1 17 20478 1 1 64 GLY HA3 H -2.265 -9.135 -0.339 1.00 . A A . 64 GLY HA3 1 1 17 20479 1 1 64 GLY N N -1.477 -10.919 0.309 1.00 . A A . 64 GLY N 1 1 17 20480 1 1 64 GLY O O 0.448 -9.121 -1.873 1.00 . A A . 64 GLY O 1 1 17 20481 1 1 65 CYS C C 2.607 -8.125 0.840 1.00 . A A . 65 CYS C 1 1 17 20482 1 1 65 CYS CA C 1.330 -7.500 0.281 1.00 . A A . 65 CYS CA 1 1 17 20483 1 1 65 CYS CB C 0.884 -6.316 1.096 1.00 . A A . 65 CYS CB 1 1 17 20484 1 1 65 CYS H H -0.358 -8.493 1.079 1.00 . A A . 65 CYS H 1 1 17 20485 1 1 65 CYS HA H 1.536 -7.159 -0.732 1.00 . A A . 65 CYS HA 1 1 17 20486 1 1 65 CYS HB2 H 0.884 -6.612 2.144 1.00 . A A . 65 CYS HB2 1 1 17 20487 1 1 65 CYS HB3 H 1.569 -5.478 0.966 1.00 . A A . 65 CYS HB3 1 1 17 20488 1 1 65 CYS N N 0.240 -8.468 0.270 1.00 . A A . 65 CYS N 1 1 17 20489 1 1 65 CYS O O 3.710 -7.813 0.383 1.00 . A A . 65 CYS O 1 1 17 20490 1 1 65 CYS SG S -0.800 -5.854 0.568 1.00 . A A . 65 CYS SG 1 1 17 20491 1 1 66 HIS C C 3.694 -11.062 1.770 1.00 . A A . 66 HIS C 1 1 17 20492 1 1 66 HIS CA C 3.488 -9.739 2.502 1.00 . A A . 66 HIS CA 1 1 17 20493 1 1 66 HIS CB C 3.096 -10.026 3.959 1.00 . A A . 66 HIS CB 1 1 17 20494 1 1 66 HIS CD2 C 1.627 -8.530 5.434 1.00 . A A . 66 HIS CD2 1 1 17 20495 1 1 66 HIS CE1 C 3.085 -7.015 6.012 1.00 . A A . 66 HIS CE1 1 1 17 20496 1 1 66 HIS CG C 2.806 -8.812 4.798 1.00 . A A . 66 HIS CG 1 1 17 20497 1 1 66 HIS H H 1.487 -9.215 2.105 1.00 . A A . 66 HIS H 1 1 17 20498 1 1 66 HIS HA H 4.410 -9.165 2.479 1.00 . A A . 66 HIS HA 1 1 17 20499 1 1 66 HIS HB2 H 2.226 -10.684 3.970 1.00 . A A . 66 HIS HB2 1 1 17 20500 1 1 66 HIS HB3 H 3.918 -10.570 4.422 1.00 . A A . 66 HIS HB3 1 1 17 20501 1 1 66 HIS HD1 H 4.636 -7.689 4.751 1.00 . A A . 66 HIS HD1 1 1 17 20502 1 1 66 HIS HD2 H 0.697 -9.063 5.393 1.00 . A A . 66 HIS HD2 1 1 17 20503 1 1 66 HIS HE1 H 3.542 -6.150 6.459 1.00 . A A . 66 HIS HE1 1 1 17 20504 1 1 66 HIS N N 2.432 -8.996 1.841 1.00 . A A . 66 HIS N 1 1 17 20505 1 1 66 HIS ND1 N 3.714 -7.849 5.162 1.00 . A A . 66 HIS ND1 1 1 17 20506 1 1 66 HIS NE2 N 1.801 -7.376 6.187 1.00 . A A . 66 HIS NE2 1 1 17 20507 1 1 66 HIS O O 2.848 -11.948 1.871 1.00 . A A . 66 HIS O 1 1 17 20508 1 1 67 ILE C C 5.579 -13.539 1.198 1.00 . A A . 67 ILE C 1 1 17 20509 1 1 67 ILE CA C 5.125 -12.395 0.280 1.00 . A A . 67 ILE CA 1 1 17 20510 1 1 67 ILE CB C 6.150 -12.016 -0.810 1.00 . A A . 67 ILE CB 1 1 17 20511 1 1 67 ILE CD1 C 4.356 -10.868 -2.280 1.00 . A A . 67 ILE CD1 1 1 17 20512 1 1 67 ILE CG1 C 5.726 -10.757 -1.598 1.00 . A A . 67 ILE CG1 1 1 17 20513 1 1 67 ILE CG2 C 6.402 -13.178 -1.786 1.00 . A A . 67 ILE CG2 1 1 17 20514 1 1 67 ILE H H 5.545 -10.514 1.168 1.00 . A A . 67 ILE H 1 1 17 20515 1 1 67 ILE HA H 4.214 -12.729 -0.220 1.00 . A A . 67 ILE HA 1 1 17 20516 1 1 67 ILE HB H 7.099 -11.777 -0.325 1.00 . A A . 67 ILE HB 1 1 17 20517 1 1 67 ILE HD11 H 4.332 -11.715 -2.964 1.00 . A A . 67 ILE HD11 1 1 17 20518 1 1 67 ILE HD12 H 3.563 -10.971 -1.540 1.00 . A A . 67 ILE HD12 1 1 17 20519 1 1 67 ILE HD13 H 4.172 -9.959 -2.851 1.00 . A A . 67 ILE HD13 1 1 17 20520 1 1 67 ILE HG12 H 5.704 -9.891 -0.934 1.00 . A A . 67 ILE HG12 1 1 17 20521 1 1 67 ILE HG13 H 6.475 -10.557 -2.365 1.00 . A A . 67 ILE HG13 1 1 17 20522 1 1 67 ILE HG21 H 5.462 -13.545 -2.198 1.00 . A A . 67 ILE HG21 1 1 17 20523 1 1 67 ILE HG22 H 7.045 -12.844 -2.599 1.00 . A A . 67 ILE HG22 1 1 17 20524 1 1 67 ILE HG23 H 6.904 -14.004 -1.283 1.00 . A A . 67 ILE HG23 1 1 17 20525 1 1 67 ILE N N 4.821 -11.221 1.082 1.00 . A A . 67 ILE N 1 1 17 20526 1 1 67 ILE O O 6.739 -13.946 1.179 1.00 . A A . 67 ILE O 1 1 17 20527 1 1 68 LYS C C 3.367 -15.463 3.417 1.00 . A A . 68 LYS C 1 1 17 20528 1 1 68 LYS CA C 4.761 -15.235 2.839 1.00 . A A . 68 LYS CA 1 1 17 20529 1 1 68 LYS CB C 5.814 -15.028 3.943 1.00 . A A . 68 LYS CB 1 1 17 20530 1 1 68 LYS CD C 5.029 -16.852 5.728 1.00 . A A . 68 LYS CD 1 1 17 20531 1 1 68 LYS CE C 4.646 -16.018 6.960 1.00 . A A . 68 LYS CE 1 1 17 20532 1 1 68 LYS CG C 6.132 -16.252 4.829 1.00 . A A . 68 LYS CG 1 1 17 20533 1 1 68 LYS H H 3.732 -13.601 2.004 1.00 . A A . 68 LYS H 1 1 17 20534 1 1 68 LYS HA H 5.047 -16.084 2.216 1.00 . A A . 68 LYS HA 1 1 17 20535 1 1 68 LYS HB2 H 6.761 -14.771 3.473 1.00 . A A . 68 LYS HB2 1 1 17 20536 1 1 68 LYS HB3 H 5.516 -14.162 4.521 1.00 . A A . 68 LYS HB3 1 1 17 20537 1 1 68 LYS HD2 H 4.141 -17.096 5.145 1.00 . A A . 68 LYS HD2 1 1 17 20538 1 1 68 LYS HD3 H 5.409 -17.805 6.103 1.00 . A A . 68 LYS HD3 1 1 17 20539 1 1 68 LYS HE2 H 3.821 -16.525 7.464 1.00 . A A . 68 LYS HE2 1 1 17 20540 1 1 68 LYS HE3 H 5.492 -15.962 7.649 1.00 . A A . 68 LYS HE3 1 1 17 20541 1 1 68 LYS HG2 H 6.461 -17.043 4.154 1.00 . A A . 68 LYS HG2 1 1 17 20542 1 1 68 LYS HG3 H 6.983 -15.992 5.463 1.00 . A A . 68 LYS HG3 1 1 17 20543 1 1 68 LYS HZ1 H 3.716 -14.220 7.371 1.00 . A A . 68 LYS HZ1 1 1 17 20544 1 1 68 LYS HZ2 H 5.037 -14.093 6.392 1.00 . A A . 68 LYS HZ2 1 1 17 20545 1 1 68 LYS HZ3 H 3.618 -14.674 5.790 1.00 . A A . 68 LYS HZ3 1 1 17 20546 1 1 68 LYS N N 4.645 -14.048 2.005 1.00 . A A . 68 LYS N 1 1 17 20547 1 1 68 LYS NZ N 4.218 -14.653 6.613 1.00 . A A . 68 LYS NZ 1 1 17 20548 1 1 68 LYS O O 2.978 -14.655 4.293 1.00 . A A . 68 LYS O 1 1 17 20549 1 1 68 LYS OXT O 2.726 -16.453 3.012 1.00 . A A . 68 LYS OXT 1 1 17 20550 2 2 1 HEC C1A C 7.523 7.823 -2.889 1.00 . B A . 69 HEC C1A 1 1 17 20551 2 2 1 HEC C1B C 5.363 8.817 -6.447 1.00 . B A . 69 HEC C1B 1 1 17 20552 2 2 1 HEC C1C C 2.364 5.960 -5.442 1.00 . B A . 69 HEC C1C 1 1 17 20553 2 2 1 HEC C1D C 4.404 5.203 -1.794 1.00 . B A . 69 HEC C1D 1 1 17 20554 2 2 1 HEC C2A C 8.605 8.754 -3.102 1.00 . B A . 69 HEC C2A 1 1 17 20555 2 2 1 HEC C2B C 4.750 9.275 -7.673 1.00 . B A . 69 HEC C2B 1 1 17 20556 2 2 1 HEC C2C C 1.169 5.208 -5.144 1.00 . B A . 69 HEC C2C 1 1 17 20557 2 2 1 HEC C2D C 5.006 4.688 -0.598 1.00 . B A . 69 HEC C2D 1 1 17 20558 2 2 1 HEC C3A C 8.328 9.442 -4.254 1.00 . B A . 69 HEC C3A 1 1 17 20559 2 2 1 HEC C3B C 3.630 8.505 -7.882 1.00 . B A . 69 HEC C3B 1 1 17 20560 2 2 1 HEC C3C C 1.296 4.749 -3.850 1.00 . B A . 69 HEC C3C 1 1 17 20561 2 2 1 HEC C3D C 6.206 5.343 -0.437 1.00 . B A . 69 HEC C3D 1 1 17 20562 2 2 1 HEC C4A C 7.087 8.913 -4.770 1.00 . B A . 69 HEC C4A 1 1 17 20563 2 2 1 HEC C4B C 3.591 7.523 -6.816 1.00 . B A . 69 HEC C4B 1 1 17 20564 2 2 1 HEC C4C C 2.611 5.152 -3.390 1.00 . B A . 69 HEC C4C 1 1 17 20565 2 2 1 HEC C4D C 6.359 6.179 -1.601 1.00 . B A . 69 HEC C4D 1 1 17 20566 2 2 1 HEC CAA C 9.813 8.918 -2.217 1.00 . B A . 69 HEC CAA 1 1 17 20567 2 2 1 HEC CAB C 2.457 8.891 -8.765 1.00 . B A . 69 HEC CAB 1 1 17 20568 2 2 1 HEC CAC C 0.208 4.087 -3.015 1.00 . B A . 69 HEC CAC 1 1 17 20569 2 2 1 HEC CAD C 7.157 5.334 0.746 1.00 . B A . 69 HEC CAD 1 1 17 20570 2 2 1 HEC CBA C 10.757 7.707 -2.274 1.00 . B A . 69 HEC CBA 1 1 17 20571 2 2 1 HEC CBB C 2.792 9.259 -10.217 1.00 . B A . 69 HEC CBB 1 1 17 20572 2 2 1 HEC CBC C -0.190 2.686 -3.481 1.00 . B A . 69 HEC CBC 1 1 17 20573 2 2 1 HEC CBD C 6.687 4.564 1.976 1.00 . B A . 69 HEC CBD 1 1 17 20574 2 2 1 HEC CGA C 11.564 7.544 -0.985 1.00 . B A . 69 HEC CGA 1 1 17 20575 2 2 1 HEC CGD C 7.342 5.047 3.252 1.00 . B A . 69 HEC CGD 1 1 17 20576 2 2 1 HEC CHA C 7.419 7.020 -1.776 1.00 . B A . 69 HEC CHA 1 1 17 20577 2 2 1 HEC CHB C 6.488 9.391 -5.903 1.00 . B A . 69 HEC CHB 1 1 17 20578 2 2 1 HEC CHC C 2.537 6.653 -6.616 1.00 . B A . 69 HEC CHC 1 1 17 20579 2 2 1 HEC CHD C 3.148 4.831 -2.157 1.00 . B A . 69 HEC CHD 1 1 17 20580 2 2 1 HEC CMA C 9.181 10.526 -4.874 1.00 . B A . 69 HEC CMA 1 1 17 20581 2 2 1 HEC CMB C 5.197 10.433 -8.543 1.00 . B A . 69 HEC CMB 1 1 17 20582 2 2 1 HEC CMC C -0.036 5.099 -6.060 1.00 . B A . 69 HEC CMC 1 1 17 20583 2 2 1 HEC CMD C 4.359 3.607 0.232 1.00 . B A . 69 HEC CMD 1 1 17 20584 2 2 1 HEC FE FE 4.962 6.865 -4.213 1.00 . B A . 69 HEC FE 1 1 17 20585 2 2 1 HEC HAA1 H 10.384 9.813 -2.456 1.00 . B A . 69 HEC HAA1 1 1 17 20586 2 2 1 HEC HAA2 H 9.447 9.051 -1.207 1.00 . B A . 69 HEC HAA2 1 1 17 20587 2 2 1 HEC HAB H 1.764 8.060 -8.837 1.00 . B A . 69 HEC HAB 1 1 17 20588 2 2 1 HEC HAC H 0.529 4.009 -1.980 1.00 . B A . 69 HEC HAC 1 1 17 20589 2 2 1 HEC HAD1 H 8.129 4.944 0.447 1.00 . B A . 69 HEC HAD1 1 1 17 20590 2 2 1 HEC HAD2 H 7.299 6.363 1.066 1.00 . B A . 69 HEC HAD2 1 1 17 20591 2 2 1 HEC HBA1 H 10.168 6.800 -2.420 1.00 . B A . 69 HEC HBA1 1 1 17 20592 2 2 1 HEC HBA2 H 11.427 7.815 -3.128 1.00 . B A . 69 HEC HBA2 1 1 17 20593 2 2 1 HEC HBB1 H 1.886 9.205 -10.822 1.00 . B A . 69 HEC HBB1 1 1 17 20594 2 2 1 HEC HBB2 H 3.182 10.272 -10.290 1.00 . B A . 69 HEC HBB2 1 1 17 20595 2 2 1 HEC HBB3 H 3.516 8.552 -10.625 1.00 . B A . 69 HEC HBB3 1 1 17 20596 2 2 1 HEC HBC1 H 0.591 1.963 -3.246 1.00 . B A . 69 HEC HBC1 1 1 17 20597 2 2 1 HEC HBC2 H -1.118 2.399 -2.983 1.00 . B A . 69 HEC HBC2 1 1 17 20598 2 2 1 HEC HBC3 H -0.363 2.677 -4.552 1.00 . B A . 69 HEC HBC3 1 1 17 20599 2 2 1 HEC HBD1 H 5.621 4.751 2.108 1.00 . B A . 69 HEC HBD1 1 1 17 20600 2 2 1 HEC HBD2 H 6.890 3.502 1.872 1.00 . B A . 69 HEC HBD2 1 1 17 20601 2 2 1 HEC HHA H 8.144 7.079 -0.981 1.00 . B A . 69 HEC HHA 1 1 17 20602 2 2 1 HEC HHB H 6.893 10.282 -6.334 1.00 . B A . 69 HEC HHB 1 1 17 20603 2 2 1 HEC HHC H 1.745 6.599 -7.338 1.00 . B A . 69 HEC HHC 1 1 17 20604 2 2 1 HEC HHD H 2.607 4.307 -1.385 1.00 . B A . 69 HEC HHD 1 1 17 20605 2 2 1 HEC HMA1 H 10.227 10.375 -4.614 1.00 . B A . 69 HEC HMA1 1 1 17 20606 2 2 1 HEC HMA2 H 9.107 10.500 -5.960 1.00 . B A . 69 HEC HMA2 1 1 17 20607 2 2 1 HEC HMA3 H 8.856 11.499 -4.506 1.00 . B A . 69 HEC HMA3 1 1 17 20608 2 2 1 HEC HMB1 H 5.366 10.076 -9.557 1.00 . B A . 69 HEC HMB1 1 1 17 20609 2 2 1 HEC HMB2 H 4.412 11.188 -8.544 1.00 . B A . 69 HEC HMB2 1 1 17 20610 2 2 1 HEC HMB3 H 6.113 10.901 -8.196 1.00 . B A . 69 HEC HMB3 1 1 17 20611 2 2 1 HEC HMC1 H 0.259 4.631 -6.997 1.00 . B A . 69 HEC HMC1 1 1 17 20612 2 2 1 HEC HMC2 H -0.842 4.518 -5.619 1.00 . B A . 69 HEC HMC2 1 1 17 20613 2 2 1 HEC HMC3 H -0.421 6.099 -6.258 1.00 . B A . 69 HEC HMC3 1 1 17 20614 2 2 1 HEC HMD1 H 5.035 3.092 0.900 1.00 . B A . 69 HEC HMD1 1 1 17 20615 2 2 1 HEC HMD2 H 3.553 4.082 0.786 1.00 . B A . 69 HEC HMD2 1 1 17 20616 2 2 1 HEC HMD3 H 3.955 2.838 -0.425 1.00 . B A . 69 HEC HMD3 1 1 17 20617 2 2 1 HEC NA N 6.666 7.918 -3.950 1.00 . B A . 69 HEC NA 1 1 17 20618 2 2 1 HEC NB N 4.657 7.750 -5.987 1.00 . B A . 69 HEC NB 1 1 17 20619 2 2 1 HEC NC N 3.200 5.896 -4.378 1.00 . B A . 69 HEC NC 1 1 17 20620 2 2 1 HEC ND N 5.279 6.023 -2.404 1.00 . B A . 69 HEC ND 1 1 17 20621 2 2 1 HEC O1A O 11.624 6.403 -0.471 1.00 . B A . 69 HEC O1A 1 1 17 20622 2 2 1 HEC O1D O 6.543 5.454 4.117 1.00 . B A . 69 HEC O1D 1 1 17 20623 2 2 1 HEC O2A O 12.039 8.568 -0.453 1.00 . B A . 69 HEC O2A 1 1 17 20624 2 2 1 HEC O2D O 8.587 5.054 3.323 1.00 . B A . 69 HEC O2D 1 1 17 20625 3 2 1 HEC C1A C -2.583 -4.708 -4.760 1.00 . C A . 70 HEC C1A 1 1 17 20626 3 2 1 HEC C1B C -0.417 -2.291 -1.922 1.00 . C A . 70 HEC C1B 1 1 17 20627 3 2 1 HEC C1C C -3.410 0.713 -2.260 1.00 . C A . 70 HEC C1C 1 1 17 20628 3 2 1 HEC C1D C -5.362 -1.497 -5.352 1.00 . C A . 70 HEC C1D 1 1 17 20629 3 2 1 HEC C2A C -1.760 -5.889 -4.608 1.00 . C A . 70 HEC C2A 1 1 17 20630 3 2 1 HEC C2B C 0.353 -1.639 -0.884 1.00 . C A . 70 HEC C2B 1 1 17 20631 3 2 1 HEC C2C C -4.307 1.837 -2.268 1.00 . C A . 70 HEC C2C 1 1 17 20632 3 2 1 HEC C2D C -6.114 -2.116 -6.418 1.00 . C A . 70 HEC C2D 1 1 17 20633 3 2 1 HEC C3A C -0.695 -5.529 -3.815 1.00 . C A . 70 HEC C3A 1 1 17 20634 3 2 1 HEC C3B C -0.301 -0.472 -0.561 1.00 . C A . 70 HEC C3B 1 1 17 20635 3 2 1 HEC C3C C -5.306 1.544 -3.162 1.00 . C A . 70 HEC C3C 1 1 17 20636 3 2 1 HEC C3D C -5.540 -3.341 -6.654 1.00 . C A . 70 HEC C3D 1 1 17 20637 3 2 1 HEC C4A C -0.938 -4.193 -3.320 1.00 . C A . 70 HEC C4A 1 1 17 20638 3 2 1 HEC C4B C -1.427 -0.373 -1.464 1.00 . C A . 70 HEC C4B 1 1 17 20639 3 2 1 HEC C4C C -4.936 0.304 -3.810 1.00 . C A . 70 HEC C4C 1 1 17 20640 3 2 1 HEC C4D C -4.440 -3.490 -5.728 1.00 . C A . 70 HEC C4D 1 1 17 20641 3 2 1 HEC CAA C -2.025 -7.292 -5.140 1.00 . C A . 70 HEC CAA 1 1 17 20642 3 2 1 HEC CAB C 0.055 0.511 0.550 1.00 . C A . 70 HEC CAB 1 1 17 20643 3 2 1 HEC CAC C -6.654 2.240 -3.247 1.00 . C A . 70 HEC CAC 1 1 17 20644 3 2 1 HEC CAD C -5.980 -4.331 -7.708 1.00 . C A . 70 HEC CAD 1 1 17 20645 3 2 1 HEC CBA C -2.740 -8.197 -4.116 1.00 . C A . 70 HEC CBA 1 1 17 20646 3 2 1 HEC CBB C 1.386 1.231 0.314 1.00 . C A . 70 HEC CBB 1 1 17 20647 3 2 1 HEC CBC C -6.623 3.533 -4.055 1.00 . C A . 70 HEC CBC 1 1 17 20648 3 2 1 HEC CBD C -6.917 -5.420 -7.176 1.00 . C A . 70 HEC CBD 1 1 17 20649 3 2 1 HEC CGA C -2.831 -9.681 -4.516 1.00 . C A . 70 HEC CGA 1 1 17 20650 3 2 1 HEC CGD C -7.442 -6.332 -8.293 1.00 . C A . 70 HEC CGD 1 1 17 20651 3 2 1 HEC CHA C -3.669 -4.627 -5.614 1.00 . C A . 70 HEC CHA 1 1 17 20652 3 2 1 HEC CHB C -0.110 -3.537 -2.410 1.00 . C A . 70 HEC CHB 1 1 17 20653 3 2 1 HEC CHC C -2.342 0.641 -1.411 1.00 . C A . 70 HEC CHC 1 1 17 20654 3 2 1 HEC CHD C -5.679 -0.275 -4.808 1.00 . C A . 70 HEC CHD 1 1 17 20655 3 2 1 HEC CMA C 0.546 -6.356 -3.602 1.00 . C A . 70 HEC CMA 1 1 17 20656 3 2 1 HEC CMB C 1.601 -2.190 -0.230 1.00 . C A . 70 HEC CMB 1 1 17 20657 3 2 1 HEC CMC C -4.175 3.081 -1.415 1.00 . C A . 70 HEC CMC 1 1 17 20658 3 2 1 HEC CMD C -7.304 -1.542 -7.159 1.00 . C A . 70 HEC CMD 1 1 17 20659 3 2 1 HEC FE FE -2.921 -1.928 -3.639 1.00 . C A . 70 HEC FE 1 1 17 20660 3 2 1 HEC HAA1 H -2.617 -7.267 -6.052 1.00 . C A . 70 HEC HAA1 1 1 17 20661 3 2 1 HEC HAA2 H -1.075 -7.759 -5.403 1.00 . C A . 70 HEC HAA2 1 1 17 20662 3 2 1 HEC HAB H -0.677 1.307 0.609 1.00 . C A . 70 HEC HAB 1 1 17 20663 3 2 1 HEC HAC H -7.386 1.587 -3.717 1.00 . C A . 70 HEC HAC 1 1 17 20664 3 2 1 HEC HAD1 H -6.504 -3.796 -8.500 1.00 . C A . 70 HEC HAD1 1 1 17 20665 3 2 1 HEC HAD2 H -5.111 -4.806 -8.162 1.00 . C A . 70 HEC HAD2 1 1 17 20666 3 2 1 HEC HBA1 H -2.206 -8.136 -3.167 1.00 . C A . 70 HEC HBA1 1 1 17 20667 3 2 1 HEC HBA2 H -3.750 -7.812 -3.965 1.00 . C A . 70 HEC HBA2 1 1 17 20668 3 2 1 HEC HBB1 H 1.387 1.676 -0.681 1.00 . C A . 70 HEC HBB1 1 1 17 20669 3 2 1 HEC HBB2 H 1.494 2.025 1.050 1.00 . C A . 70 HEC HBB2 1 1 17 20670 3 2 1 HEC HBB3 H 2.233 0.552 0.399 1.00 . C A . 70 HEC HBB3 1 1 17 20671 3 2 1 HEC HBC1 H -6.769 3.272 -5.104 1.00 . C A . 70 HEC HBC1 1 1 17 20672 3 2 1 HEC HBC2 H -7.428 4.199 -3.746 1.00 . C A . 70 HEC HBC2 1 1 17 20673 3 2 1 HEC HBC3 H -5.659 4.027 -3.922 1.00 . C A . 70 HEC HBC3 1 1 17 20674 3 2 1 HEC HBD1 H -6.376 -6.014 -6.437 1.00 . C A . 70 HEC HBD1 1 1 17 20675 3 2 1 HEC HBD2 H -7.767 -4.943 -6.682 1.00 . C A . 70 HEC HBD2 1 1 17 20676 3 2 1 HEC HHA H -3.920 -5.476 -6.224 1.00 . C A . 70 HEC HHA 1 1 17 20677 3 2 1 HEC HHB H 0.767 -4.021 -1.995 1.00 . C A . 70 HEC HHB 1 1 17 20678 3 2 1 HEC HHC H -2.243 1.403 -0.664 1.00 . C A . 70 HEC HHC 1 1 17 20679 3 2 1 HEC HHD H -6.547 0.245 -5.153 1.00 . C A . 70 HEC HHD 1 1 17 20680 3 2 1 HEC HMA1 H 0.304 -7.416 -3.635 1.00 . C A . 70 HEC HMA1 1 1 17 20681 3 2 1 HEC HMA2 H 1.241 -6.129 -4.411 1.00 . C A . 70 HEC HMA2 1 1 17 20682 3 2 1 HEC HMA3 H 1.009 -6.128 -2.650 1.00 . C A . 70 HEC HMA3 1 1 17 20683 3 2 1 HEC HMB1 H 1.438 -3.228 0.053 1.00 . C A . 70 HEC HMB1 1 1 17 20684 3 2 1 HEC HMB2 H 2.431 -2.131 -0.933 1.00 . C A . 70 HEC HMB2 1 1 17 20685 3 2 1 HEC HMB3 H 1.856 -1.632 0.666 1.00 . C A . 70 HEC HMB3 1 1 17 20686 3 2 1 HEC HMC1 H -4.835 3.869 -1.773 1.00 . C A . 70 HEC HMC1 1 1 17 20687 3 2 1 HEC HMC2 H -4.439 2.843 -0.384 1.00 . C A . 70 HEC HMC2 1 1 17 20688 3 2 1 HEC HMC3 H -3.153 3.455 -1.456 1.00 . C A . 70 HEC HMC3 1 1 17 20689 3 2 1 HEC HMD1 H -7.057 -1.459 -8.217 1.00 . C A . 70 HEC HMD1 1 1 17 20690 3 2 1 HEC HMD2 H -8.155 -2.215 -7.044 1.00 . C A . 70 HEC HMD2 1 1 17 20691 3 2 1 HEC HMD3 H -7.590 -0.553 -6.799 1.00 . C A . 70 HEC HMD3 1 1 17 20692 3 2 1 HEC NA N -2.083 -3.731 -3.929 1.00 . C A . 70 HEC NA 1 1 17 20693 3 2 1 HEC NB N -1.469 -1.486 -2.247 1.00 . C A . 70 HEC NB 1 1 17 20694 3 2 1 HEC NC N -3.804 -0.166 -3.216 1.00 . C A . 70 HEC NC 1 1 17 20695 3 2 1 HEC ND N -4.356 -2.342 -5.001 1.00 . C A . 70 HEC ND 1 1 17 20696 3 2 1 HEC O1A O -2.337 -10.036 -5.606 1.00 . C A . 70 HEC O1A 1 1 17 20697 3 2 1 HEC O1D O -7.650 -7.531 -8.005 1.00 . C A . 70 HEC O1D 1 1 17 20698 3 2 1 HEC O2A O -3.390 -10.468 -3.709 1.00 . C A . 70 HEC O2A 1 1 17 20699 3 2 1 HEC O2D O -7.630 -5.812 -9.417 1.00 . C A . 70 HEC O2D 1 1 17 20700 4 2 1 HEC C1A C 2.272 -5.578 9.332 1.00 . D A . 71 HEC C1A 1 1 17 20701 4 2 1 HEC C1B C -0.348 -8.933 8.735 1.00 . D A . 71 HEC C1B 1 1 17 20702 4 2 1 HEC C1C C -1.553 -7.290 4.997 1.00 . D A . 71 HEC C1C 1 1 17 20703 4 2 1 HEC C1D C 1.277 -4.140 5.440 1.00 . D A . 71 HEC C1D 1 1 17 20704 4 2 1 HEC C2A C 2.843 -6.041 10.578 1.00 . D A . 71 HEC C2A 1 1 17 20705 4 2 1 HEC C2B C -1.249 -10.063 8.715 1.00 . D A . 71 HEC C2B 1 1 17 20706 4 2 1 HEC C2C C -1.967 -6.957 3.658 1.00 . D A . 71 HEC C2C 1 1 17 20707 4 2 1 HEC C2D C 2.202 -3.037 5.435 1.00 . D A . 71 HEC C2D 1 1 17 20708 4 2 1 HEC C3A C 2.112 -7.144 10.951 1.00 . D A . 71 HEC C3A 1 1 17 20709 4 2 1 HEC C3B C -2.064 -9.922 7.612 1.00 . D A . 71 HEC C3B 1 1 17 20710 4 2 1 HEC C3C C -1.292 -5.815 3.301 1.00 . D A . 71 HEC C3C 1 1 17 20711 4 2 1 HEC C3D C 2.777 -2.975 6.680 1.00 . D A . 71 HEC C3D 1 1 17 20712 4 2 1 HEC C4A C 1.282 -7.514 9.826 1.00 . D A . 71 HEC C4A 1 1 17 20713 4 2 1 HEC C4B C -1.541 -8.796 6.866 1.00 . D A . 71 HEC C4B 1 1 17 20714 4 2 1 HEC C4C C -0.396 -5.504 4.396 1.00 . D A . 71 HEC C4C 1 1 17 20715 4 2 1 HEC C4D C 2.252 -4.091 7.437 1.00 . D A . 71 HEC C4D 1 1 17 20716 4 2 1 HEC CAA C 4.233 -5.706 11.105 1.00 . D A . 71 HEC CAA 1 1 17 20717 4 2 1 HEC CAB C -3.408 -10.609 7.368 1.00 . D A . 71 HEC CAB 1 1 17 20718 4 2 1 HEC CAC C -1.464 -5.010 2.024 1.00 . D A . 71 HEC CAC 1 1 17 20719 4 2 1 HEC CAD C 3.817 -1.969 7.133 1.00 . D A . 71 HEC CAD 1 1 17 20720 4 2 1 HEC CBA C 5.236 -6.662 10.448 1.00 . D A . 71 HEC CBA 1 1 17 20721 4 2 1 HEC CBB C -4.397 -10.411 8.519 1.00 . D A . 71 HEC CBB 1 1 17 20722 4 2 1 HEC CBC C -2.907 -4.605 1.737 1.00 . D A . 71 HEC CBC 1 1 17 20723 4 2 1 HEC CBD C 5.269 -2.407 6.935 1.00 . D A . 71 HEC CBD 1 1 17 20724 4 2 1 HEC CGA C 6.555 -6.938 11.173 1.00 . D A . 71 HEC CGA 1 1 17 20725 4 2 1 HEC CGD C 5.531 -3.760 7.601 1.00 . D A . 71 HEC CGD 1 1 17 20726 4 2 1 HEC CHA C 2.672 -4.433 8.697 1.00 . D A . 71 HEC CHA 1 1 17 20727 4 2 1 HEC CHB C 0.499 -8.656 9.789 1.00 . D A . 71 HEC CHB 1 1 17 20728 4 2 1 HEC CHC C -2.029 -8.396 5.647 1.00 . D A . 71 HEC CHC 1 1 17 20729 4 2 1 HEC CHD C 0.503 -4.466 4.355 1.00 . D A . 71 HEC CHD 1 1 17 20730 4 2 1 HEC CMA C 2.138 -7.789 12.321 1.00 . D A . 71 HEC CMA 1 1 17 20731 4 2 1 HEC CMB C -1.314 -11.151 9.762 1.00 . D A . 71 HEC CMB 1 1 17 20732 4 2 1 HEC CMC C -2.882 -7.799 2.795 1.00 . D A . 71 HEC CMC 1 1 17 20733 4 2 1 HEC CMD C 2.494 -2.128 4.270 1.00 . D A . 71 HEC CMD 1 1 17 20734 4 2 1 HEC FE FE 0.386 -6.450 7.192 1.00 . D A . 71 HEC FE 1 1 17 20735 4 2 1 HEC HAA1 H 4.542 -4.692 10.860 1.00 . D A . 71 HEC HAA1 1 1 17 20736 4 2 1 HEC HAA2 H 4.276 -5.819 12.185 1.00 . D A . 71 HEC HAA2 1 1 17 20737 4 2 1 HEC HAB H -3.903 -10.182 6.501 1.00 . D A . 71 HEC HAB 1 1 17 20738 4 2 1 HEC HAC H -0.925 -4.073 2.095 1.00 . D A . 71 HEC HAC 1 1 17 20739 4 2 1 HEC HAD1 H 3.664 -1.013 6.636 1.00 . D A . 71 HEC HAD1 1 1 17 20740 4 2 1 HEC HAD2 H 3.709 -1.807 8.197 1.00 . D A . 71 HEC HAD2 1 1 17 20741 4 2 1 HEC HBA1 H 4.721 -7.613 10.511 1.00 . D A . 71 HEC HBA1 1 1 17 20742 4 2 1 HEC HBA2 H 5.394 -6.412 9.398 1.00 . D A . 71 HEC HBA2 1 1 17 20743 4 2 1 HEC HBB1 H -5.360 -10.846 8.246 1.00 . D A . 71 HEC HBB1 1 1 17 20744 4 2 1 HEC HBB2 H -4.041 -10.892 9.429 1.00 . D A . 71 HEC HBB2 1 1 17 20745 4 2 1 HEC HBB3 H -4.532 -9.345 8.703 1.00 . D A . 71 HEC HBB3 1 1 17 20746 4 2 1 HEC HBC1 H -3.311 -4.061 2.588 1.00 . D A . 71 HEC HBC1 1 1 17 20747 4 2 1 HEC HBC2 H -2.890 -3.963 0.861 1.00 . D A . 71 HEC HBC2 1 1 17 20748 4 2 1 HEC HBC3 H -3.541 -5.462 1.518 1.00 . D A . 71 HEC HBC3 1 1 17 20749 4 2 1 HEC HBD1 H 5.506 -2.439 5.874 1.00 . D A . 71 HEC HBD1 1 1 17 20750 4 2 1 HEC HBD2 H 5.917 -1.655 7.389 1.00 . D A . 71 HEC HBD2 1 1 17 20751 4 2 1 HEC HHA H 3.433 -3.840 9.164 1.00 . D A . 71 HEC HHA 1 1 17 20752 4 2 1 HEC HHB H 0.517 -9.334 10.620 1.00 . D A . 71 HEC HHB 1 1 17 20753 4 2 1 HEC HHC H -2.752 -9.000 5.133 1.00 . D A . 71 HEC HHC 1 1 17 20754 4 2 1 HEC HHD H 0.616 -3.910 3.436 1.00 . D A . 71 HEC HHD 1 1 17 20755 4 2 1 HEC HMA1 H 1.916 -8.852 12.279 1.00 . D A . 71 HEC HMA1 1 1 17 20756 4 2 1 HEC HMA2 H 3.110 -7.641 12.788 1.00 . D A . 71 HEC HMA2 1 1 17 20757 4 2 1 HEC HMA3 H 1.382 -7.301 12.936 1.00 . D A . 71 HEC HMA3 1 1 17 20758 4 2 1 HEC HMB1 H -0.310 -11.528 9.954 1.00 . D A . 71 HEC HMB1 1 1 17 20759 4 2 1 HEC HMB2 H -1.739 -10.748 10.682 1.00 . D A . 71 HEC HMB2 1 1 17 20760 4 2 1 HEC HMB3 H -1.926 -11.980 9.414 1.00 . D A . 71 HEC HMB3 1 1 17 20761 4 2 1 HEC HMC1 H -2.607 -8.849 2.883 1.00 . D A . 71 HEC HMC1 1 1 17 20762 4 2 1 HEC HMC2 H -3.913 -7.668 3.125 1.00 . D A . 71 HEC HMC2 1 1 17 20763 4 2 1 HEC HMC3 H -2.790 -7.519 1.748 1.00 . D A . 71 HEC HMC3 1 1 17 20764 4 2 1 HEC HMD1 H 2.458 -2.693 3.344 1.00 . D A . 71 HEC HMD1 1 1 17 20765 4 2 1 HEC HMD2 H 1.768 -1.323 4.210 1.00 . D A . 71 HEC HMD2 1 1 17 20766 4 2 1 HEC HMD3 H 3.492 -1.713 4.389 1.00 . D A . 71 HEC HMD3 1 1 17 20767 4 2 1 HEC NA N 1.381 -6.530 8.901 1.00 . D A . 71 HEC NA 1 1 17 20768 4 2 1 HEC NB N -0.552 -8.210 7.606 1.00 . D A . 71 HEC NB 1 1 17 20769 4 2 1 HEC NC N -0.625 -6.397 5.409 1.00 . D A . 71 HEC NC 1 1 17 20770 4 2 1 HEC ND N 1.341 -4.742 6.660 1.00 . D A . 71 HEC ND 1 1 17 20771 4 2 1 HEC O1A O 7.639 -6.776 10.566 1.00 . D A . 71 HEC O1A 1 1 17 20772 4 2 1 HEC O1D O 5.399 -4.792 6.898 1.00 . D A . 71 HEC O1D 1 1 17 20773 4 2 1 HEC O2A O 6.434 -7.551 12.262 1.00 . D A . 71 HEC O2A 1 1 17 20774 4 2 1 HEC O2D O 5.800 -3.747 8.821 1.00 . D A . 71 HEC O2D 1 1 18 20775 1 1 1 ALA C C 9.987 2.199 -8.491 1.00 . A A . 1 ALA C 1 1 18 20776 1 1 1 ALA CA C 11.493 2.012 -8.307 1.00 . A A . 1 ALA CA 1 1 18 20777 1 1 1 ALA CB C 12.313 2.846 -9.303 1.00 . A A . 1 ALA CB 1 1 18 20778 1 1 1 ALA H1 H 11.440 0.223 -9.326 1.00 . A A . 1 ALA H1 1 1 18 20779 1 1 1 ALA H2 H 12.797 0.401 -8.382 1.00 . A A . 1 ALA H2 1 1 18 20780 1 1 1 ALA H3 H 11.328 0.073 -7.696 1.00 . A A . 1 ALA H3 1 1 18 20781 1 1 1 ALA HA H 11.758 2.334 -7.299 1.00 . A A . 1 ALA HA 1 1 18 20782 1 1 1 ALA HB1 H 12.169 2.492 -10.325 1.00 . A A . 1 ALA HB1 1 1 18 20783 1 1 1 ALA HB2 H 12.013 3.893 -9.243 1.00 . A A . 1 ALA HB2 1 1 18 20784 1 1 1 ALA HB3 H 13.373 2.771 -9.058 1.00 . A A . 1 ALA HB3 1 1 18 20785 1 1 1 ALA N N 11.809 0.577 -8.439 1.00 . A A . 1 ALA N 1 1 18 20786 1 1 1 ALA O O 9.250 2.391 -7.530 1.00 . A A . 1 ALA O 1 1 18 20787 1 1 2 ASP C C 7.756 0.400 -9.070 1.00 . A A . 2 ASP C 1 1 18 20788 1 1 2 ASP CA C 8.285 1.400 -10.100 1.00 . A A . 2 ASP CA 1 1 18 20789 1 1 2 ASP CB C 8.491 0.703 -11.458 1.00 . A A . 2 ASP CB 1 1 18 20790 1 1 2 ASP CG C 9.599 -0.358 -11.457 1.00 . A A . 2 ASP CG 1 1 18 20791 1 1 2 ASP H H 10.232 1.907 -10.461 1.00 . A A . 2 ASP H 1 1 18 20792 1 1 2 ASP HA H 7.546 2.195 -10.159 1.00 . A A . 2 ASP HA 1 1 18 20793 1 1 2 ASP HB2 H 7.562 0.214 -11.747 1.00 . A A . 2 ASP HB2 1 1 18 20794 1 1 2 ASP HB3 H 8.735 1.447 -12.217 1.00 . A A . 2 ASP HB3 1 1 18 20795 1 1 2 ASP N N 9.543 2.024 -9.735 1.00 . A A . 2 ASP N 1 1 18 20796 1 1 2 ASP O O 6.583 0.480 -8.723 1.00 . A A . 2 ASP O 1 1 18 20797 1 1 2 ASP OD1 O 10.455 -0.314 -10.534 1.00 . A A . 2 ASP OD1 1 1 18 20798 1 1 2 ASP OD2 O 9.582 -1.186 -12.386 1.00 . A A . 2 ASP OD2 1 1 18 20799 1 1 3 VAL C C 9.238 -1.066 -6.303 1.00 . A A . 3 VAL C 1 1 18 20800 1 1 3 VAL CA C 8.313 -1.407 -7.476 1.00 . A A . 3 VAL CA 1 1 18 20801 1 1 3 VAL CB C 8.407 -2.875 -7.936 1.00 . A A . 3 VAL CB 1 1 18 20802 1 1 3 VAL CG1 C 9.809 -3.267 -8.423 1.00 . A A . 3 VAL CG1 1 1 18 20803 1 1 3 VAL CG2 C 7.960 -3.841 -6.831 1.00 . A A . 3 VAL CG2 1 1 18 20804 1 1 3 VAL H H 9.481 -0.612 -9.090 1.00 . A A . 3 VAL H 1 1 18 20805 1 1 3 VAL HA H 7.294 -1.235 -7.138 1.00 . A A . 3 VAL HA 1 1 18 20806 1 1 3 VAL HB H 7.717 -3.002 -8.772 1.00 . A A . 3 VAL HB 1 1 18 20807 1 1 3 VAL HG11 H 10.109 -2.644 -9.263 1.00 . A A . 3 VAL HG11 1 1 18 20808 1 1 3 VAL HG12 H 10.538 -3.167 -7.619 1.00 . A A . 3 VAL HG12 1 1 18 20809 1 1 3 VAL HG13 H 9.797 -4.305 -8.756 1.00 . A A . 3 VAL HG13 1 1 18 20810 1 1 3 VAL HG21 H 8.652 -3.810 -5.991 1.00 . A A . 3 VAL HG21 1 1 18 20811 1 1 3 VAL HG22 H 6.960 -3.578 -6.489 1.00 . A A . 3 VAL HG22 1 1 18 20812 1 1 3 VAL HG23 H 7.933 -4.856 -7.227 1.00 . A A . 3 VAL HG23 1 1 18 20813 1 1 3 VAL N N 8.596 -0.522 -8.599 1.00 . A A . 3 VAL N 1 1 18 20814 1 1 3 VAL O O 10.392 -0.686 -6.524 1.00 . A A . 3 VAL O 1 1 18 20815 1 1 4 VAL C C 9.174 -2.305 -2.996 1.00 . A A . 4 VAL C 1 1 18 20816 1 1 4 VAL CA C 9.476 -1.059 -3.823 1.00 . A A . 4 VAL CA 1 1 18 20817 1 1 4 VAL CB C 9.034 0.218 -3.088 1.00 . A A . 4 VAL CB 1 1 18 20818 1 1 4 VAL CG1 C 9.630 0.336 -1.674 1.00 . A A . 4 VAL CG1 1 1 18 20819 1 1 4 VAL CG2 C 9.446 1.462 -3.875 1.00 . A A . 4 VAL CG2 1 1 18 20820 1 1 4 VAL H H 7.767 -1.504 -4.964 1.00 . A A . 4 VAL H 1 1 18 20821 1 1 4 VAL HA H 10.548 -1.004 -3.982 1.00 . A A . 4 VAL HA 1 1 18 20822 1 1 4 VAL HB H 7.947 0.208 -3.022 1.00 . A A . 4 VAL HB 1 1 18 20823 1 1 4 VAL HG11 H 10.713 0.209 -1.707 1.00 . A A . 4 VAL HG11 1 1 18 20824 1 1 4 VAL HG12 H 9.406 1.314 -1.250 1.00 . A A . 4 VAL HG12 1 1 18 20825 1 1 4 VAL HG13 H 9.208 -0.415 -1.008 1.00 . A A . 4 VAL HG13 1 1 18 20826 1 1 4 VAL HG21 H 9.113 2.349 -3.336 1.00 . A A . 4 VAL HG21 1 1 18 20827 1 1 4 VAL HG22 H 10.531 1.485 -3.975 1.00 . A A . 4 VAL HG22 1 1 18 20828 1 1 4 VAL HG23 H 8.983 1.457 -4.860 1.00 . A A . 4 VAL HG23 1 1 18 20829 1 1 4 VAL N N 8.731 -1.188 -5.073 1.00 . A A . 4 VAL N 1 1 18 20830 1 1 4 VAL O O 8.207 -3.012 -3.280 1.00 . A A . 4 VAL O 1 1 18 20831 1 1 5 THR C C 9.785 -2.552 0.493 1.00 . A A . 5 THR C 1 1 18 20832 1 1 5 THR CA C 9.455 -3.282 -0.799 1.00 . A A . 5 THR CA 1 1 18 20833 1 1 5 THR CB C 9.993 -4.720 -0.776 1.00 . A A . 5 THR CB 1 1 18 20834 1 1 5 THR CG2 C 11.521 -4.801 -0.703 1.00 . A A . 5 THR CG2 1 1 18 20835 1 1 5 THR H H 10.761 -1.972 -1.756 1.00 . A A . 5 THR H 1 1 18 20836 1 1 5 THR HA H 8.367 -3.241 -0.865 1.00 . A A . 5 THR HA 1 1 18 20837 1 1 5 THR HB H 9.670 -5.226 -1.685 1.00 . A A . 5 THR HB 1 1 18 20838 1 1 5 THR HG1 H 8.540 -5.092 0.410 1.00 . A A . 5 THR HG1 1 1 18 20839 1 1 5 THR HG21 H 11.889 -4.336 0.212 1.00 . A A . 5 THR HG21 1 1 18 20840 1 1 5 THR HG22 H 11.823 -5.849 -0.706 1.00 . A A . 5 THR HG22 1 1 18 20841 1 1 5 THR HG23 H 11.968 -4.305 -1.564 1.00 . A A . 5 THR HG23 1 1 18 20842 1 1 5 THR N N 9.960 -2.557 -1.945 1.00 . A A . 5 THR N 1 1 18 20843 1 1 5 THR O O 10.802 -1.868 0.580 1.00 . A A . 5 THR O 1 1 18 20844 1 1 5 THR OG1 O 9.460 -5.373 0.355 1.00 . A A . 5 THR OG1 1 1 18 20845 1 1 6 TYR C C 10.122 -3.292 3.568 1.00 . A A . 6 TYR C 1 1 18 20846 1 1 6 TYR CA C 9.179 -2.321 2.857 1.00 . A A . 6 TYR CA 1 1 18 20847 1 1 6 TYR CB C 7.877 -2.207 3.653 1.00 . A A . 6 TYR CB 1 1 18 20848 1 1 6 TYR CD1 C 7.278 0.170 2.972 1.00 . A A . 6 TYR CD1 1 1 18 20849 1 1 6 TYR CD2 C 5.650 -1.608 2.672 1.00 . A A . 6 TYR CD2 1 1 18 20850 1 1 6 TYR CE1 C 6.412 1.065 2.321 1.00 . A A . 6 TYR CE1 1 1 18 20851 1 1 6 TYR CE2 C 4.779 -0.715 2.039 1.00 . A A . 6 TYR CE2 1 1 18 20852 1 1 6 TYR CG C 6.904 -1.180 3.121 1.00 . A A . 6 TYR CG 1 1 18 20853 1 1 6 TYR CZ C 5.148 0.627 1.890 1.00 . A A . 6 TYR CZ 1 1 18 20854 1 1 6 TYR H H 8.089 -3.292 1.304 1.00 . A A . 6 TYR H 1 1 18 20855 1 1 6 TYR HA H 9.632 -1.337 2.836 1.00 . A A . 6 TYR HA 1 1 18 20856 1 1 6 TYR HB2 H 7.403 -3.189 3.673 1.00 . A A . 6 TYR HB2 1 1 18 20857 1 1 6 TYR HB3 H 8.106 -1.942 4.685 1.00 . A A . 6 TYR HB3 1 1 18 20858 1 1 6 TYR HD1 H 8.255 0.506 3.285 1.00 . A A . 6 TYR HD1 1 1 18 20859 1 1 6 TYR HD2 H 5.390 -2.644 2.746 1.00 . A A . 6 TYR HD2 1 1 18 20860 1 1 6 TYR HE1 H 6.790 2.029 2.013 1.00 . A A . 6 TYR HE1 1 1 18 20861 1 1 6 TYR HE2 H 3.892 -1.093 1.561 1.00 . A A . 6 TYR HE2 1 1 18 20862 1 1 6 TYR HH H 4.179 0.927 0.263 1.00 . A A . 6 TYR HH 1 1 18 20863 1 1 6 TYR N N 8.913 -2.731 1.489 1.00 . A A . 6 TYR N 1 1 18 20864 1 1 6 TYR O O 10.666 -2.936 4.610 1.00 . A A . 6 TYR O 1 1 18 20865 1 1 6 TYR OH O 4.408 1.410 1.063 1.00 . A A . 6 TYR OH 1 1 18 20866 1 1 7 GLU C C 9.587 -5.863 4.981 1.00 . A A . 7 GLU C 1 1 18 20867 1 1 7 GLU CA C 10.660 -5.667 3.894 1.00 . A A . 7 GLU CA 1 1 18 20868 1 1 7 GLU CB C 12.076 -5.433 4.453 1.00 . A A . 7 GLU CB 1 1 18 20869 1 1 7 GLU CD C 13.015 -7.323 5.908 1.00 . A A . 7 GLU CD 1 1 18 20870 1 1 7 GLU CG C 13.031 -6.638 4.548 1.00 . A A . 7 GLU CG 1 1 18 20871 1 1 7 GLU H H 9.850 -4.748 2.163 1.00 . A A . 7 GLU H 1 1 18 20872 1 1 7 GLU HA H 10.680 -6.533 3.241 1.00 . A A . 7 GLU HA 1 1 18 20873 1 1 7 GLU HB2 H 12.557 -4.741 3.767 1.00 . A A . 7 GLU HB2 1 1 18 20874 1 1 7 GLU HB3 H 11.989 -4.958 5.427 1.00 . A A . 7 GLU HB3 1 1 18 20875 1 1 7 GLU HG2 H 12.829 -7.357 3.757 1.00 . A A . 7 GLU HG2 1 1 18 20876 1 1 7 GLU HG3 H 14.047 -6.270 4.404 1.00 . A A . 7 GLU HG3 1 1 18 20877 1 1 7 GLU N N 10.254 -4.531 3.066 1.00 . A A . 7 GLU N 1 1 18 20878 1 1 7 GLU O O 8.522 -5.252 4.892 1.00 . A A . 7 GLU O 1 1 18 20879 1 1 7 GLU OE1 O 12.143 -8.203 6.075 1.00 . A A . 7 GLU OE1 1 1 18 20880 1 1 7 GLU OE2 O 13.841 -6.946 6.763 1.00 . A A . 7 GLU OE2 1 1 18 20881 1 1 8 ASN C C 9.136 -8.510 7.507 1.00 . A A . 8 ASN C 1 1 18 20882 1 1 8 ASN CA C 9.171 -7.011 7.223 1.00 . A A . 8 ASN CA 1 1 18 20883 1 1 8 ASN CB C 7.762 -6.434 7.385 1.00 . A A . 8 ASN CB 1 1 18 20884 1 1 8 ASN CG C 6.716 -7.213 6.596 1.00 . A A . 8 ASN CG 1 1 18 20885 1 1 8 ASN H H 10.715 -7.269 5.823 1.00 . A A . 8 ASN H 1 1 18 20886 1 1 8 ASN HA H 9.796 -6.542 7.984 1.00 . A A . 8 ASN HA 1 1 18 20887 1 1 8 ASN HB2 H 7.495 -6.523 8.437 1.00 . A A . 8 ASN HB2 1 1 18 20888 1 1 8 ASN HB3 H 7.765 -5.375 7.148 1.00 . A A . 8 ASN HB3 1 1 18 20889 1 1 8 ASN HD21 H 6.847 -5.897 5.100 1.00 . A A . 8 ASN HD21 1 1 18 20890 1 1 8 ASN HD22 H 5.839 -7.331 4.778 1.00 . A A . 8 ASN HD22 1 1 18 20891 1 1 8 ASN N N 9.851 -6.744 5.948 1.00 . A A . 8 ASN N 1 1 18 20892 1 1 8 ASN ND2 N 6.379 -6.746 5.405 1.00 . A A . 8 ASN ND2 1 1 18 20893 1 1 8 ASN O O 9.126 -9.324 6.583 1.00 . A A . 8 ASN O 1 1 18 20894 1 1 8 ASN OD1 O 6.229 -8.253 7.032 1.00 . A A . 8 ASN OD1 1 1 18 20895 1 1 9 LYS C C 8.140 -11.137 8.961 1.00 . A A . 9 LYS C 1 1 18 20896 1 1 9 LYS CA C 9.320 -10.214 9.265 1.00 . A A . 9 LYS CA 1 1 18 20897 1 1 9 LYS CB C 9.677 -10.210 10.763 1.00 . A A . 9 LYS CB 1 1 18 20898 1 1 9 LYS CD C 12.185 -10.745 10.686 1.00 . A A . 9 LYS CD 1 1 18 20899 1 1 9 LYS CE C 12.768 -9.655 11.602 1.00 . A A . 9 LYS CE 1 1 18 20900 1 1 9 LYS CG C 10.778 -11.234 11.085 1.00 . A A . 9 LYS CG 1 1 18 20901 1 1 9 LYS H H 8.902 -8.149 9.492 1.00 . A A . 9 LYS H 1 1 18 20902 1 1 9 LYS HA H 10.169 -10.595 8.697 1.00 . A A . 9 LYS HA 1 1 18 20903 1 1 9 LYS HB2 H 9.996 -9.217 11.076 1.00 . A A . 9 LYS HB2 1 1 18 20904 1 1 9 LYS HB3 H 8.785 -10.461 11.337 1.00 . A A . 9 LYS HB3 1 1 18 20905 1 1 9 LYS HD2 H 12.862 -11.602 10.668 1.00 . A A . 9 LYS HD2 1 1 18 20906 1 1 9 LYS HD3 H 12.153 -10.344 9.670 1.00 . A A . 9 LYS HD3 1 1 18 20907 1 1 9 LYS HE2 H 13.716 -9.321 11.172 1.00 . A A . 9 LYS HE2 1 1 18 20908 1 1 9 LYS HE3 H 12.102 -8.792 11.638 1.00 . A A . 9 LYS HE3 1 1 18 20909 1 1 9 LYS HG2 H 10.739 -11.481 12.144 1.00 . A A . 9 LYS HG2 1 1 18 20910 1 1 9 LYS HG3 H 10.556 -12.152 10.533 1.00 . A A . 9 LYS HG3 1 1 18 20911 1 1 9 LYS HZ1 H 12.157 -10.423 13.412 1.00 . A A . 9 LYS HZ1 1 1 18 20912 1 1 9 LYS HZ2 H 13.660 -10.923 12.956 1.00 . A A . 9 LYS HZ2 1 1 18 20913 1 1 9 LYS HZ3 H 13.435 -9.399 13.526 1.00 . A A . 9 LYS HZ3 1 1 18 20914 1 1 9 LYS N N 9.088 -8.860 8.797 1.00 . A A . 9 LYS N 1 1 18 20915 1 1 9 LYS NZ N 13.021 -10.140 12.975 1.00 . A A . 9 LYS NZ 1 1 18 20916 1 1 9 LYS O O 8.360 -12.321 8.721 1.00 . A A . 9 LYS O 1 1 18 20917 1 1 10 LYS C C 6.025 -11.917 7.107 1.00 . A A . 10 LYS C 1 1 18 20918 1 1 10 LYS CA C 5.762 -11.426 8.525 1.00 . A A . 10 LYS CA 1 1 18 20919 1 1 10 LYS CB C 4.434 -10.650 8.509 1.00 . A A . 10 LYS CB 1 1 18 20920 1 1 10 LYS CD C 3.533 -10.761 10.935 1.00 . A A . 10 LYS CD 1 1 18 20921 1 1 10 LYS CE C 4.634 -11.524 11.685 1.00 . A A . 10 LYS CE 1 1 18 20922 1 1 10 LYS CG C 3.994 -9.889 9.758 1.00 . A A . 10 LYS CG 1 1 18 20923 1 1 10 LYS H H 6.783 -9.668 9.320 1.00 . A A . 10 LYS H 1 1 18 20924 1 1 10 LYS HA H 5.668 -12.319 9.135 1.00 . A A . 10 LYS HA 1 1 18 20925 1 1 10 LYS HB2 H 4.491 -9.898 7.728 1.00 . A A . 10 LYS HB2 1 1 18 20926 1 1 10 LYS HB3 H 3.639 -11.341 8.228 1.00 . A A . 10 LYS HB3 1 1 18 20927 1 1 10 LYS HD2 H 3.028 -10.116 11.649 1.00 . A A . 10 LYS HD2 1 1 18 20928 1 1 10 LYS HD3 H 2.794 -11.477 10.569 1.00 . A A . 10 LYS HD3 1 1 18 20929 1 1 10 LYS HE2 H 4.197 -11.932 12.596 1.00 . A A . 10 LYS HE2 1 1 18 20930 1 1 10 LYS HE3 H 4.971 -12.358 11.083 1.00 . A A . 10 LYS HE3 1 1 18 20931 1 1 10 LYS HG2 H 4.731 -9.150 10.039 1.00 . A A . 10 LYS HG2 1 1 18 20932 1 1 10 LYS HG3 H 3.134 -9.309 9.424 1.00 . A A . 10 LYS HG3 1 1 18 20933 1 1 10 LYS HZ1 H 6.508 -11.209 12.534 1.00 . A A . 10 LYS HZ1 1 1 18 20934 1 1 10 LYS HZ2 H 6.223 -10.204 11.262 1.00 . A A . 10 LYS HZ2 1 1 18 20935 1 1 10 LYS HZ3 H 5.537 -9.887 12.636 1.00 . A A . 10 LYS HZ3 1 1 18 20936 1 1 10 LYS N N 6.899 -10.633 8.996 1.00 . A A . 10 LYS N 1 1 18 20937 1 1 10 LYS NZ N 5.794 -10.688 12.054 1.00 . A A . 10 LYS NZ 1 1 18 20938 1 1 10 LYS O O 5.967 -13.109 6.832 1.00 . A A . 10 LYS O 1 1 18 20939 1 1 11 GLY C C 6.563 -9.906 4.110 1.00 . A A . 11 GLY C 1 1 18 20940 1 1 11 GLY CA C 6.353 -11.246 4.784 1.00 . A A . 11 GLY CA 1 1 18 20941 1 1 11 GLY H H 6.335 -10.015 6.511 1.00 . A A . 11 GLY H 1 1 18 20942 1 1 11 GLY HA2 H 7.180 -11.929 4.582 1.00 . A A . 11 GLY HA2 1 1 18 20943 1 1 11 GLY HA3 H 5.424 -11.689 4.426 1.00 . A A . 11 GLY HA3 1 1 18 20944 1 1 11 GLY N N 6.265 -10.980 6.199 1.00 . A A . 11 GLY N 1 1 18 20945 1 1 11 GLY O O 5.653 -9.070 4.139 1.00 . A A . 11 GLY O 1 1 18 20946 1 1 12 ASN C C 7.178 -8.043 1.917 1.00 . A A . 12 ASN C 1 1 18 20947 1 1 12 ASN CA C 8.255 -8.534 2.872 1.00 . A A . 12 ASN CA 1 1 18 20948 1 1 12 ASN CB C 9.508 -8.876 2.070 1.00 . A A . 12 ASN CB 1 1 18 20949 1 1 12 ASN CG C 10.739 -9.184 2.920 1.00 . A A . 12 ASN CG 1 1 18 20950 1 1 12 ASN H H 8.425 -10.485 3.657 1.00 . A A . 12 ASN H 1 1 18 20951 1 1 12 ASN HA H 8.537 -7.738 3.572 1.00 . A A . 12 ASN HA 1 1 18 20952 1 1 12 ASN HB2 H 9.260 -9.711 1.426 1.00 . A A . 12 ASN HB2 1 1 18 20953 1 1 12 ASN HB3 H 9.758 -8.026 1.432 1.00 . A A . 12 ASN HB3 1 1 18 20954 1 1 12 ASN HD21 H 9.710 -9.148 4.733 1.00 . A A . 12 ASN HD21 1 1 18 20955 1 1 12 ASN HD22 H 11.425 -9.155 4.843 1.00 . A A . 12 ASN HD22 1 1 18 20956 1 1 12 ASN N N 7.775 -9.718 3.576 1.00 . A A . 12 ASN N 1 1 18 20957 1 1 12 ASN ND2 N 10.597 -9.237 4.243 1.00 . A A . 12 ASN ND2 1 1 18 20958 1 1 12 ASN O O 6.887 -8.674 0.902 1.00 . A A . 12 ASN O 1 1 18 20959 1 1 12 ASN OD1 O 11.829 -9.333 2.380 1.00 . A A . 12 ASN OD1 1 1 18 20960 1 1 13 VAL C C 6.244 -5.634 0.290 1.00 . A A . 13 VAL C 1 1 18 20961 1 1 13 VAL CA C 5.545 -6.310 1.457 1.00 . A A . 13 VAL CA 1 1 18 20962 1 1 13 VAL CB C 4.688 -5.360 2.301 1.00 . A A . 13 VAL CB 1 1 18 20963 1 1 13 VAL CG1 C 3.889 -4.406 1.405 1.00 . A A . 13 VAL CG1 1 1 18 20964 1 1 13 VAL CG2 C 3.696 -6.177 3.138 1.00 . A A . 13 VAL CG2 1 1 18 20965 1 1 13 VAL H H 6.997 -6.397 3.024 1.00 . A A . 13 VAL H 1 1 18 20966 1 1 13 VAL HA H 4.883 -7.088 1.069 1.00 . A A . 13 VAL HA 1 1 18 20967 1 1 13 VAL HB H 5.335 -4.792 2.973 1.00 . A A . 13 VAL HB 1 1 18 20968 1 1 13 VAL HG11 H 3.167 -3.867 2.009 1.00 . A A . 13 VAL HG11 1 1 18 20969 1 1 13 VAL HG12 H 4.547 -3.677 0.931 1.00 . A A . 13 VAL HG12 1 1 18 20970 1 1 13 VAL HG13 H 3.359 -4.969 0.635 1.00 . A A . 13 VAL HG13 1 1 18 20971 1 1 13 VAL HG21 H 4.226 -6.903 3.747 1.00 . A A . 13 VAL HG21 1 1 18 20972 1 1 13 VAL HG22 H 3.131 -5.520 3.796 1.00 . A A . 13 VAL HG22 1 1 18 20973 1 1 13 VAL HG23 H 3.004 -6.707 2.487 1.00 . A A . 13 VAL HG23 1 1 18 20974 1 1 13 VAL N N 6.589 -6.908 2.260 1.00 . A A . 13 VAL N 1 1 18 20975 1 1 13 VAL O O 6.823 -4.555 0.444 1.00 . A A . 13 VAL O 1 1 18 20976 1 1 14 THR C C 5.346 -4.986 -2.632 1.00 . A A . 14 THR C 1 1 18 20977 1 1 14 THR CA C 6.581 -5.741 -2.140 1.00 . A A . 14 THR CA 1 1 18 20978 1 1 14 THR CB C 6.996 -6.881 -3.079 1.00 . A A . 14 THR CB 1 1 18 20979 1 1 14 THR CG2 C 7.515 -6.365 -4.423 1.00 . A A . 14 THR CG2 1 1 18 20980 1 1 14 THR H H 5.764 -7.206 -0.858 1.00 . A A . 14 THR H 1 1 18 20981 1 1 14 THR HA H 7.413 -5.053 -2.024 1.00 . A A . 14 THR HA 1 1 18 20982 1 1 14 THR HB H 6.141 -7.537 -3.260 1.00 . A A . 14 THR HB 1 1 18 20983 1 1 14 THR HG1 H 7.738 -7.914 -1.592 1.00 . A A . 14 THR HG1 1 1 18 20984 1 1 14 THR HG21 H 8.359 -5.693 -4.263 1.00 . A A . 14 THR HG21 1 1 18 20985 1 1 14 THR HG22 H 7.842 -7.208 -5.031 1.00 . A A . 14 THR HG22 1 1 18 20986 1 1 14 THR HG23 H 6.725 -5.835 -4.956 1.00 . A A . 14 THR HG23 1 1 18 20987 1 1 14 THR N N 6.233 -6.312 -0.854 1.00 . A A . 14 THR N 1 1 18 20988 1 1 14 THR O O 4.232 -5.462 -2.417 1.00 . A A . 14 THR O 1 1 18 20989 1 1 14 THR OG1 O 8.029 -7.626 -2.463 1.00 . A A . 14 THR OG1 1 1 18 20990 1 1 15 PHE C C 4.807 -2.220 -4.959 1.00 . A A . 15 PHE C 1 1 18 20991 1 1 15 PHE CA C 4.399 -3.010 -3.718 1.00 . A A . 15 PHE CA 1 1 18 20992 1 1 15 PHE CB C 3.836 -2.103 -2.618 1.00 . A A . 15 PHE CB 1 1 18 20993 1 1 15 PHE CD1 C 5.758 -1.402 -1.150 1.00 . A A . 15 PHE CD1 1 1 18 20994 1 1 15 PHE CD2 C 4.649 0.293 -2.506 1.00 . A A . 15 PHE CD2 1 1 18 20995 1 1 15 PHE CE1 C 6.595 -0.417 -0.610 1.00 . A A . 15 PHE CE1 1 1 18 20996 1 1 15 PHE CE2 C 5.481 1.281 -1.955 1.00 . A A . 15 PHE CE2 1 1 18 20997 1 1 15 PHE CG C 4.780 -1.047 -2.094 1.00 . A A . 15 PHE CG 1 1 18 20998 1 1 15 PHE CZ C 6.448 0.923 -1.001 1.00 . A A . 15 PHE CZ 1 1 18 20999 1 1 15 PHE H H 6.449 -3.433 -3.367 1.00 . A A . 15 PHE H 1 1 18 21000 1 1 15 PHE HA H 3.597 -3.691 -4.009 1.00 . A A . 15 PHE HA 1 1 18 21001 1 1 15 PHE HB2 H 2.943 -1.606 -2.996 1.00 . A A . 15 PHE HB2 1 1 18 21002 1 1 15 PHE HB3 H 3.537 -2.724 -1.777 1.00 . A A . 15 PHE HB3 1 1 18 21003 1 1 15 PHE HD1 H 5.856 -2.424 -0.819 1.00 . A A . 15 PHE HD1 1 1 18 21004 1 1 15 PHE HD2 H 3.920 0.568 -3.255 1.00 . A A . 15 PHE HD2 1 1 18 21005 1 1 15 PHE HE1 H 7.293 -0.679 0.170 1.00 . A A . 15 PHE HE1 1 1 18 21006 1 1 15 PHE HE2 H 5.370 2.315 -2.252 1.00 . A A . 15 PHE HE2 1 1 18 21007 1 1 15 PHE HZ H 7.053 1.680 -0.528 1.00 . A A . 15 PHE HZ 1 1 18 21008 1 1 15 PHE N N 5.514 -3.805 -3.228 1.00 . A A . 15 PHE N 1 1 18 21009 1 1 15 PHE O O 5.851 -1.564 -4.998 1.00 . A A . 15 PHE O 1 1 18 21010 1 1 16 ASP C C 3.700 -0.285 -7.259 1.00 . A A . 16 ASP C 1 1 18 21011 1 1 16 ASP CA C 4.145 -1.748 -7.296 1.00 . A A . 16 ASP CA 1 1 18 21012 1 1 16 ASP CB C 3.362 -2.603 -8.298 1.00 . A A . 16 ASP CB 1 1 18 21013 1 1 16 ASP CG C 3.697 -4.081 -8.161 1.00 . A A . 16 ASP CG 1 1 18 21014 1 1 16 ASP H H 3.278 -3.077 -5.951 1.00 . A A . 16 ASP H 1 1 18 21015 1 1 16 ASP HA H 5.194 -1.810 -7.585 1.00 . A A . 16 ASP HA 1 1 18 21016 1 1 16 ASP HB2 H 2.293 -2.504 -8.115 1.00 . A A . 16 ASP HB2 1 1 18 21017 1 1 16 ASP HB3 H 3.604 -2.281 -9.309 1.00 . A A . 16 ASP HB3 1 1 18 21018 1 1 16 ASP N N 3.965 -2.326 -5.983 1.00 . A A . 16 ASP N 1 1 18 21019 1 1 16 ASP O O 2.540 0.039 -7.523 1.00 . A A . 16 ASP O 1 1 18 21020 1 1 16 ASP OD1 O 3.241 -4.649 -7.142 1.00 . A A . 16 ASP OD1 1 1 18 21021 1 1 16 ASP OD2 O 4.416 -4.594 -9.042 1.00 . A A . 16 ASP OD2 1 1 18 21022 1 1 17 HIS C C 3.841 2.591 -8.103 1.00 . A A . 17 HIS C 1 1 18 21023 1 1 17 HIS CA C 4.465 2.035 -6.818 1.00 . A A . 17 HIS CA 1 1 18 21024 1 1 17 HIS CB C 5.851 2.656 -6.564 1.00 . A A . 17 HIS CB 1 1 18 21025 1 1 17 HIS CD2 C 4.992 4.753 -5.376 1.00 . A A . 17 HIS CD2 1 1 18 21026 1 1 17 HIS CE1 C 6.235 6.271 -6.351 1.00 . A A . 17 HIS CE1 1 1 18 21027 1 1 17 HIS CG C 5.815 4.126 -6.269 1.00 . A A . 17 HIS CG 1 1 18 21028 1 1 17 HIS H H 5.565 0.232 -6.767 1.00 . A A . 17 HIS H 1 1 18 21029 1 1 17 HIS HA H 3.805 2.252 -5.978 1.00 . A A . 17 HIS HA 1 1 18 21030 1 1 17 HIS HB2 H 6.346 2.144 -5.744 1.00 . A A . 17 HIS HB2 1 1 18 21031 1 1 17 HIS HB3 H 6.492 2.532 -7.433 1.00 . A A . 17 HIS HB3 1 1 18 21032 1 1 17 HIS HD1 H 7.321 4.925 -7.554 1.00 . A A . 17 HIS HD1 1 1 18 21033 1 1 17 HIS HD2 H 4.261 4.286 -4.737 1.00 . A A . 17 HIS HD2 1 1 18 21034 1 1 17 HIS HE1 H 6.661 7.224 -6.618 1.00 . A A . 17 HIS HE1 1 1 18 21035 1 1 17 HIS N N 4.629 0.594 -6.890 1.00 . A A . 17 HIS N 1 1 18 21036 1 1 17 HIS ND1 N 6.598 5.085 -6.869 1.00 . A A . 17 HIS ND1 1 1 18 21037 1 1 17 HIS NE2 N 5.265 6.117 -5.440 1.00 . A A . 17 HIS NE2 1 1 18 21038 1 1 17 HIS O O 2.721 3.103 -8.101 1.00 . A A . 17 HIS O 1 1 18 21039 1 1 18 LYS C C 2.824 2.414 -10.896 1.00 . A A . 18 LYS C 1 1 18 21040 1 1 18 LYS CA C 4.178 2.992 -10.511 1.00 . A A . 18 LYS CA 1 1 18 21041 1 1 18 LYS CB C 5.247 2.668 -11.563 1.00 . A A . 18 LYS CB 1 1 18 21042 1 1 18 LYS CD C 5.815 2.876 -14.026 1.00 . A A . 18 LYS CD 1 1 18 21043 1 1 18 LYS CE C 5.154 3.029 -15.404 1.00 . A A . 18 LYS CE 1 1 18 21044 1 1 18 LYS CG C 4.703 2.882 -12.977 1.00 . A A . 18 LYS CG 1 1 18 21045 1 1 18 LYS H H 5.446 1.967 -9.133 1.00 . A A . 18 LYS H 1 1 18 21046 1 1 18 LYS HA H 4.081 4.076 -10.441 1.00 . A A . 18 LYS HA 1 1 18 21047 1 1 18 LYS HB2 H 6.095 3.333 -11.405 1.00 . A A . 18 LYS HB2 1 1 18 21048 1 1 18 LYS HB3 H 5.568 1.630 -11.468 1.00 . A A . 18 LYS HB3 1 1 18 21049 1 1 18 LYS HD2 H 6.497 3.702 -13.820 1.00 . A A . 18 LYS HD2 1 1 18 21050 1 1 18 LYS HD3 H 6.350 1.926 -13.953 1.00 . A A . 18 LYS HD3 1 1 18 21051 1 1 18 LYS HE2 H 4.543 2.146 -15.604 1.00 . A A . 18 LYS HE2 1 1 18 21052 1 1 18 LYS HE3 H 4.503 3.906 -15.399 1.00 . A A . 18 LYS HE3 1 1 18 21053 1 1 18 LYS HG2 H 4.000 2.085 -13.225 1.00 . A A . 18 LYS HG2 1 1 18 21054 1 1 18 LYS HG3 H 4.174 3.833 -13.006 1.00 . A A . 18 LYS HG3 1 1 18 21055 1 1 18 LYS HZ1 H 6.731 2.374 -16.544 1.00 . A A . 18 LYS HZ1 1 1 18 21056 1 1 18 LYS HZ2 H 5.615 3.260 -17.370 1.00 . A A . 18 LYS HZ2 1 1 18 21057 1 1 18 LYS HZ3 H 6.677 4.018 -16.365 1.00 . A A . 18 LYS HZ3 1 1 18 21058 1 1 18 LYS N N 4.578 2.480 -9.211 1.00 . A A . 18 LYS N 1 1 18 21059 1 1 18 LYS NZ N 6.127 3.181 -16.501 1.00 . A A . 18 LYS NZ 1 1 18 21060 1 1 18 LYS O O 1.922 3.151 -11.268 1.00 . A A . 18 LYS O 1 1 18 21061 1 1 19 ALA C C 0.274 1.086 -10.375 1.00 . A A . 19 ALA C 1 1 18 21062 1 1 19 ALA CA C 1.437 0.414 -11.099 1.00 . A A . 19 ALA CA 1 1 18 21063 1 1 19 ALA CB C 1.519 -1.029 -10.647 1.00 . A A . 19 ALA CB 1 1 18 21064 1 1 19 ALA H H 3.510 0.555 -10.575 1.00 . A A . 19 ALA H 1 1 18 21065 1 1 19 ALA HA H 1.258 0.428 -12.175 1.00 . A A . 19 ALA HA 1 1 18 21066 1 1 19 ALA HB1 H 2.363 -1.527 -11.122 1.00 . A A . 19 ALA HB1 1 1 18 21067 1 1 19 ALA HB2 H 1.637 -1.003 -9.570 1.00 . A A . 19 ALA HB2 1 1 18 21068 1 1 19 ALA HB3 H 0.591 -1.542 -10.894 1.00 . A A . 19 ALA HB3 1 1 18 21069 1 1 19 ALA N N 2.692 1.092 -10.821 1.00 . A A . 19 ALA N 1 1 18 21070 1 1 19 ALA O O -0.658 1.544 -11.028 1.00 . A A . 19 ALA O 1 1 18 21071 1 1 20 HIS C C -0.926 3.226 -8.834 1.00 . A A . 20 HIS C 1 1 18 21072 1 1 20 HIS CA C -0.724 1.823 -8.271 1.00 . A A . 20 HIS CA 1 1 18 21073 1 1 20 HIS CB C -0.359 1.895 -6.781 1.00 . A A . 20 HIS CB 1 1 18 21074 1 1 20 HIS CD2 C -1.604 0.346 -5.134 1.00 . A A . 20 HIS CD2 1 1 18 21075 1 1 20 HIS CE1 C -0.195 -1.322 -5.057 1.00 . A A . 20 HIS CE1 1 1 18 21076 1 1 20 HIS CG C -0.575 0.617 -6.003 1.00 . A A . 20 HIS CG 1 1 18 21077 1 1 20 HIS H H 1.167 0.870 -8.550 1.00 . A A . 20 HIS H 1 1 18 21078 1 1 20 HIS HA H -1.659 1.268 -8.379 1.00 . A A . 20 HIS HA 1 1 18 21079 1 1 20 HIS HB2 H 0.679 2.209 -6.670 1.00 . A A . 20 HIS HB2 1 1 18 21080 1 1 20 HIS HB3 H -0.980 2.663 -6.327 1.00 . A A . 20 HIS HB3 1 1 18 21081 1 1 20 HIS HD1 H 1.165 -0.520 -6.466 1.00 . A A . 20 HIS HD1 1 1 18 21082 1 1 20 HIS HD2 H -2.444 0.986 -4.928 1.00 . A A . 20 HIS HD2 1 1 18 21083 1 1 20 HIS HE1 H 0.278 -2.255 -4.807 1.00 . A A . 20 HIS HE1 1 1 18 21084 1 1 20 HIS N N 0.325 1.163 -9.037 1.00 . A A . 20 HIS N 1 1 18 21085 1 1 20 HIS ND1 N 0.302 -0.437 -5.939 1.00 . A A . 20 HIS ND1 1 1 18 21086 1 1 20 HIS NE2 N -1.359 -0.896 -4.534 1.00 . A A . 20 HIS NE2 1 1 18 21087 1 1 20 HIS O O -2.054 3.674 -9.025 1.00 . A A . 20 HIS O 1 1 18 21088 1 1 21 ALA C C -0.695 5.368 -10.917 1.00 . A A . 21 ALA C 1 1 18 21089 1 1 21 ALA CA C 0.128 5.275 -9.629 1.00 . A A . 21 ALA CA 1 1 18 21090 1 1 21 ALA CB C 1.536 5.856 -9.788 1.00 . A A . 21 ALA CB 1 1 18 21091 1 1 21 ALA H H 1.071 3.414 -9.041 1.00 . A A . 21 ALA H 1 1 18 21092 1 1 21 ALA HA H -0.383 5.885 -8.884 1.00 . A A . 21 ALA HA 1 1 18 21093 1 1 21 ALA HB1 H 1.445 6.935 -9.913 1.00 . A A . 21 ALA HB1 1 1 18 21094 1 1 21 ALA HB2 H 2.138 5.630 -8.907 1.00 . A A . 21 ALA HB2 1 1 18 21095 1 1 21 ALA HB3 H 2.038 5.452 -10.662 1.00 . A A . 21 ALA HB3 1 1 18 21096 1 1 21 ALA N N 0.180 3.910 -9.125 1.00 . A A . 21 ALA N 1 1 18 21097 1 1 21 ALA O O -1.629 6.147 -10.995 1.00 . A A . 21 ALA O 1 1 18 21098 1 1 22 GLU C C -2.439 4.067 -13.205 1.00 . A A . 22 GLU C 1 1 18 21099 1 1 22 GLU CA C -1.029 4.660 -13.238 1.00 . A A . 22 GLU CA 1 1 18 21100 1 1 22 GLU CB C -0.129 4.076 -14.336 1.00 . A A . 22 GLU CB 1 1 18 21101 1 1 22 GLU CD C 1.269 2.137 -15.183 1.00 . A A . 22 GLU CD 1 1 18 21102 1 1 22 GLU CG C 0.194 2.583 -14.198 1.00 . A A . 22 GLU CG 1 1 18 21103 1 1 22 GLU H H 0.303 3.861 -11.745 1.00 . A A . 22 GLU H 1 1 18 21104 1 1 22 GLU HA H -1.141 5.719 -13.478 1.00 . A A . 22 GLU HA 1 1 18 21105 1 1 22 GLU HB2 H -0.607 4.229 -15.304 1.00 . A A . 22 GLU HB2 1 1 18 21106 1 1 22 GLU HB3 H 0.807 4.637 -14.326 1.00 . A A . 22 GLU HB3 1 1 18 21107 1 1 22 GLU HG2 H 0.567 2.375 -13.203 1.00 . A A . 22 GLU HG2 1 1 18 21108 1 1 22 GLU HG3 H -0.706 1.993 -14.369 1.00 . A A . 22 GLU HG3 1 1 18 21109 1 1 22 GLU N N -0.387 4.568 -11.930 1.00 . A A . 22 GLU N 1 1 18 21110 1 1 22 GLU O O -3.369 4.651 -13.756 1.00 . A A . 22 GLU O 1 1 18 21111 1 1 22 GLU OE1 O 2.240 2.905 -15.364 1.00 . A A . 22 GLU OE1 1 1 18 21112 1 1 22 GLU OE2 O 1.117 1.025 -15.728 1.00 . A A . 22 GLU OE2 1 1 18 21113 1 1 23 LYS C C -4.866 3.279 -11.646 1.00 . A A . 23 LYS C 1 1 18 21114 1 1 23 LYS CA C -3.896 2.294 -12.303 1.00 . A A . 23 LYS CA 1 1 18 21115 1 1 23 LYS CB C -3.684 1.077 -11.391 1.00 . A A . 23 LYS CB 1 1 18 21116 1 1 23 LYS CD C -3.636 -0.986 -12.869 1.00 . A A . 23 LYS CD 1 1 18 21117 1 1 23 LYS CE C -4.328 -2.010 -11.948 1.00 . A A . 23 LYS CE 1 1 18 21118 1 1 23 LYS CG C -2.809 -0.003 -12.048 1.00 . A A . 23 LYS CG 1 1 18 21119 1 1 23 LYS H H -1.797 2.438 -12.167 1.00 . A A . 23 LYS H 1 1 18 21120 1 1 23 LYS HA H -4.320 1.975 -13.256 1.00 . A A . 23 LYS HA 1 1 18 21121 1 1 23 LYS HB2 H -3.188 1.413 -10.479 1.00 . A A . 23 LYS HB2 1 1 18 21122 1 1 23 LYS HB3 H -4.652 0.669 -11.105 1.00 . A A . 23 LYS HB3 1 1 18 21123 1 1 23 LYS HD2 H -4.344 -0.386 -13.441 1.00 . A A . 23 LYS HD2 1 1 18 21124 1 1 23 LYS HD3 H -2.947 -1.481 -13.552 1.00 . A A . 23 LYS HD3 1 1 18 21125 1 1 23 LYS HE2 H -3.591 -2.475 -11.291 1.00 . A A . 23 LYS HE2 1 1 18 21126 1 1 23 LYS HE3 H -5.071 -1.512 -11.323 1.00 . A A . 23 LYS HE3 1 1 18 21127 1 1 23 LYS HG2 H -2.077 0.453 -12.717 1.00 . A A . 23 LYS HG2 1 1 18 21128 1 1 23 LYS HG3 H -2.258 -0.542 -11.275 1.00 . A A . 23 LYS HG3 1 1 18 21129 1 1 23 LYS HZ1 H -5.682 -2.758 -13.336 1.00 . A A . 23 LYS HZ1 1 1 18 21130 1 1 23 LYS HZ2 H -4.357 -3.745 -13.083 1.00 . A A . 23 LYS HZ2 1 1 18 21131 1 1 23 LYS HZ3 H -5.528 -3.641 -11.967 1.00 . A A . 23 LYS HZ3 1 1 18 21132 1 1 23 LYS N N -2.607 2.916 -12.546 1.00 . A A . 23 LYS N 1 1 18 21133 1 1 23 LYS NZ N -5.013 -3.101 -12.669 1.00 . A A . 23 LYS NZ 1 1 18 21134 1 1 23 LYS O O -6.012 3.396 -12.073 1.00 . A A . 23 LYS O 1 1 18 21135 1 1 24 LEU C C -5.187 6.223 -10.080 1.00 . A A . 24 LEU C 1 1 18 21136 1 1 24 LEU CA C -5.269 4.741 -9.709 1.00 . A A . 24 LEU CA 1 1 18 21137 1 1 24 LEU CB C -4.904 4.511 -8.237 1.00 . A A . 24 LEU CB 1 1 18 21138 1 1 24 LEU CD1 C -4.231 2.888 -6.466 1.00 . A A . 24 LEU CD1 1 1 18 21139 1 1 24 LEU CD2 C -6.302 2.427 -7.846 1.00 . A A . 24 LEU CD2 1 1 18 21140 1 1 24 LEU CG C -4.888 3.022 -7.842 1.00 . A A . 24 LEU CG 1 1 18 21141 1 1 24 LEU H H -3.462 3.757 -10.270 1.00 . A A . 24 LEU H 1 1 18 21142 1 1 24 LEU HA H -6.310 4.440 -9.829 1.00 . A A . 24 LEU HA 1 1 18 21143 1 1 24 LEU HB2 H -3.926 4.948 -8.036 1.00 . A A . 24 LEU HB2 1 1 18 21144 1 1 24 LEU HB3 H -5.633 5.034 -7.620 1.00 . A A . 24 LEU HB3 1 1 18 21145 1 1 24 LEU HD11 H -4.329 1.867 -6.099 1.00 . A A . 24 LEU HD11 1 1 18 21146 1 1 24 LEU HD12 H -3.176 3.137 -6.546 1.00 . A A . 24 LEU HD12 1 1 18 21147 1 1 24 LEU HD13 H -4.687 3.578 -5.764 1.00 . A A . 24 LEU HD13 1 1 18 21148 1 1 24 LEU HD21 H -6.669 2.356 -8.870 1.00 . A A . 24 LEU HD21 1 1 18 21149 1 1 24 LEU HD22 H -6.282 1.425 -7.417 1.00 . A A . 24 LEU HD22 1 1 18 21150 1 1 24 LEU HD23 H -6.981 3.052 -7.268 1.00 . A A . 24 LEU HD23 1 1 18 21151 1 1 24 LEU HG H -4.280 2.437 -8.530 1.00 . A A . 24 LEU HG 1 1 18 21152 1 1 24 LEU N N -4.417 3.931 -10.571 1.00 . A A . 24 LEU N 1 1 18 21153 1 1 24 LEU O O -6.207 6.831 -10.394 1.00 . A A . 24 LEU O 1 1 18 21154 1 1 25 GLY C C -2.534 8.700 -9.617 1.00 . A A . 25 GLY C 1 1 18 21155 1 1 25 GLY CA C -3.753 8.198 -10.380 1.00 . A A . 25 GLY CA 1 1 18 21156 1 1 25 GLY H H -3.135 6.261 -9.915 1.00 . A A . 25 GLY H 1 1 18 21157 1 1 25 GLY HA2 H -3.539 8.259 -11.447 1.00 . A A . 25 GLY HA2 1 1 18 21158 1 1 25 GLY HA3 H -4.616 8.823 -10.143 1.00 . A A . 25 GLY HA3 1 1 18 21159 1 1 25 GLY N N -3.987 6.810 -10.038 1.00 . A A . 25 GLY N 1 1 18 21160 1 1 25 GLY O O -1.438 8.762 -10.169 1.00 . A A . 25 GLY O 1 1 18 21161 1 1 26 CYS C C -2.332 9.990 -6.133 1.00 . A A . 26 CYS C 1 1 18 21162 1 1 26 CYS CA C -1.692 9.625 -7.470 1.00 . A A . 26 CYS CA 1 1 18 21163 1 1 26 CYS CB C -1.044 10.865 -8.074 1.00 . A A . 26 CYS CB 1 1 18 21164 1 1 26 CYS H H -3.680 8.938 -7.984 1.00 . A A . 26 CYS H 1 1 18 21165 1 1 26 CYS HA H -0.950 8.852 -7.288 1.00 . A A . 26 CYS HA 1 1 18 21166 1 1 26 CYS HB2 H -1.079 10.888 -9.160 1.00 . A A . 26 CYS HB2 1 1 18 21167 1 1 26 CYS HB3 H -1.551 11.767 -7.732 1.00 . A A . 26 CYS HB3 1 1 18 21168 1 1 26 CYS N N -2.728 9.061 -8.348 1.00 . A A . 26 CYS N 1 1 18 21169 1 1 26 CYS O O -1.903 9.548 -5.065 1.00 . A A . 26 CYS O 1 1 18 21170 1 1 26 CYS SG S 0.693 10.987 -7.581 1.00 . A A . 26 CYS SG 1 1 18 21171 1 1 27 ASP C C -4.670 10.024 -4.285 1.00 . A A . 27 ASP C 1 1 18 21172 1 1 27 ASP CA C -4.456 11.110 -5.329 1.00 . A A . 27 ASP CA 1 1 18 21173 1 1 27 ASP CB C -5.748 11.331 -6.138 1.00 . A A . 27 ASP CB 1 1 18 21174 1 1 27 ASP CG C -6.186 10.121 -6.979 1.00 . A A . 27 ASP CG 1 1 18 21175 1 1 27 ASP H H -3.768 10.716 -7.227 1.00 . A A . 27 ASP H 1 1 18 21176 1 1 27 ASP HA H -4.179 12.039 -4.829 1.00 . A A . 27 ASP HA 1 1 18 21177 1 1 27 ASP HB2 H -6.546 11.580 -5.437 1.00 . A A . 27 ASP HB2 1 1 18 21178 1 1 27 ASP HB3 H -5.610 12.181 -6.806 1.00 . A A . 27 ASP HB3 1 1 18 21179 1 1 27 ASP N N -3.420 10.745 -6.278 1.00 . A A . 27 ASP N 1 1 18 21180 1 1 27 ASP O O -4.751 10.299 -3.091 1.00 . A A . 27 ASP O 1 1 18 21181 1 1 27 ASP OD1 O -5.287 9.343 -7.396 1.00 . A A . 27 ASP OD1 1 1 18 21182 1 1 27 ASP OD2 O -7.409 9.992 -7.181 1.00 . A A . 27 ASP OD2 1 1 18 21183 1 1 28 ALA C C -4.026 7.586 -2.724 1.00 . A A . 28 ALA C 1 1 18 21184 1 1 28 ALA CA C -4.872 7.567 -4.000 1.00 . A A . 28 ALA CA 1 1 18 21185 1 1 28 ALA CB C -4.462 6.404 -4.902 1.00 . A A . 28 ALA CB 1 1 18 21186 1 1 28 ALA H H -4.743 8.723 -5.788 1.00 . A A . 28 ALA H 1 1 18 21187 1 1 28 ALA HA H -5.921 7.455 -3.733 1.00 . A A . 28 ALA HA 1 1 18 21188 1 1 28 ALA HB1 H -4.470 5.477 -4.332 1.00 . A A . 28 ALA HB1 1 1 18 21189 1 1 28 ALA HB2 H -5.160 6.333 -5.737 1.00 . A A . 28 ALA HB2 1 1 18 21190 1 1 28 ALA HB3 H -3.460 6.580 -5.295 1.00 . A A . 28 ALA HB3 1 1 18 21191 1 1 28 ALA N N -4.751 8.786 -4.771 1.00 . A A . 28 ALA N 1 1 18 21192 1 1 28 ALA O O -4.484 7.126 -1.680 1.00 . A A . 28 ALA O 1 1 18 21193 1 1 29 CYS C C -1.162 9.399 -1.476 1.00 . A A . 29 CYS C 1 1 18 21194 1 1 29 CYS CA C -1.801 8.034 -1.752 1.00 . A A . 29 CYS CA 1 1 18 21195 1 1 29 CYS CB C -0.741 7.025 -2.098 1.00 . A A . 29 CYS CB 1 1 18 21196 1 1 29 CYS H H -2.506 8.446 -3.731 1.00 . A A . 29 CYS H 1 1 18 21197 1 1 29 CYS HA H -2.274 7.710 -0.823 1.00 . A A . 29 CYS HA 1 1 18 21198 1 1 29 CYS HB2 H -0.174 7.412 -2.945 1.00 . A A . 29 CYS HB2 1 1 18 21199 1 1 29 CYS HB3 H -0.068 6.892 -1.249 1.00 . A A . 29 CYS HB3 1 1 18 21200 1 1 29 CYS N N -2.788 8.080 -2.827 1.00 . A A . 29 CYS N 1 1 18 21201 1 1 29 CYS O O -0.797 9.672 -0.334 1.00 . A A . 29 CYS O 1 1 18 21202 1 1 29 CYS SG S -1.494 5.423 -2.533 1.00 . A A . 29 CYS SG 1 1 18 21203 1 1 30 HIS C C -1.190 12.612 -2.987 1.00 . A A . 30 HIS C 1 1 18 21204 1 1 30 HIS CA C -0.303 11.526 -2.382 1.00 . A A . 30 HIS CA 1 1 18 21205 1 1 30 HIS CB C 1.019 11.508 -3.158 1.00 . A A . 30 HIS CB 1 1 18 21206 1 1 30 HIS CD2 C 2.253 9.371 -3.683 1.00 . A A . 30 HIS CD2 1 1 18 21207 1 1 30 HIS CE1 C 3.926 9.505 -2.294 1.00 . A A . 30 HIS CE1 1 1 18 21208 1 1 30 HIS CG C 1.982 10.396 -2.829 1.00 . A A . 30 HIS CG 1 1 18 21209 1 1 30 HIS H H -1.359 10.018 -3.414 1.00 . A A . 30 HIS H 1 1 18 21210 1 1 30 HIS HA H -0.095 11.770 -1.338 1.00 . A A . 30 HIS HA 1 1 18 21211 1 1 30 HIS HB2 H 0.773 11.433 -4.220 1.00 . A A . 30 HIS HB2 1 1 18 21212 1 1 30 HIS HB3 H 1.514 12.469 -3.016 1.00 . A A . 30 HIS HB3 1 1 18 21213 1 1 30 HIS HD1 H 3.206 11.217 -1.297 1.00 . A A . 30 HIS HD1 1 1 18 21214 1 1 30 HIS HD2 H 1.705 9.112 -4.569 1.00 . A A . 30 HIS HD2 1 1 18 21215 1 1 30 HIS HE1 H 4.901 9.324 -1.868 1.00 . A A . 30 HIS HE1 1 1 18 21216 1 1 30 HIS N N -0.979 10.242 -2.498 1.00 . A A . 30 HIS N 1 1 18 21217 1 1 30 HIS ND1 N 3.049 10.478 -1.959 1.00 . A A . 30 HIS ND1 1 1 18 21218 1 1 30 HIS NE2 N 3.484 8.821 -3.352 1.00 . A A . 30 HIS NE2 1 1 18 21219 1 1 30 HIS O O -1.643 12.460 -4.118 1.00 . A A . 30 HIS O 1 1 18 21220 1 1 31 GLU C C -1.127 15.819 -3.509 1.00 . A A . 31 GLU C 1 1 18 21221 1 1 31 GLU CA C -2.098 14.878 -2.781 1.00 . A A . 31 GLU CA 1 1 18 21222 1 1 31 GLU CB C -2.846 15.575 -1.632 1.00 . A A . 31 GLU CB 1 1 18 21223 1 1 31 GLU CD C -4.639 15.405 0.117 1.00 . A A . 31 GLU CD 1 1 18 21224 1 1 31 GLU CG C -3.854 14.652 -0.952 1.00 . A A . 31 GLU CG 1 1 18 21225 1 1 31 GLU H H -0.997 13.772 -1.337 1.00 . A A . 31 GLU H 1 1 18 21226 1 1 31 GLU HA H -2.848 14.559 -3.507 1.00 . A A . 31 GLU HA 1 1 18 21227 1 1 31 GLU HB2 H -2.144 15.924 -0.871 1.00 . A A . 31 GLU HB2 1 1 18 21228 1 1 31 GLU HB3 H -3.419 16.420 -2.021 1.00 . A A . 31 GLU HB3 1 1 18 21229 1 1 31 GLU HG2 H -4.541 14.263 -1.705 1.00 . A A . 31 GLU HG2 1 1 18 21230 1 1 31 GLU HG3 H -3.328 13.829 -0.477 1.00 . A A . 31 GLU HG3 1 1 18 21231 1 1 31 GLU N N -1.382 13.720 -2.268 1.00 . A A . 31 GLU N 1 1 18 21232 1 1 31 GLU O O -0.445 15.416 -4.448 1.00 . A A . 31 GLU O 1 1 18 21233 1 1 31 GLU OE1 O -3.988 16.188 0.844 1.00 . A A . 31 GLU OE1 1 1 18 21234 1 1 31 GLU OE2 O -5.870 15.204 0.174 1.00 . A A . 31 GLU OE2 1 1 18 21235 1 1 32 GLY C C 0.981 17.911 -4.234 1.00 . A A . 32 GLY C 1 1 18 21236 1 1 32 GLY CA C -0.446 18.193 -3.770 1.00 . A A . 32 GLY CA 1 1 18 21237 1 1 32 GLY H H -1.638 17.295 -2.260 1.00 . A A . 32 GLY H 1 1 18 21238 1 1 32 GLY HA2 H -1.054 18.436 -4.643 1.00 . A A . 32 GLY HA2 1 1 18 21239 1 1 32 GLY HA3 H -0.429 19.060 -3.110 1.00 . A A . 32 GLY HA3 1 1 18 21240 1 1 32 GLY N N -1.073 17.080 -3.068 1.00 . A A . 32 GLY N 1 1 18 21241 1 1 32 GLY O O 1.341 18.246 -5.360 1.00 . A A . 32 GLY O 1 1 18 21242 1 1 33 THR C C 3.405 15.551 -2.967 1.00 . A A . 33 THR C 1 1 18 21243 1 1 33 THR CA C 3.130 16.846 -3.728 1.00 . A A . 33 THR CA 1 1 18 21244 1 1 33 THR CB C 4.196 17.923 -3.452 1.00 . A A . 33 THR CB 1 1 18 21245 1 1 33 THR CG2 C 4.211 18.432 -2.005 1.00 . A A . 33 THR CG2 1 1 18 21246 1 1 33 THR H H 1.452 17.037 -2.460 1.00 . A A . 33 THR H 1 1 18 21247 1 1 33 THR HA H 3.133 16.653 -4.800 1.00 . A A . 33 THR HA 1 1 18 21248 1 1 33 THR HB H 3.978 18.774 -4.099 1.00 . A A . 33 THR HB 1 1 18 21249 1 1 33 THR HG1 H 5.763 16.735 -3.204 1.00 . A A . 33 THR HG1 1 1 18 21250 1 1 33 THR HG21 H 3.238 18.847 -1.740 1.00 . A A . 33 THR HG21 1 1 18 21251 1 1 33 THR HG22 H 4.459 17.628 -1.313 1.00 . A A . 33 THR HG22 1 1 18 21252 1 1 33 THR HG23 H 4.959 19.219 -1.911 1.00 . A A . 33 THR HG23 1 1 18 21253 1 1 33 THR N N 1.802 17.315 -3.366 1.00 . A A . 33 THR N 1 1 18 21254 1 1 33 THR O O 3.066 15.460 -1.786 1.00 . A A . 33 THR O 1 1 18 21255 1 1 33 THR OG1 O 5.490 17.456 -3.793 1.00 . A A . 33 THR OG1 1 1 18 21256 1 1 34 PRO C C 6.036 13.912 -2.419 1.00 . A A . 34 PRO C 1 1 18 21257 1 1 34 PRO CA C 4.663 13.452 -2.923 1.00 . A A . 34 PRO CA 1 1 18 21258 1 1 34 PRO CB C 4.768 12.359 -3.979 1.00 . A A . 34 PRO CB 1 1 18 21259 1 1 34 PRO CD C 4.253 14.458 -5.042 1.00 . A A . 34 PRO CD 1 1 18 21260 1 1 34 PRO CG C 5.013 13.150 -5.257 1.00 . A A . 34 PRO CG 1 1 18 21261 1 1 34 PRO HA H 4.067 13.084 -2.092 1.00 . A A . 34 PRO HA 1 1 18 21262 1 1 34 PRO HB2 H 5.543 11.629 -3.752 1.00 . A A . 34 PRO HB2 1 1 18 21263 1 1 34 PRO HB3 H 3.811 11.858 -4.090 1.00 . A A . 34 PRO HB3 1 1 18 21264 1 1 34 PRO HD2 H 4.849 15.293 -5.415 1.00 . A A . 34 PRO HD2 1 1 18 21265 1 1 34 PRO HD3 H 3.295 14.413 -5.561 1.00 . A A . 34 PRO HD3 1 1 18 21266 1 1 34 PRO HG2 H 6.079 13.345 -5.356 1.00 . A A . 34 PRO HG2 1 1 18 21267 1 1 34 PRO HG3 H 4.620 12.614 -6.116 1.00 . A A . 34 PRO HG3 1 1 18 21268 1 1 34 PRO N N 4.021 14.551 -3.610 1.00 . A A . 34 PRO N 1 1 18 21269 1 1 34 PRO O O 6.361 15.099 -2.497 1.00 . A A . 34 PRO O 1 1 18 21270 1 1 35 ALA C C 8.793 11.836 -0.942 1.00 . A A . 35 ALA C 1 1 18 21271 1 1 35 ALA CA C 8.187 13.165 -1.403 1.00 . A A . 35 ALA CA 1 1 18 21272 1 1 35 ALA CB C 8.175 14.142 -0.218 1.00 . A A . 35 ALA CB 1 1 18 21273 1 1 35 ALA H H 6.504 12.010 -1.972 1.00 . A A . 35 ALA H 1 1 18 21274 1 1 35 ALA HA H 8.814 13.579 -2.194 1.00 . A A . 35 ALA HA 1 1 18 21275 1 1 35 ALA HB1 H 7.882 15.141 -0.535 1.00 . A A . 35 ALA HB1 1 1 18 21276 1 1 35 ALA HB2 H 7.484 13.791 0.550 1.00 . A A . 35 ALA HB2 1 1 18 21277 1 1 35 ALA HB3 H 9.177 14.201 0.208 1.00 . A A . 35 ALA HB3 1 1 18 21278 1 1 35 ALA N N 6.835 12.961 -1.923 1.00 . A A . 35 ALA N 1 1 18 21279 1 1 35 ALA O O 9.990 11.621 -1.088 1.00 . A A . 35 ALA O 1 1 18 21280 1 1 36 LYS C C 6.956 9.614 1.307 1.00 . A A . 36 LYS C 1 1 18 21281 1 1 36 LYS CA C 8.210 9.784 0.438 1.00 . A A . 36 LYS CA 1 1 18 21282 1 1 36 LYS CB C 9.503 9.870 1.277 1.00 . A A . 36 LYS CB 1 1 18 21283 1 1 36 LYS CD C 9.748 10.694 3.710 1.00 . A A . 36 LYS CD 1 1 18 21284 1 1 36 LYS CE C 8.552 9.865 4.201 1.00 . A A . 36 LYS CE 1 1 18 21285 1 1 36 LYS CG C 9.565 11.081 2.230 1.00 . A A . 36 LYS CG 1 1 18 21286 1 1 36 LYS H H 6.980 11.268 -0.277 1.00 . A A . 36 LYS H 1 1 18 21287 1 1 36 LYS HA H 8.296 8.947 -0.246 1.00 . A A . 36 LYS HA 1 1 18 21288 1 1 36 LYS HB2 H 9.618 8.939 1.830 1.00 . A A . 36 LYS HB2 1 1 18 21289 1 1 36 LYS HB3 H 10.360 9.908 0.606 1.00 . A A . 36 LYS HB3 1 1 18 21290 1 1 36 LYS HD2 H 10.674 10.124 3.818 1.00 . A A . 36 LYS HD2 1 1 18 21291 1 1 36 LYS HD3 H 9.831 11.617 4.288 1.00 . A A . 36 LYS HD3 1 1 18 21292 1 1 36 LYS HE2 H 7.628 10.372 3.918 1.00 . A A . 36 LYS HE2 1 1 18 21293 1 1 36 LYS HE3 H 8.597 8.881 3.737 1.00 . A A . 36 LYS HE3 1 1 18 21294 1 1 36 LYS HG2 H 10.416 11.695 1.925 1.00 . A A . 36 LYS HG2 1 1 18 21295 1 1 36 LYS HG3 H 8.671 11.697 2.126 1.00 . A A . 36 LYS HG3 1 1 18 21296 1 1 36 LYS HZ1 H 8.452 10.509 6.165 1.00 . A A . 36 LYS HZ1 1 1 18 21297 1 1 36 LYS HZ2 H 7.675 9.086 5.850 1.00 . A A . 36 LYS HZ2 1 1 18 21298 1 1 36 LYS HZ3 H 9.321 9.111 5.960 1.00 . A A . 36 LYS HZ3 1 1 18 21299 1 1 36 LYS N N 7.950 10.990 -0.342 1.00 . A A . 36 LYS N 1 1 18 21300 1 1 36 LYS NZ N 8.514 9.638 5.659 1.00 . A A . 36 LYS NZ 1 1 18 21301 1 1 36 LYS O O 6.162 10.556 1.364 1.00 . A A . 36 LYS O 1 1 18 21302 1 1 37 ILE C C 6.219 7.652 4.231 1.00 . A A . 37 ILE C 1 1 18 21303 1 1 37 ILE CA C 5.689 8.366 2.993 1.00 . A A . 37 ILE CA 1 1 18 21304 1 1 37 ILE CB C 4.418 7.675 2.452 1.00 . A A . 37 ILE CB 1 1 18 21305 1 1 37 ILE CD1 C 2.710 7.628 0.530 1.00 . A A . 37 ILE CD1 1 1 18 21306 1 1 37 ILE CG1 C 4.061 8.152 1.038 1.00 . A A . 37 ILE CG1 1 1 18 21307 1 1 37 ILE CG2 C 3.260 7.933 3.427 1.00 . A A . 37 ILE CG2 1 1 18 21308 1 1 37 ILE H H 7.446 7.718 1.910 1.00 . A A . 37 ILE H 1 1 18 21309 1 1 37 ILE HA H 5.402 9.360 3.324 1.00 . A A . 37 ILE HA 1 1 18 21310 1 1 37 ILE HB H 4.589 6.601 2.395 1.00 . A A . 37 ILE HB 1 1 18 21311 1 1 37 ILE HD11 H 1.893 8.149 1.030 1.00 . A A . 37 ILE HD11 1 1 18 21312 1 1 37 ILE HD12 H 2.623 7.811 -0.540 1.00 . A A . 37 ILE HD12 1 1 18 21313 1 1 37 ILE HD13 H 2.619 6.560 0.711 1.00 . A A . 37 ILE HD13 1 1 18 21314 1 1 37 ILE HG12 H 4.032 9.239 1.008 1.00 . A A . 37 ILE HG12 1 1 18 21315 1 1 37 ILE HG13 H 4.848 7.790 0.379 1.00 . A A . 37 ILE HG13 1 1 18 21316 1 1 37 ILE HG21 H 3.012 8.996 3.439 1.00 . A A . 37 ILE HG21 1 1 18 21317 1 1 37 ILE HG22 H 2.379 7.368 3.127 1.00 . A A . 37 ILE HG22 1 1 18 21318 1 1 37 ILE HG23 H 3.532 7.621 4.434 1.00 . A A . 37 ILE HG23 1 1 18 21319 1 1 37 ILE N N 6.757 8.482 1.992 1.00 . A A . 37 ILE N 1 1 18 21320 1 1 37 ILE O O 6.249 8.222 5.325 1.00 . A A . 37 ILE O 1 1 18 21321 1 1 38 ALA C C 5.981 4.784 5.614 1.00 . A A . 38 ALA C 1 1 18 21322 1 1 38 ALA CA C 7.182 5.464 4.972 1.00 . A A . 38 ALA CA 1 1 18 21323 1 1 38 ALA CB C 8.170 6.075 5.969 1.00 . A A . 38 ALA CB 1 1 18 21324 1 1 38 ALA H H 6.827 6.218 3.026 1.00 . A A . 38 ALA H 1 1 18 21325 1 1 38 ALA HA H 7.738 4.707 4.418 1.00 . A A . 38 ALA HA 1 1 18 21326 1 1 38 ALA HB1 H 8.930 6.617 5.407 1.00 . A A . 38 ALA HB1 1 1 18 21327 1 1 38 ALA HB2 H 7.671 6.742 6.670 1.00 . A A . 38 ALA HB2 1 1 18 21328 1 1 38 ALA HB3 H 8.646 5.273 6.533 1.00 . A A . 38 ALA HB3 1 1 18 21329 1 1 38 ALA N N 6.698 6.436 4.007 1.00 . A A . 38 ALA N 1 1 18 21330 1 1 38 ALA O O 5.604 5.079 6.744 1.00 . A A . 38 ALA O 1 1 18 21331 1 1 39 ILE C C 4.702 1.810 5.849 1.00 . A A . 39 ILE C 1 1 18 21332 1 1 39 ILE CA C 4.207 3.123 5.274 1.00 . A A . 39 ILE CA 1 1 18 21333 1 1 39 ILE CB C 3.227 2.935 4.120 1.00 . A A . 39 ILE CB 1 1 18 21334 1 1 39 ILE CD1 C 1.886 5.017 4.864 1.00 . A A . 39 ILE CD1 1 1 18 21335 1 1 39 ILE CG1 C 2.610 4.281 3.734 1.00 . A A . 39 ILE CG1 1 1 18 21336 1 1 39 ILE CG2 C 2.146 1.926 4.505 1.00 . A A . 39 ILE CG2 1 1 18 21337 1 1 39 ILE H H 5.742 3.685 3.935 1.00 . A A . 39 ILE H 1 1 18 21338 1 1 39 ILE HA H 3.676 3.633 6.083 1.00 . A A . 39 ILE HA 1 1 18 21339 1 1 39 ILE HB H 3.757 2.550 3.252 1.00 . A A . 39 ILE HB 1 1 18 21340 1 1 39 ILE HD11 H 1.275 4.328 5.443 1.00 . A A . 39 ILE HD11 1 1 18 21341 1 1 39 ILE HD12 H 2.608 5.502 5.521 1.00 . A A . 39 ILE HD12 1 1 18 21342 1 1 39 ILE HD13 H 1.238 5.783 4.440 1.00 . A A . 39 ILE HD13 1 1 18 21343 1 1 39 ILE HG12 H 3.386 4.928 3.334 1.00 . A A . 39 ILE HG12 1 1 18 21344 1 1 39 ILE HG13 H 1.901 4.064 2.950 1.00 . A A . 39 ILE HG13 1 1 18 21345 1 1 39 ILE HG21 H 2.529 0.911 4.405 1.00 . A A . 39 ILE HG21 1 1 18 21346 1 1 39 ILE HG22 H 1.853 2.108 5.534 1.00 . A A . 39 ILE HG22 1 1 18 21347 1 1 39 ILE HG23 H 1.272 2.024 3.869 1.00 . A A . 39 ILE HG23 1 1 18 21348 1 1 39 ILE N N 5.351 3.898 4.840 1.00 . A A . 39 ILE N 1 1 18 21349 1 1 39 ILE O O 5.013 0.858 5.137 1.00 . A A . 39 ILE O 1 1 18 21350 1 1 40 ASP C C 4.113 0.226 8.875 1.00 . A A . 40 ASP C 1 1 18 21351 1 1 40 ASP CA C 5.254 0.768 8.022 1.00 . A A . 40 ASP CA 1 1 18 21352 1 1 40 ASP CB C 6.352 1.363 8.916 1.00 . A A . 40 ASP CB 1 1 18 21353 1 1 40 ASP CG C 5.813 2.348 9.953 1.00 . A A . 40 ASP CG 1 1 18 21354 1 1 40 ASP H H 4.441 2.653 7.644 1.00 . A A . 40 ASP H 1 1 18 21355 1 1 40 ASP HA H 5.688 -0.036 7.427 1.00 . A A . 40 ASP HA 1 1 18 21356 1 1 40 ASP HB2 H 6.878 0.563 9.430 1.00 . A A . 40 ASP HB2 1 1 18 21357 1 1 40 ASP HB3 H 7.082 1.861 8.290 1.00 . A A . 40 ASP HB3 1 1 18 21358 1 1 40 ASP N N 4.754 1.816 7.168 1.00 . A A . 40 ASP N 1 1 18 21359 1 1 40 ASP O O 2.941 0.580 8.711 1.00 . A A . 40 ASP O 1 1 18 21360 1 1 40 ASP OD1 O 4.834 3.054 9.613 1.00 . A A . 40 ASP OD1 1 1 18 21361 1 1 40 ASP OD2 O 6.401 2.376 11.058 1.00 . A A . 40 ASP OD2 1 1 18 21362 1 1 41 LYS C C 2.948 -0.029 11.500 1.00 . A A . 41 LYS C 1 1 18 21363 1 1 41 LYS CA C 3.813 -1.147 10.943 1.00 . A A . 41 LYS CA 1 1 18 21364 1 1 41 LYS CB C 4.836 -1.693 11.955 1.00 . A A . 41 LYS CB 1 1 18 21365 1 1 41 LYS CD C 6.928 -0.957 13.314 1.00 . A A . 41 LYS CD 1 1 18 21366 1 1 41 LYS CE C 7.967 0.177 13.278 1.00 . A A . 41 LYS CE 1 1 18 21367 1 1 41 LYS CG C 5.985 -0.687 12.144 1.00 . A A . 41 LYS CG 1 1 18 21368 1 1 41 LYS H H 5.442 -1.004 9.680 1.00 . A A . 41 LYS H 1 1 18 21369 1 1 41 LYS HA H 3.189 -1.977 10.608 1.00 . A A . 41 LYS HA 1 1 18 21370 1 1 41 LYS HB2 H 4.335 -1.900 12.898 1.00 . A A . 41 LYS HB2 1 1 18 21371 1 1 41 LYS HB3 H 5.235 -2.636 11.567 1.00 . A A . 41 LYS HB3 1 1 18 21372 1 1 41 LYS HD2 H 6.361 -0.949 14.247 1.00 . A A . 41 LYS HD2 1 1 18 21373 1 1 41 LYS HD3 H 7.396 -1.933 13.168 1.00 . A A . 41 LYS HD3 1 1 18 21374 1 1 41 LYS HE2 H 8.459 0.187 12.302 1.00 . A A . 41 LYS HE2 1 1 18 21375 1 1 41 LYS HE3 H 7.460 1.138 13.400 1.00 . A A . 41 LYS HE3 1 1 18 21376 1 1 41 LYS HG2 H 6.607 -0.697 11.250 1.00 . A A . 41 LYS HG2 1 1 18 21377 1 1 41 LYS HG3 H 5.575 0.316 12.264 1.00 . A A . 41 LYS HG3 1 1 18 21378 1 1 41 LYS HZ1 H 8.574 0.055 15.236 1.00 . A A . 41 LYS HZ1 1 1 18 21379 1 1 41 LYS HZ2 H 9.503 -0.827 14.193 1.00 . A A . 41 LYS HZ2 1 1 18 21380 1 1 41 LYS HZ3 H 9.648 0.811 14.243 1.00 . A A . 41 LYS HZ3 1 1 18 21381 1 1 41 LYS N N 4.510 -0.643 9.799 1.00 . A A . 41 LYS N 1 1 18 21382 1 1 41 LYS NZ N 9.000 0.039 14.321 1.00 . A A . 41 LYS NZ 1 1 18 21383 1 1 41 LYS O O 3.347 1.123 11.638 1.00 . A A . 41 LYS O 1 1 18 21384 1 1 42 LYS C C 0.132 1.349 10.994 1.00 . A A . 42 LYS C 1 1 18 21385 1 1 42 LYS CA C 0.651 0.505 12.163 1.00 . A A . 42 LYS CA 1 1 18 21386 1 1 42 LYS CB C 1.117 1.383 13.332 1.00 . A A . 42 LYS CB 1 1 18 21387 1 1 42 LYS CD C 0.324 2.736 15.256 1.00 . A A . 42 LYS CD 1 1 18 21388 1 1 42 LYS CE C -0.781 2.980 16.292 1.00 . A A . 42 LYS CE 1 1 18 21389 1 1 42 LYS CG C -0.054 1.623 14.269 1.00 . A A . 42 LYS CG 1 1 18 21390 1 1 42 LYS H H 1.529 -1.358 11.582 1.00 . A A . 42 LYS H 1 1 18 21391 1 1 42 LYS HA H -0.161 -0.138 12.506 1.00 . A A . 42 LYS HA 1 1 18 21392 1 1 42 LYS HB2 H 1.899 0.879 13.904 1.00 . A A . 42 LYS HB2 1 1 18 21393 1 1 42 LYS HB3 H 1.509 2.331 12.961 1.00 . A A . 42 LYS HB3 1 1 18 21394 1 1 42 LYS HD2 H 1.254 2.460 15.759 1.00 . A A . 42 LYS HD2 1 1 18 21395 1 1 42 LYS HD3 H 0.499 3.648 14.679 1.00 . A A . 42 LYS HD3 1 1 18 21396 1 1 42 LYS HE2 H -1.729 3.149 15.777 1.00 . A A . 42 LYS HE2 1 1 18 21397 1 1 42 LYS HE3 H -0.881 2.092 16.921 1.00 . A A . 42 LYS HE3 1 1 18 21398 1 1 42 LYS HG2 H -0.926 1.903 13.677 1.00 . A A . 42 LYS HG2 1 1 18 21399 1 1 42 LYS HG3 H -0.241 0.663 14.752 1.00 . A A . 42 LYS HG3 1 1 18 21400 1 1 42 LYS HZ1 H -0.431 4.989 16.582 1.00 . A A . 42 LYS HZ1 1 1 18 21401 1 1 42 LYS HZ2 H -1.213 4.270 17.834 1.00 . A A . 42 LYS HZ2 1 1 18 21402 1 1 42 LYS HZ3 H 0.398 4.023 17.625 1.00 . A A . 42 LYS HZ3 1 1 18 21403 1 1 42 LYS N N 1.707 -0.390 11.751 1.00 . A A . 42 LYS N 1 1 18 21404 1 1 42 LYS NZ N -0.483 4.151 17.145 1.00 . A A . 42 LYS NZ 1 1 18 21405 1 1 42 LYS O O -1.071 1.355 10.753 1.00 . A A . 42 LYS O 1 1 18 21406 1 1 43 SER C C -0.175 2.298 8.140 1.00 . A A . 43 SER C 1 1 18 21407 1 1 43 SER CA C 0.587 3.024 9.260 1.00 . A A . 43 SER CA 1 1 18 21408 1 1 43 SER CB C 1.829 3.784 8.772 1.00 . A A . 43 SER CB 1 1 18 21409 1 1 43 SER H H 2.000 1.962 10.454 1.00 . A A . 43 SER H 1 1 18 21410 1 1 43 SER HA H -0.087 3.746 9.725 1.00 . A A . 43 SER HA 1 1 18 21411 1 1 43 SER HB2 H 2.410 4.125 9.632 1.00 . A A . 43 SER HB2 1 1 18 21412 1 1 43 SER HB3 H 2.466 3.128 8.182 1.00 . A A . 43 SER HB3 1 1 18 21413 1 1 43 SER HG H 2.252 5.397 7.779 1.00 . A A . 43 SER HG 1 1 18 21414 1 1 43 SER N N 1.000 2.073 10.284 1.00 . A A . 43 SER N 1 1 18 21415 1 1 43 SER O O -1.356 2.548 7.903 1.00 . A A . 43 SER O 1 1 18 21416 1 1 43 SER OG O 1.454 4.912 8.012 1.00 . A A . 43 SER OG 1 1 18 21417 1 1 44 ALA C C -1.406 -0.159 6.974 1.00 . A A . 44 ALA C 1 1 18 21418 1 1 44 ALA CA C -0.041 0.373 6.549 1.00 . A A . 44 ALA CA 1 1 18 21419 1 1 44 ALA CB C 0.962 -0.774 6.468 1.00 . A A . 44 ALA CB 1 1 18 21420 1 1 44 ALA H H 1.467 1.229 7.746 1.00 . A A . 44 ALA H 1 1 18 21421 1 1 44 ALA HA H -0.123 0.815 5.562 1.00 . A A . 44 ALA HA 1 1 18 21422 1 1 44 ALA HB1 H 1.033 -1.287 7.428 1.00 . A A . 44 ALA HB1 1 1 18 21423 1 1 44 ALA HB2 H 0.638 -1.477 5.702 1.00 . A A . 44 ALA HB2 1 1 18 21424 1 1 44 ALA HB3 H 1.948 -0.373 6.227 1.00 . A A . 44 ALA HB3 1 1 18 21425 1 1 44 ALA N N 0.492 1.334 7.505 1.00 . A A . 44 ALA N 1 1 18 21426 1 1 44 ALA O O -2.381 -0.135 6.213 1.00 . A A . 44 ALA O 1 1 18 21427 1 1 45 HIS C C -3.629 -0.283 9.269 1.00 . A A . 45 HIS C 1 1 18 21428 1 1 45 HIS CA C -2.543 -1.284 8.870 1.00 . A A . 45 HIS CA 1 1 18 21429 1 1 45 HIS CB C -2.034 -2.050 10.092 1.00 . A A . 45 HIS CB 1 1 18 21430 1 1 45 HIS CD2 C -0.799 -3.927 8.767 1.00 . A A . 45 HIS CD2 1 1 18 21431 1 1 45 HIS CE1 C -1.198 -5.583 10.140 1.00 . A A . 45 HIS CE1 1 1 18 21432 1 1 45 HIS CG C -1.562 -3.456 9.814 1.00 . A A . 45 HIS CG 1 1 18 21433 1 1 45 HIS H H -0.563 -0.570 8.740 1.00 . A A . 45 HIS H 1 1 18 21434 1 1 45 HIS HA H -2.991 -2.001 8.184 1.00 . A A . 45 HIS HA 1 1 18 21435 1 1 45 HIS HB2 H -1.239 -1.491 10.586 1.00 . A A . 45 HIS HB2 1 1 18 21436 1 1 45 HIS HB3 H -2.857 -2.140 10.802 1.00 . A A . 45 HIS HB3 1 1 18 21437 1 1 45 HIS HD1 H -2.312 -4.478 11.529 1.00 . A A . 45 HIS HD1 1 1 18 21438 1 1 45 HIS HD2 H -0.412 -3.359 7.936 1.00 . A A . 45 HIS HD2 1 1 18 21439 1 1 45 HIS HE1 H -1.191 -6.542 10.620 1.00 . A A . 45 HIS HE1 1 1 18 21440 1 1 45 HIS N N -1.420 -0.650 8.214 1.00 . A A . 45 HIS N 1 1 18 21441 1 1 45 HIS ND1 N -1.804 -4.510 10.657 1.00 . A A . 45 HIS ND1 1 1 18 21442 1 1 45 HIS NE2 N -0.573 -5.293 8.987 1.00 . A A . 45 HIS NE2 1 1 18 21443 1 1 45 HIS O O -4.746 -0.705 9.569 1.00 . A A . 45 HIS O 1 1 18 21444 1 1 46 LYS C C -5.231 2.043 8.193 1.00 . A A . 46 LYS C 1 1 18 21445 1 1 46 LYS CA C -4.378 2.024 9.465 1.00 . A A . 46 LYS CA 1 1 18 21446 1 1 46 LYS CB C -3.768 3.371 9.865 1.00 . A A . 46 LYS CB 1 1 18 21447 1 1 46 LYS CD C -4.252 5.709 10.535 1.00 . A A . 46 LYS CD 1 1 18 21448 1 1 46 LYS CE C -5.294 6.800 10.828 1.00 . A A . 46 LYS CE 1 1 18 21449 1 1 46 LYS CG C -4.884 4.352 10.245 1.00 . A A . 46 LYS CG 1 1 18 21450 1 1 46 LYS H H -2.396 1.330 9.078 1.00 . A A . 46 LYS H 1 1 18 21451 1 1 46 LYS HA H -5.005 1.764 10.314 1.00 . A A . 46 LYS HA 1 1 18 21452 1 1 46 LYS HB2 H -3.129 3.217 10.736 1.00 . A A . 46 LYS HB2 1 1 18 21453 1 1 46 LYS HB3 H -3.152 3.781 9.067 1.00 . A A . 46 LYS HB3 1 1 18 21454 1 1 46 LYS HD2 H -3.611 5.560 11.404 1.00 . A A . 46 LYS HD2 1 1 18 21455 1 1 46 LYS HD3 H -3.626 5.993 9.690 1.00 . A A . 46 LYS HD3 1 1 18 21456 1 1 46 LYS HE2 H -5.935 6.475 11.650 1.00 . A A . 46 LYS HE2 1 1 18 21457 1 1 46 LYS HE3 H -4.768 7.704 11.140 1.00 . A A . 46 LYS HE3 1 1 18 21458 1 1 46 LYS HG2 H -5.601 4.439 9.434 1.00 . A A . 46 LYS HG2 1 1 18 21459 1 1 46 LYS HG3 H -5.407 3.989 11.133 1.00 . A A . 46 LYS HG3 1 1 18 21460 1 1 46 LYS HZ1 H -6.655 6.316 9.316 1.00 . A A . 46 LYS HZ1 1 1 18 21461 1 1 46 LYS HZ2 H -6.812 7.838 9.876 1.00 . A A . 46 LYS HZ2 1 1 18 21462 1 1 46 LYS HZ3 H -5.574 7.440 8.874 1.00 . A A . 46 LYS HZ3 1 1 18 21463 1 1 46 LYS N N -3.346 1.021 9.276 1.00 . A A . 46 LYS N 1 1 18 21464 1 1 46 LYS NZ N -6.132 7.126 9.653 1.00 . A A . 46 LYS NZ 1 1 18 21465 1 1 46 LYS O O -6.044 1.140 7.993 1.00 . A A . 46 LYS O 1 1 18 21466 1 1 47 ASP C C -4.899 3.109 4.875 1.00 . A A . 47 ASP C 1 1 18 21467 1 1 47 ASP CA C -5.785 3.235 6.108 1.00 . A A . 47 ASP CA 1 1 18 21468 1 1 47 ASP CB C -6.483 4.600 6.133 1.00 . A A . 47 ASP CB 1 1 18 21469 1 1 47 ASP CG C -7.567 4.653 7.195 1.00 . A A . 47 ASP CG 1 1 18 21470 1 1 47 ASP H H -4.359 3.755 7.580 1.00 . A A . 47 ASP H 1 1 18 21471 1 1 47 ASP HA H -6.541 2.462 6.017 1.00 . A A . 47 ASP HA 1 1 18 21472 1 1 47 ASP HB2 H -5.754 5.393 6.298 1.00 . A A . 47 ASP HB2 1 1 18 21473 1 1 47 ASP HB3 H -6.963 4.771 5.168 1.00 . A A . 47 ASP HB3 1 1 18 21474 1 1 47 ASP N N -5.028 3.044 7.336 1.00 . A A . 47 ASP N 1 1 18 21475 1 1 47 ASP O O -5.412 2.820 3.795 1.00 . A A . 47 ASP O 1 1 18 21476 1 1 47 ASP OD1 O -8.525 3.863 7.067 1.00 . A A . 47 ASP OD1 1 1 18 21477 1 1 47 ASP OD2 O -7.392 5.461 8.136 1.00 . A A . 47 ASP OD2 1 1 18 21478 1 1 48 ALA C C -2.807 2.341 2.937 1.00 . A A . 48 ALA C 1 1 18 21479 1 1 48 ALA CA C -2.627 3.464 3.957 1.00 . A A . 48 ALA CA 1 1 18 21480 1 1 48 ALA CB C -1.214 3.518 4.550 1.00 . A A . 48 ALA CB 1 1 18 21481 1 1 48 ALA H H -3.231 3.477 5.972 1.00 . A A . 48 ALA H 1 1 18 21482 1 1 48 ALA HA H -2.810 4.410 3.445 1.00 . A A . 48 ALA HA 1 1 18 21483 1 1 48 ALA HB1 H -1.016 2.679 5.218 1.00 . A A . 48 ALA HB1 1 1 18 21484 1 1 48 ALA HB2 H -0.483 3.520 3.743 1.00 . A A . 48 ALA HB2 1 1 18 21485 1 1 48 ALA HB3 H -1.101 4.434 5.131 1.00 . A A . 48 ALA HB3 1 1 18 21486 1 1 48 ALA N N -3.589 3.342 5.041 1.00 . A A . 48 ALA N 1 1 18 21487 1 1 48 ALA O O -3.016 2.606 1.758 1.00 . A A . 48 ALA O 1 1 18 21488 1 1 49 CYS C C -4.404 -0.676 3.098 1.00 . A A . 49 CYS C 1 1 18 21489 1 1 49 CYS CA C -3.060 -0.098 2.635 1.00 . A A . 49 CYS CA 1 1 18 21490 1 1 49 CYS CB C -1.934 -1.094 2.803 1.00 . A A . 49 CYS CB 1 1 18 21491 1 1 49 CYS H H -2.495 0.963 4.366 1.00 . A A . 49 CYS H 1 1 18 21492 1 1 49 CYS HA H -3.151 0.141 1.578 1.00 . A A . 49 CYS HA 1 1 18 21493 1 1 49 CYS HB2 H -2.069 -1.627 3.741 1.00 . A A . 49 CYS HB2 1 1 18 21494 1 1 49 CYS HB3 H -1.962 -1.818 1.990 1.00 . A A . 49 CYS HB3 1 1 18 21495 1 1 49 CYS N N -2.764 1.095 3.409 1.00 . A A . 49 CYS N 1 1 18 21496 1 1 49 CYS O O -5.311 -0.930 2.300 1.00 . A A . 49 CYS O 1 1 18 21497 1 1 49 CYS SG S -0.275 -0.341 2.909 1.00 . A A . 49 CYS SG 1 1 18 21498 1 1 50 LYS C C -6.971 -1.078 5.053 1.00 . A A . 50 LYS C 1 1 18 21499 1 1 50 LYS CA C -5.589 -1.753 4.974 1.00 . A A . 50 LYS CA 1 1 18 21500 1 1 50 LYS CB C -5.113 -2.235 6.354 1.00 . A A . 50 LYS CB 1 1 18 21501 1 1 50 LYS CD C -6.015 -3.401 8.460 1.00 . A A . 50 LYS CD 1 1 18 21502 1 1 50 LYS CE C -7.194 -2.570 9.012 1.00 . A A . 50 LYS CE 1 1 18 21503 1 1 50 LYS CG C -5.898 -3.432 6.926 1.00 . A A . 50 LYS CG 1 1 18 21504 1 1 50 LYS H H -3.793 -0.613 5.031 1.00 . A A . 50 LYS H 1 1 18 21505 1 1 50 LYS HA H -5.673 -2.624 4.322 1.00 . A A . 50 LYS HA 1 1 18 21506 1 1 50 LYS HB2 H -4.072 -2.549 6.265 1.00 . A A . 50 LYS HB2 1 1 18 21507 1 1 50 LYS HB3 H -5.143 -1.384 7.029 1.00 . A A . 50 LYS HB3 1 1 18 21508 1 1 50 LYS HD2 H -6.171 -4.427 8.799 1.00 . A A . 50 LYS HD2 1 1 18 21509 1 1 50 LYS HD3 H -5.070 -3.072 8.893 1.00 . A A . 50 LYS HD3 1 1 18 21510 1 1 50 LYS HE2 H -8.135 -3.018 8.693 1.00 . A A . 50 LYS HE2 1 1 18 21511 1 1 50 LYS HE3 H -7.151 -2.607 10.103 1.00 . A A . 50 LYS HE3 1 1 18 21512 1 1 50 LYS HG2 H -6.894 -3.513 6.502 1.00 . A A . 50 LYS HG2 1 1 18 21513 1 1 50 LYS HG3 H -5.348 -4.334 6.646 1.00 . A A . 50 LYS HG3 1 1 18 21514 1 1 50 LYS HZ1 H -7.332 -1.057 7.600 1.00 . A A . 50 LYS HZ1 1 1 18 21515 1 1 50 LYS HZ2 H -7.921 -0.621 9.052 1.00 . A A . 50 LYS HZ2 1 1 18 21516 1 1 50 LYS HZ3 H -6.303 -0.689 8.817 1.00 . A A . 50 LYS HZ3 1 1 18 21517 1 1 50 LYS N N -4.548 -0.898 4.411 1.00 . A A . 50 LYS N 1 1 18 21518 1 1 50 LYS NZ N -7.190 -1.150 8.601 1.00 . A A . 50 LYS NZ 1 1 18 21519 1 1 50 LYS O O -7.723 -1.348 5.988 1.00 . A A . 50 LYS O 1 1 18 21520 1 1 51 THR C C -8.983 0.288 2.408 1.00 . A A . 51 THR C 1 1 18 21521 1 1 51 THR CA C -8.699 0.253 3.904 1.00 . A A . 51 THR CA 1 1 18 21522 1 1 51 THR CB C -8.844 1.627 4.586 1.00 . A A . 51 THR CB 1 1 18 21523 1 1 51 THR CG2 C -10.180 2.304 4.267 1.00 . A A . 51 THR CG2 1 1 18 21524 1 1 51 THR H H -6.690 -0.160 3.297 1.00 . A A . 51 THR H 1 1 18 21525 1 1 51 THR HA H -9.425 -0.424 4.357 1.00 . A A . 51 THR HA 1 1 18 21526 1 1 51 THR HB H -8.041 2.291 4.261 1.00 . A A . 51 THR HB 1 1 18 21527 1 1 51 THR HG1 H -8.736 2.330 6.410 1.00 . A A . 51 THR HG1 1 1 18 21528 1 1 51 THR HG21 H -11.007 1.652 4.547 1.00 . A A . 51 THR HG21 1 1 18 21529 1 1 51 THR HG22 H -10.255 3.234 4.832 1.00 . A A . 51 THR HG22 1 1 18 21530 1 1 51 THR HG23 H -10.249 2.543 3.205 1.00 . A A . 51 THR HG23 1 1 18 21531 1 1 51 THR N N -7.347 -0.277 4.061 1.00 . A A . 51 THR N 1 1 18 21532 1 1 51 THR O O -9.887 -0.389 1.929 1.00 . A A . 51 THR O 1 1 18 21533 1 1 51 THR OG1 O -8.775 1.450 5.988 1.00 . A A . 51 THR OG1 1 1 18 21534 1 1 52 CYS C C -8.428 -0.165 -0.497 1.00 . A A . 52 CYS C 1 1 18 21535 1 1 52 CYS CA C -8.216 1.174 0.224 1.00 . A A . 52 CYS CA 1 1 18 21536 1 1 52 CYS CB C -6.936 1.843 -0.201 1.00 . A A . 52 CYS CB 1 1 18 21537 1 1 52 CYS H H -7.419 1.527 2.154 1.00 . A A . 52 CYS H 1 1 18 21538 1 1 52 CYS HA H -9.059 1.828 -0.002 1.00 . A A . 52 CYS HA 1 1 18 21539 1 1 52 CYS HB2 H -6.584 2.485 0.607 1.00 . A A . 52 CYS HB2 1 1 18 21540 1 1 52 CYS HB3 H -6.166 1.098 -0.394 1.00 . A A . 52 CYS HB3 1 1 18 21541 1 1 52 CYS N N -8.149 1.018 1.671 1.00 . A A . 52 CYS N 1 1 18 21542 1 1 52 CYS O O -9.256 -0.283 -1.399 1.00 . A A . 52 CYS O 1 1 18 21543 1 1 52 CYS SG S -7.188 2.967 -1.595 1.00 . A A . 52 CYS SG 1 1 18 21544 1 1 53 HIS C C -9.170 -3.171 -0.560 1.00 . A A . 53 HIS C 1 1 18 21545 1 1 53 HIS CA C -7.782 -2.526 -0.675 1.00 . A A . 53 HIS CA 1 1 18 21546 1 1 53 HIS CB C -6.733 -3.431 -0.018 1.00 . A A . 53 HIS CB 1 1 18 21547 1 1 53 HIS CD2 C -4.911 -2.406 -1.514 1.00 . A A . 53 HIS CD2 1 1 18 21548 1 1 53 HIS CE1 C -3.366 -3.920 -1.269 1.00 . A A . 53 HIS CE1 1 1 18 21549 1 1 53 HIS CG C -5.351 -3.319 -0.596 1.00 . A A . 53 HIS CG 1 1 18 21550 1 1 53 HIS H H -7.022 -1.045 0.663 1.00 . A A . 53 HIS H 1 1 18 21551 1 1 53 HIS HA H -7.577 -2.448 -1.743 1.00 . A A . 53 HIS HA 1 1 18 21552 1 1 53 HIS HB2 H -6.686 -3.247 1.053 1.00 . A A . 53 HIS HB2 1 1 18 21553 1 1 53 HIS HB3 H -7.039 -4.461 -0.187 1.00 . A A . 53 HIS HB3 1 1 18 21554 1 1 53 HIS HD1 H -4.377 -5.088 0.132 1.00 . A A . 53 HIS HD1 1 1 18 21555 1 1 53 HIS HD2 H -5.438 -1.564 -1.913 1.00 . A A . 53 HIS HD2 1 1 18 21556 1 1 53 HIS HE1 H -2.461 -4.484 -1.388 1.00 . A A . 53 HIS HE1 1 1 18 21557 1 1 53 HIS N N -7.699 -1.201 -0.075 1.00 . A A . 53 HIS N 1 1 18 21558 1 1 53 HIS ND1 N -4.361 -4.255 -0.432 1.00 . A A . 53 HIS ND1 1 1 18 21559 1 1 53 HIS NE2 N -3.646 -2.794 -1.942 1.00 . A A . 53 HIS NE2 1 1 18 21560 1 1 53 HIS O O -9.520 -4.024 -1.383 1.00 . A A . 53 HIS O 1 1 18 21561 1 1 54 LYS C C -12.285 -2.993 -0.100 1.00 . A A . 54 LYS C 1 1 18 21562 1 1 54 LYS CA C -11.185 -3.472 0.847 1.00 . A A . 54 LYS CA 1 1 18 21563 1 1 54 LYS CB C -11.529 -3.234 2.329 1.00 . A A . 54 LYS CB 1 1 18 21564 1 1 54 LYS CD C -9.231 -3.479 3.514 1.00 . A A . 54 LYS CD 1 1 18 21565 1 1 54 LYS CE C -8.177 -4.594 3.477 1.00 . A A . 54 LYS CE 1 1 18 21566 1 1 54 LYS CG C -10.644 -4.049 3.285 1.00 . A A . 54 LYS CG 1 1 18 21567 1 1 54 LYS H H -9.688 -1.984 0.999 1.00 . A A . 54 LYS H 1 1 18 21568 1 1 54 LYS HA H -11.085 -4.549 0.700 1.00 . A A . 54 LYS HA 1 1 18 21569 1 1 54 LYS HB2 H -11.502 -2.174 2.580 1.00 . A A . 54 LYS HB2 1 1 18 21570 1 1 54 LYS HB3 H -12.553 -3.581 2.481 1.00 . A A . 54 LYS HB3 1 1 18 21571 1 1 54 LYS HD2 H -8.977 -2.749 2.751 1.00 . A A . 54 LYS HD2 1 1 18 21572 1 1 54 LYS HD3 H -9.210 -2.951 4.469 1.00 . A A . 54 LYS HD3 1 1 18 21573 1 1 54 LYS HE2 H -8.268 -5.142 2.537 1.00 . A A . 54 LYS HE2 1 1 18 21574 1 1 54 LYS HE3 H -7.179 -4.158 3.513 1.00 . A A . 54 LYS HE3 1 1 18 21575 1 1 54 LYS HG2 H -11.156 -4.085 4.248 1.00 . A A . 54 LYS HG2 1 1 18 21576 1 1 54 LYS HG3 H -10.595 -5.061 2.885 1.00 . A A . 54 LYS HG3 1 1 18 21577 1 1 54 LYS HZ1 H -8.106 -5.086 5.484 1.00 . A A . 54 LYS HZ1 1 1 18 21578 1 1 54 LYS HZ2 H -9.289 -5.857 4.652 1.00 . A A . 54 LYS HZ2 1 1 18 21579 1 1 54 LYS HZ3 H -7.750 -6.354 4.499 1.00 . A A . 54 LYS HZ3 1 1 18 21580 1 1 54 LYS N N -9.932 -2.824 0.485 1.00 . A A . 54 LYS N 1 1 18 21581 1 1 54 LYS NZ N -8.337 -5.526 4.609 1.00 . A A . 54 LYS NZ 1 1 18 21582 1 1 54 LYS O O -13.183 -2.244 0.271 1.00 . A A . 54 LYS O 1 1 18 21583 1 1 55 SER C C -12.599 -4.023 -3.643 1.00 . A A . 55 SER C 1 1 18 21584 1 1 55 SER CA C -13.006 -3.117 -2.479 1.00 . A A . 55 SER CA 1 1 18 21585 1 1 55 SER CB C -12.863 -1.630 -2.844 1.00 . A A . 55 SER CB 1 1 18 21586 1 1 55 SER H H -11.387 -4.076 -1.497 1.00 . A A . 55 SER H 1 1 18 21587 1 1 55 SER HA H -14.047 -3.318 -2.217 1.00 . A A . 55 SER HA 1 1 18 21588 1 1 55 SER HB2 H -13.058 -1.009 -1.968 1.00 . A A . 55 SER HB2 1 1 18 21589 1 1 55 SER HB3 H -11.850 -1.420 -3.195 1.00 . A A . 55 SER HB3 1 1 18 21590 1 1 55 SER HG H -13.739 -1.864 -4.587 1.00 . A A . 55 SER HG 1 1 18 21591 1 1 55 SER N N -12.169 -3.450 -1.343 1.00 . A A . 55 SER N 1 1 18 21592 1 1 55 SER O O -13.464 -4.574 -4.316 1.00 . A A . 55 SER O 1 1 18 21593 1 1 55 SER OG O -13.802 -1.265 -3.839 1.00 . A A . 55 SER OG 1 1 18 21594 1 1 56 ASN C C -10.238 -6.364 -4.344 1.00 . A A . 56 ASN C 1 1 18 21595 1 1 56 ASN CA C -10.756 -5.042 -4.926 1.00 . A A . 56 ASN CA 1 1 18 21596 1 1 56 ASN CB C -9.689 -4.310 -5.761 1.00 . A A . 56 ASN CB 1 1 18 21597 1 1 56 ASN CG C -8.286 -4.461 -5.185 1.00 . A A . 56 ASN CG 1 1 18 21598 1 1 56 ASN H H -10.619 -3.710 -3.274 1.00 . A A . 56 ASN H 1 1 18 21599 1 1 56 ASN HA H -11.558 -5.291 -5.624 1.00 . A A . 56 ASN HA 1 1 18 21600 1 1 56 ASN HB2 H -9.676 -4.763 -6.755 1.00 . A A . 56 ASN HB2 1 1 18 21601 1 1 56 ASN HB3 H -9.947 -3.257 -5.878 1.00 . A A . 56 ASN HB3 1 1 18 21602 1 1 56 ASN HD21 H -8.474 -2.821 -3.965 1.00 . A A . 56 ASN HD21 1 1 18 21603 1 1 56 ASN HD22 H -7.039 -3.834 -3.759 1.00 . A A . 56 ASN HD22 1 1 18 21604 1 1 56 ASN N N -11.286 -4.174 -3.875 1.00 . A A . 56 ASN N 1 1 18 21605 1 1 56 ASN ND2 N -7.905 -3.600 -4.249 1.00 . A A . 56 ASN ND2 1 1 18 21606 1 1 56 ASN O O -10.466 -7.422 -4.925 1.00 . A A . 56 ASN O 1 1 18 21607 1 1 56 ASN OD1 O -7.567 -5.381 -5.551 1.00 . A A . 56 ASN OD1 1 1 18 21608 1 1 57 ASN C C -9.750 -8.487 -2.064 1.00 . A A . 57 ASN C 1 1 18 21609 1 1 57 ASN CA C -8.803 -7.496 -2.732 1.00 . A A . 57 ASN CA 1 1 18 21610 1 1 57 ASN CB C -7.680 -7.102 -1.770 1.00 . A A . 57 ASN CB 1 1 18 21611 1 1 57 ASN CG C -6.524 -6.436 -2.508 1.00 . A A . 57 ASN CG 1 1 18 21612 1 1 57 ASN H H -9.394 -5.442 -2.720 1.00 . A A . 57 ASN H 1 1 18 21613 1 1 57 ASN HA H -8.329 -7.986 -3.586 1.00 . A A . 57 ASN HA 1 1 18 21614 1 1 57 ASN HB2 H -8.073 -6.433 -1.005 1.00 . A A . 57 ASN HB2 1 1 18 21615 1 1 57 ASN HB3 H -7.300 -7.997 -1.274 1.00 . A A . 57 ASN HB3 1 1 18 21616 1 1 57 ASN HD21 H -5.627 -8.238 -2.978 1.00 . A A . 57 ASN HD21 1 1 18 21617 1 1 57 ASN HD22 H -4.824 -6.852 -3.594 1.00 . A A . 57 ASN HD22 1 1 18 21618 1 1 57 ASN N N -9.528 -6.322 -3.209 1.00 . A A . 57 ASN N 1 1 18 21619 1 1 57 ASN ND2 N -5.603 -7.233 -3.034 1.00 . A A . 57 ASN ND2 1 1 18 21620 1 1 57 ASN O O -10.240 -8.232 -0.966 1.00 . A A . 57 ASN O 1 1 18 21621 1 1 57 ASN OD1 O -6.472 -5.213 -2.585 1.00 . A A . 57 ASN OD1 1 1 18 21622 1 1 58 GLY C C -10.267 -11.106 -0.721 1.00 . A A . 58 GLY C 1 1 18 21623 1 1 58 GLY CA C -10.671 -10.785 -2.166 1.00 . A A . 58 GLY CA 1 1 18 21624 1 1 58 GLY H H -9.589 -9.716 -3.649 1.00 . A A . 58 GLY H 1 1 18 21625 1 1 58 GLY HA2 H -11.742 -10.576 -2.197 1.00 . A A . 58 GLY HA2 1 1 18 21626 1 1 58 GLY HA3 H -10.475 -11.656 -2.791 1.00 . A A . 58 GLY HA3 1 1 18 21627 1 1 58 GLY N N -9.962 -9.636 -2.714 1.00 . A A . 58 GLY N 1 1 18 21628 1 1 58 GLY O O -11.116 -11.059 0.168 1.00 . A A . 58 GLY O 1 1 18 21629 1 1 59 PRO C C -8.503 -10.351 1.656 1.00 . A A . 59 PRO C 1 1 18 21630 1 1 59 PRO CA C -8.531 -11.685 0.906 1.00 . A A . 59 PRO CA 1 1 18 21631 1 1 59 PRO CB C -7.145 -12.322 0.773 1.00 . A A . 59 PRO CB 1 1 18 21632 1 1 59 PRO CD C -7.930 -11.701 -1.410 1.00 . A A . 59 PRO CD 1 1 18 21633 1 1 59 PRO CG C -6.651 -11.806 -0.578 1.00 . A A . 59 PRO CG 1 1 18 21634 1 1 59 PRO HA H -9.198 -12.377 1.426 1.00 . A A . 59 PRO HA 1 1 18 21635 1 1 59 PRO HB2 H -6.477 -12.052 1.591 1.00 . A A . 59 PRO HB2 1 1 18 21636 1 1 59 PRO HB3 H -7.253 -13.406 0.720 1.00 . A A . 59 PRO HB3 1 1 18 21637 1 1 59 PRO HD2 H -7.819 -10.901 -2.140 1.00 . A A . 59 PRO HD2 1 1 18 21638 1 1 59 PRO HD3 H -8.115 -12.647 -1.923 1.00 . A A . 59 PRO HD3 1 1 18 21639 1 1 59 PRO HG2 H -6.228 -10.809 -0.448 1.00 . A A . 59 PRO HG2 1 1 18 21640 1 1 59 PRO HG3 H -5.912 -12.469 -1.032 1.00 . A A . 59 PRO HG3 1 1 18 21641 1 1 59 PRO N N -8.998 -11.463 -0.453 1.00 . A A . 59 PRO N 1 1 18 21642 1 1 59 PRO O O -7.786 -9.424 1.287 1.00 . A A . 59 PRO O 1 1 18 21643 1 1 60 THR C C -8.619 -8.973 4.623 1.00 . A A . 60 THR C 1 1 18 21644 1 1 60 THR CA C -9.580 -9.037 3.444 1.00 . A A . 60 THR CA 1 1 18 21645 1 1 60 THR CB C -11.037 -9.122 3.922 1.00 . A A . 60 THR CB 1 1 18 21646 1 1 60 THR CG2 C -12.003 -8.789 2.783 1.00 . A A . 60 THR CG2 1 1 18 21647 1 1 60 THR H H -9.828 -11.062 3.033 1.00 . A A . 60 THR H 1 1 18 21648 1 1 60 THR HA H -9.442 -8.159 2.811 1.00 . A A . 60 THR HA 1 1 18 21649 1 1 60 THR HB H -11.208 -8.414 4.736 1.00 . A A . 60 THR HB 1 1 18 21650 1 1 60 THR HG1 H -12.212 -10.634 4.315 1.00 . A A . 60 THR HG1 1 1 18 21651 1 1 60 THR HG21 H -13.031 -8.820 3.143 1.00 . A A . 60 THR HG21 1 1 18 21652 1 1 60 THR HG22 H -11.798 -7.789 2.398 1.00 . A A . 60 THR HG22 1 1 18 21653 1 1 60 THR HG23 H -11.892 -9.504 1.970 1.00 . A A . 60 THR HG23 1 1 18 21654 1 1 60 THR N N -9.305 -10.258 2.715 1.00 . A A . 60 THR N 1 1 18 21655 1 1 60 THR O O -7.805 -8.056 4.714 1.00 . A A . 60 THR O 1 1 18 21656 1 1 60 THR OG1 O -11.270 -10.450 4.374 1.00 . A A . 60 THR OG1 1 1 18 21657 1 1 61 LYS C C -6.457 -10.108 6.419 1.00 . A A . 61 LYS C 1 1 18 21658 1 1 61 LYS CA C -7.964 -10.286 6.671 1.00 . A A . 61 LYS CA 1 1 18 21659 1 1 61 LYS CB C -8.330 -11.724 7.101 1.00 . A A . 61 LYS CB 1 1 18 21660 1 1 61 LYS CD C -7.939 -14.089 6.210 1.00 . A A . 61 LYS CD 1 1 18 21661 1 1 61 LYS CE C -7.912 -14.921 4.917 1.00 . A A . 61 LYS CE 1 1 18 21662 1 1 61 LYS CG C -8.485 -12.688 5.902 1.00 . A A . 61 LYS CG 1 1 18 21663 1 1 61 LYS H H -9.583 -10.544 5.324 1.00 . A A . 61 LYS H 1 1 18 21664 1 1 61 LYS HA H -8.234 -9.611 7.484 1.00 . A A . 61 LYS HA 1 1 18 21665 1 1 61 LYS HB2 H -7.586 -12.089 7.811 1.00 . A A . 61 LYS HB2 1 1 18 21666 1 1 61 LYS HB3 H -9.287 -11.695 7.627 1.00 . A A . 61 LYS HB3 1 1 18 21667 1 1 61 LYS HD2 H -6.926 -14.007 6.610 1.00 . A A . 61 LYS HD2 1 1 18 21668 1 1 61 LYS HD3 H -8.579 -14.559 6.962 1.00 . A A . 61 LYS HD3 1 1 18 21669 1 1 61 LYS HE2 H -8.928 -15.020 4.529 1.00 . A A . 61 LYS HE2 1 1 18 21670 1 1 61 LYS HE3 H -7.304 -14.405 4.168 1.00 . A A . 61 LYS HE3 1 1 18 21671 1 1 61 LYS HG2 H -9.544 -12.762 5.647 1.00 . A A . 61 LYS HG2 1 1 18 21672 1 1 61 LYS HG3 H -7.968 -12.305 5.019 1.00 . A A . 61 LYS HG3 1 1 18 21673 1 1 61 LYS HZ1 H -7.886 -16.786 5.799 1.00 . A A . 61 LYS HZ1 1 1 18 21674 1 1 61 LYS HZ2 H -7.339 -16.775 4.250 1.00 . A A . 61 LYS HZ2 1 1 18 21675 1 1 61 LYS HZ3 H -6.386 -16.195 5.452 1.00 . A A . 61 LYS HZ3 1 1 18 21676 1 1 61 LYS N N -8.777 -9.955 5.511 1.00 . A A . 61 LYS N 1 1 18 21677 1 1 61 LYS NZ N -7.339 -16.268 5.125 1.00 . A A . 61 LYS NZ 1 1 18 21678 1 1 61 LYS O O -5.937 -8.995 6.498 1.00 . A A . 61 LYS O 1 1 18 21679 1 1 62 CYS C C -4.199 -12.036 4.506 1.00 . A A . 62 CYS C 1 1 18 21680 1 1 62 CYS CA C -4.342 -11.264 5.811 1.00 . A A . 62 CYS CA 1 1 18 21681 1 1 62 CYS CB C -3.498 -11.913 6.891 1.00 . A A . 62 CYS CB 1 1 18 21682 1 1 62 CYS H H -6.277 -12.045 5.925 1.00 . A A . 62 CYS H 1 1 18 21683 1 1 62 CYS HA H -3.979 -10.262 5.627 1.00 . A A . 62 CYS HA 1 1 18 21684 1 1 62 CYS HB2 H -3.446 -12.985 6.695 1.00 . A A . 62 CYS HB2 1 1 18 21685 1 1 62 CYS HB3 H -2.490 -11.503 6.817 1.00 . A A . 62 CYS HB3 1 1 18 21686 1 1 62 CYS N N -5.759 -11.210 6.133 1.00 . A A . 62 CYS N 1 1 18 21687 1 1 62 CYS O O -5.190 -12.555 3.987 1.00 . A A . 62 CYS O 1 1 18 21688 1 1 62 CYS SG S -4.090 -11.757 8.602 1.00 . A A . 62 CYS SG 1 1 18 21689 1 1 63 GLY C C -2.577 -11.730 1.593 1.00 . A A . 63 GLY C 1 1 18 21690 1 1 63 GLY CA C -2.661 -12.758 2.718 1.00 . A A . 63 GLY CA 1 1 18 21691 1 1 63 GLY H H -2.214 -11.654 4.480 1.00 . A A . 63 GLY H 1 1 18 21692 1 1 63 GLY HA2 H -1.697 -13.258 2.813 1.00 . A A . 63 GLY HA2 1 1 18 21693 1 1 63 GLY HA3 H -3.414 -13.506 2.464 1.00 . A A . 63 GLY HA3 1 1 18 21694 1 1 63 GLY N N -2.973 -12.102 3.983 1.00 . A A . 63 GLY N 1 1 18 21695 1 1 63 GLY O O -1.749 -11.856 0.699 1.00 . A A . 63 GLY O 1 1 18 21696 1 1 64 GLY C C -2.099 -9.042 0.317 1.00 . A A . 64 GLY C 1 1 18 21697 1 1 64 GLY CA C -3.471 -9.591 0.716 1.00 . A A . 64 GLY CA 1 1 18 21698 1 1 64 GLY H H -4.106 -10.701 2.404 1.00 . A A . 64 GLY H 1 1 18 21699 1 1 64 GLY HA2 H -4.007 -9.910 -0.177 1.00 . A A . 64 GLY HA2 1 1 18 21700 1 1 64 GLY HA3 H -4.029 -8.784 1.197 1.00 . A A . 64 GLY HA3 1 1 18 21701 1 1 64 GLY N N -3.416 -10.691 1.669 1.00 . A A . 64 GLY N 1 1 18 21702 1 1 64 GLY O O -1.862 -8.751 -0.850 1.00 . A A . 64 GLY O 1 1 18 21703 1 1 65 CYS C C 1.225 -8.887 1.537 1.00 . A A . 65 CYS C 1 1 18 21704 1 1 65 CYS CA C 0.001 -8.057 1.141 1.00 . A A . 65 CYS CA 1 1 18 21705 1 1 65 CYS CB C -0.119 -6.792 1.953 1.00 . A A . 65 CYS CB 1 1 18 21706 1 1 65 CYS H H -1.500 -9.099 2.235 1.00 . A A . 65 CYS H 1 1 18 21707 1 1 65 CYS HA H 0.130 -7.766 0.098 1.00 . A A . 65 CYS HA 1 1 18 21708 1 1 65 CYS HB2 H -0.019 -7.065 3.001 1.00 . A A . 65 CYS HB2 1 1 18 21709 1 1 65 CYS HB3 H 0.680 -6.097 1.694 1.00 . A A . 65 CYS HB3 1 1 18 21710 1 1 65 CYS N N -1.221 -8.840 1.305 1.00 . A A . 65 CYS N 1 1 18 21711 1 1 65 CYS O O 2.194 -8.967 0.789 1.00 . A A . 65 CYS O 1 1 18 21712 1 1 65 CYS SG S -1.743 -6.004 1.655 1.00 . A A . 65 CYS SG 1 1 18 21713 1 1 66 HIS C C 2.346 -11.645 2.383 1.00 . A A . 66 HIS C 1 1 18 21714 1 1 66 HIS CA C 2.286 -10.349 3.189 1.00 . A A . 66 HIS CA 1 1 18 21715 1 1 66 HIS CB C 2.110 -10.680 4.673 1.00 . A A . 66 HIS CB 1 1 18 21716 1 1 66 HIS CD2 C 1.149 -8.913 6.246 1.00 . A A . 66 HIS CD2 1 1 18 21717 1 1 66 HIS CE1 C 2.927 -7.689 6.571 1.00 . A A . 66 HIS CE1 1 1 18 21718 1 1 66 HIS CG C 2.186 -9.471 5.552 1.00 . A A . 66 HIS CG 1 1 18 21719 1 1 66 HIS H H 0.401 -9.373 3.324 1.00 . A A . 66 HIS H 1 1 18 21720 1 1 66 HIS HA H 3.226 -9.807 3.074 1.00 . A A . 66 HIS HA 1 1 18 21721 1 1 66 HIS HB2 H 1.165 -11.202 4.823 1.00 . A A . 66 HIS HB2 1 1 18 21722 1 1 66 HIS HB3 H 2.906 -11.364 4.971 1.00 . A A . 66 HIS HB3 1 1 18 21723 1 1 66 HIS HD1 H 4.219 -8.813 5.318 1.00 . A A . 66 HIS HD1 1 1 18 21724 1 1 66 HIS HD2 H 0.128 -9.236 6.320 1.00 . A A . 66 HIS HD2 1 1 18 21725 1 1 66 HIS HE1 H 3.579 -6.907 6.921 1.00 . A A . 66 HIS HE1 1 1 18 21726 1 1 66 HIS N N 1.195 -9.507 2.720 1.00 . A A . 66 HIS N 1 1 18 21727 1 1 66 HIS ND1 N 3.297 -8.687 5.743 1.00 . A A . 66 HIS ND1 1 1 18 21728 1 1 66 HIS NE2 N 1.623 -7.780 6.889 1.00 . A A . 66 HIS NE2 1 1 18 21729 1 1 66 HIS O O 1.532 -12.540 2.603 1.00 . A A . 66 HIS O 1 1 18 21730 1 1 67 ILE C C 4.299 -13.967 1.786 1.00 . A A . 67 ILE C 1 1 18 21731 1 1 67 ILE CA C 3.627 -13.007 0.801 1.00 . A A . 67 ILE CA 1 1 18 21732 1 1 67 ILE CB C 4.498 -12.745 -0.446 1.00 . A A . 67 ILE CB 1 1 18 21733 1 1 67 ILE CD1 C 4.616 -10.281 -1.087 1.00 . A A . 67 ILE CD1 1 1 18 21734 1 1 67 ILE CG1 C 3.928 -11.626 -1.340 1.00 . A A . 67 ILE CG1 1 1 18 21735 1 1 67 ILE CG2 C 4.607 -14.033 -1.277 1.00 . A A . 67 ILE CG2 1 1 18 21736 1 1 67 ILE H H 3.972 -10.993 1.389 1.00 . A A . 67 ILE H 1 1 18 21737 1 1 67 ILE HA H 2.685 -13.445 0.464 1.00 . A A . 67 ILE HA 1 1 18 21738 1 1 67 ILE HB H 5.507 -12.461 -0.140 1.00 . A A . 67 ILE HB 1 1 18 21739 1 1 67 ILE HD11 H 4.194 -9.531 -1.755 1.00 . A A . 67 ILE HD11 1 1 18 21740 1 1 67 ILE HD12 H 4.473 -9.952 -0.061 1.00 . A A . 67 ILE HD12 1 1 18 21741 1 1 67 ILE HD13 H 5.685 -10.372 -1.281 1.00 . A A . 67 ILE HD13 1 1 18 21742 1 1 67 ILE HG12 H 4.100 -11.871 -2.388 1.00 . A A . 67 ILE HG12 1 1 18 21743 1 1 67 ILE HG13 H 2.852 -11.530 -1.189 1.00 . A A . 67 ILE HG13 1 1 18 21744 1 1 67 ILE HG21 H 5.267 -13.868 -2.130 1.00 . A A . 67 ILE HG21 1 1 18 21745 1 1 67 ILE HG22 H 5.020 -14.845 -0.681 1.00 . A A . 67 ILE HG22 1 1 18 21746 1 1 67 ILE HG23 H 3.622 -14.326 -1.642 1.00 . A A . 67 ILE HG23 1 1 18 21747 1 1 67 ILE N N 3.346 -11.772 1.511 1.00 . A A . 67 ILE N 1 1 18 21748 1 1 67 ILE O O 5.526 -14.068 1.822 1.00 . A A . 67 ILE O 1 1 18 21749 1 1 68 LYS C C 2.906 -16.713 3.764 1.00 . A A . 68 LYS C 1 1 18 21750 1 1 68 LYS CA C 3.993 -15.667 3.526 1.00 . A A . 68 LYS CA 1 1 18 21751 1 1 68 LYS CB C 4.450 -15.001 4.830 1.00 . A A . 68 LYS CB 1 1 18 21752 1 1 68 LYS CD C 6.487 -16.498 5.366 1.00 . A A . 68 LYS CD 1 1 18 21753 1 1 68 LYS CE C 6.476 -17.844 4.614 1.00 . A A . 68 LYS CE 1 1 18 21754 1 1 68 LYS CG C 5.122 -15.952 5.833 1.00 . A A . 68 LYS CG 1 1 18 21755 1 1 68 LYS H H 2.500 -14.498 2.585 1.00 . A A . 68 LYS H 1 1 18 21756 1 1 68 LYS HA H 4.836 -16.155 3.049 1.00 . A A . 68 LYS HA 1 1 18 21757 1 1 68 LYS HB2 H 5.146 -14.198 4.592 1.00 . A A . 68 LYS HB2 1 1 18 21758 1 1 68 LYS HB3 H 3.575 -14.557 5.308 1.00 . A A . 68 LYS HB3 1 1 18 21759 1 1 68 LYS HD2 H 6.973 -15.745 4.739 1.00 . A A . 68 LYS HD2 1 1 18 21760 1 1 68 LYS HD3 H 7.110 -16.614 6.257 1.00 . A A . 68 LYS HD3 1 1 18 21761 1 1 68 LYS HE2 H 6.231 -17.696 3.561 1.00 . A A . 68 LYS HE2 1 1 18 21762 1 1 68 LYS HE3 H 7.481 -18.268 4.663 1.00 . A A . 68 LYS HE3 1 1 18 21763 1 1 68 LYS HG2 H 5.310 -15.366 6.732 1.00 . A A . 68 LYS HG2 1 1 18 21764 1 1 68 LYS HG3 H 4.420 -16.722 6.141 1.00 . A A . 68 LYS HG3 1 1 18 21765 1 1 68 LYS HZ1 H 4.572 -18.486 4.956 1.00 . A A . 68 LYS HZ1 1 1 18 21766 1 1 68 LYS HZ2 H 5.620 -19.716 4.755 1.00 . A A . 68 LYS HZ2 1 1 18 21767 1 1 68 LYS HZ3 H 5.602 -18.870 6.187 1.00 . A A . 68 LYS HZ3 1 1 18 21768 1 1 68 LYS N N 3.504 -14.652 2.608 1.00 . A A . 68 LYS N 1 1 18 21769 1 1 68 LYS NZ N 5.513 -18.809 5.183 1.00 . A A . 68 LYS NZ 1 1 18 21770 1 1 68 LYS O O 1.731 -16.376 3.511 1.00 . A A . 68 LYS O 1 1 18 21771 1 1 68 LYS OXT O 3.282 -17.825 4.207 1.00 . A A . 68 LYS OXT 1 1 18 21772 2 2 1 HEC C1A C 7.193 8.328 -3.458 1.00 . B A . 69 HEC C1A 1 1 18 21773 2 2 1 HEC C1B C 4.580 9.554 -6.583 1.00 . B A . 69 HEC C1B 1 1 18 21774 2 2 1 HEC C1C C 1.769 6.545 -5.416 1.00 . B A . 69 HEC C1C 1 1 18 21775 2 2 1 HEC C1D C 4.194 5.670 -2.063 1.00 . B A . 69 HEC C1D 1 1 18 21776 2 2 1 HEC C2A C 8.266 9.243 -3.768 1.00 . B A . 69 HEC C2A 1 1 18 21777 2 2 1 HEC C2B C 3.846 10.034 -7.729 1.00 . B A . 69 HEC C2B 1 1 18 21778 2 2 1 HEC C2C C 0.646 5.718 -5.038 1.00 . B A . 69 HEC C2C 1 1 18 21779 2 2 1 HEC C2D C 4.948 5.160 -0.950 1.00 . B A . 69 HEC C2D 1 1 18 21780 2 2 1 HEC C3A C 7.818 10.047 -4.783 1.00 . B A . 69 HEC C3A 1 1 18 21781 2 2 1 HEC C3B C 2.707 9.270 -7.831 1.00 . B A . 69 HEC C3B 1 1 18 21782 2 2 1 HEC C3C C 0.929 5.187 -3.799 1.00 . B A . 69 HEC C3C 1 1 18 21783 2 2 1 HEC C3D C 6.179 5.750 -0.997 1.00 . B A . 69 HEC C3D 1 1 18 21784 2 2 1 HEC C4A C 6.500 9.577 -5.139 1.00 . B A . 69 HEC C4A 1 1 18 21785 2 2 1 HEC C4B C 2.786 8.252 -6.800 1.00 . B A . 69 HEC C4B 1 1 18 21786 2 2 1 HEC C4C C 2.254 5.653 -3.450 1.00 . B A . 69 HEC C4C 1 1 18 21787 2 2 1 HEC C4D C 6.195 6.594 -2.162 1.00 . B A . 69 HEC C4D 1 1 18 21788 2 2 1 HEC CAA C 9.673 9.218 -3.217 1.00 . B A . 69 HEC CAA 1 1 18 21789 2 2 1 HEC CAB C 1.450 9.667 -8.580 1.00 . B A . 69 HEC CAB 1 1 18 21790 2 2 1 HEC CAC C -0.022 4.425 -2.882 1.00 . B A . 69 HEC CAC 1 1 18 21791 2 2 1 HEC CAD C 7.073 5.942 0.185 1.00 . B A . 69 HEC CAD 1 1 18 21792 2 2 1 HEC CBA C 10.575 8.261 -4.003 1.00 . B A . 69 HEC CBA 1 1 18 21793 2 2 1 HEC CBB C 1.632 10.124 -10.033 1.00 . B A . 69 HEC CBB 1 1 18 21794 2 2 1 HEC CBC C -0.444 3.037 -3.376 1.00 . B A . 69 HEC CBC 1 1 18 21795 2 2 1 HEC CBD C 8.178 4.929 0.475 1.00 . B A . 69 HEC CBD 1 1 18 21796 2 2 1 HEC CGA C 12.051 8.447 -3.643 1.00 . B A . 69 HEC CGA 1 1 18 21797 2 2 1 HEC CGD C 8.859 5.350 1.784 1.00 . B A . 69 HEC CGD 1 1 18 21798 2 2 1 HEC CHA C 7.249 7.411 -2.454 1.00 . B A . 69 HEC CHA 1 1 18 21799 2 2 1 HEC CHB C 5.773 10.104 -6.165 1.00 . B A . 69 HEC CHB 1 1 18 21800 2 2 1 HEC CHC C 1.786 7.324 -6.549 1.00 . B A . 69 HEC CHC 1 1 18 21801 2 2 1 HEC CHD C 2.915 5.283 -2.305 1.00 . B A . 69 HEC CHD 1 1 18 21802 2 2 1 HEC CMA C 8.595 11.157 -5.454 1.00 . B A . 69 HEC CMA 1 1 18 21803 2 2 1 HEC CMB C 4.226 11.179 -8.645 1.00 . B A . 69 HEC CMB 1 1 18 21804 2 2 1 HEC CMC C -0.649 5.608 -5.805 1.00 . B A . 69 HEC CMC 1 1 18 21805 2 2 1 HEC CMD C 4.483 4.163 0.080 1.00 . B A . 69 HEC CMD 1 1 18 21806 2 2 1 HEC FE FE 4.431 7.517 -4.420 1.00 . B A . 69 HEC FE 1 1 18 21807 2 2 1 HEC HAA1 H 10.114 10.214 -3.273 1.00 . B A . 69 HEC HAA1 1 1 18 21808 2 2 1 HEC HAA2 H 9.693 8.927 -2.169 1.00 . B A . 69 HEC HAA2 1 1 18 21809 2 2 1 HEC HAB H 0.781 8.814 -8.630 1.00 . B A . 69 HEC HAB 1 1 18 21810 2 2 1 HEC HAC H 0.442 4.271 -1.914 1.00 . B A . 69 HEC HAC 1 1 18 21811 2 2 1 HEC HAD1 H 7.544 6.907 0.099 1.00 . B A . 69 HEC HAD1 1 1 18 21812 2 2 1 HEC HAD2 H 6.422 5.988 1.041 1.00 . B A . 69 HEC HAD2 1 1 18 21813 2 2 1 HEC HBA1 H 10.259 7.235 -3.805 1.00 . B A . 69 HEC HBA1 1 1 18 21814 2 2 1 HEC HBA2 H 10.449 8.455 -5.071 1.00 . B A . 69 HEC HBA2 1 1 18 21815 2 2 1 HEC HBB1 H 2.312 9.449 -10.554 1.00 . B A . 69 HEC HBB1 1 1 18 21816 2 2 1 HEC HBB2 H 0.671 10.098 -10.546 1.00 . B A . 69 HEC HBB2 1 1 18 21817 2 2 1 HEC HBB3 H 2.003 11.144 -10.084 1.00 . B A . 69 HEC HBB3 1 1 18 21818 2 2 1 HEC HBC1 H -0.878 2.472 -2.551 1.00 . B A . 69 HEC HBC1 1 1 18 21819 2 2 1 HEC HBC2 H -1.200 3.119 -4.153 1.00 . B A . 69 HEC HBC2 1 1 18 21820 2 2 1 HEC HBC3 H 0.418 2.488 -3.757 1.00 . B A . 69 HEC HBC3 1 1 18 21821 2 2 1 HEC HBD1 H 7.746 3.934 0.579 1.00 . B A . 69 HEC HBD1 1 1 18 21822 2 2 1 HEC HBD2 H 8.899 4.929 -0.343 1.00 . B A . 69 HEC HBD2 1 1 18 21823 2 2 1 HEC HHA H 8.124 7.349 -1.835 1.00 . B A . 69 HEC HHA 1 1 18 21824 2 2 1 HEC HHB H 6.175 10.961 -6.659 1.00 . B A . 69 HEC HHB 1 1 18 21825 2 2 1 HEC HHC H 0.944 7.252 -7.207 1.00 . B A . 69 HEC HHC 1 1 18 21826 2 2 1 HEC HHD H 2.463 4.624 -1.593 1.00 . B A . 69 HEC HHD 1 1 18 21827 2 2 1 HEC HMA1 H 9.663 11.034 -5.276 1.00 . B A . 69 HEC HMA1 1 1 18 21828 2 2 1 HEC HMA2 H 8.439 11.130 -6.531 1.00 . B A . 69 HEC HMA2 1 1 18 21829 2 2 1 HEC HMA3 H 8.275 12.118 -5.055 1.00 . B A . 69 HEC HMA3 1 1 18 21830 2 2 1 HEC HMB1 H 4.234 10.823 -9.673 1.00 . B A . 69 HEC HMB1 1 1 18 21831 2 2 1 HEC HMB2 H 3.491 11.976 -8.530 1.00 . B A . 69 HEC HMB2 1 1 18 21832 2 2 1 HEC HMB3 H 5.210 11.584 -8.433 1.00 . B A . 69 HEC HMB3 1 1 18 21833 2 2 1 HEC HMC1 H -0.458 5.107 -6.747 1.00 . B A . 69 HEC HMC1 1 1 18 21834 2 2 1 HEC HMC2 H -1.391 5.043 -5.249 1.00 . B A . 69 HEC HMC2 1 1 18 21835 2 2 1 HEC HMC3 H -1.046 6.607 -5.985 1.00 . B A . 69 HEC HMC3 1 1 18 21836 2 2 1 HEC HMD1 H 3.817 4.637 0.796 1.00 . B A . 69 HEC HMD1 1 1 18 21837 2 2 1 HEC HMD2 H 3.959 3.349 -0.417 1.00 . B A . 69 HEC HMD2 1 1 18 21838 2 2 1 HEC HMD3 H 5.343 3.754 0.610 1.00 . B A . 69 HEC HMD3 1 1 18 21839 2 2 1 HEC NA N 6.162 8.565 -4.315 1.00 . B A . 69 HEC NA 1 1 18 21840 2 2 1 HEC NB N 3.912 8.491 -6.062 1.00 . B A . 69 HEC NB 1 1 18 21841 2 2 1 HEC NC N 2.702 6.476 -4.441 1.00 . B A . 69 HEC NC 1 1 18 21842 2 2 1 HEC ND N 4.984 6.519 -2.762 1.00 . B A . 69 HEC ND 1 1 18 21843 2 2 1 HEC O1A O 12.629 9.446 -4.128 1.00 . B A . 69 HEC O1A 1 1 18 21844 2 2 1 HEC O1D O 9.502 4.492 2.421 1.00 . B A . 69 HEC O1D 1 1 18 21845 2 2 1 HEC O2A O 12.573 7.597 -2.890 1.00 . B A . 69 HEC O2A 1 1 18 21846 2 2 1 HEC O2D O 8.632 6.525 2.175 1.00 . B A . 69 HEC O2D 1 1 18 21847 3 2 1 HEC C1A C -1.780 -4.469 -4.620 1.00 . C A . 70 HEC C1A 1 1 18 21848 3 2 1 HEC C1B C -0.305 -2.313 -1.251 1.00 . C A . 70 HEC C1B 1 1 18 21849 3 2 1 HEC C1C C -3.270 0.722 -1.863 1.00 . C A . 70 HEC C1C 1 1 18 21850 3 2 1 HEC C1D C -4.860 -1.517 -5.116 1.00 . C A . 70 HEC C1D 1 1 18 21851 3 2 1 HEC C2A C -0.870 -5.594 -4.518 1.00 . C A . 70 HEC C2A 1 1 18 21852 3 2 1 HEC C2B C 0.276 -1.725 -0.074 1.00 . C A . 70 HEC C2B 1 1 18 21853 3 2 1 HEC C2C C -4.190 1.830 -1.966 1.00 . C A . 70 HEC C2C 1 1 18 21854 3 2 1 HEC C2D C -5.451 -2.116 -6.293 1.00 . C A . 70 HEC C2D 1 1 18 21855 3 2 1 HEC C3A C -0.064 -5.360 -3.431 1.00 . C A . 70 HEC C3A 1 1 18 21856 3 2 1 HEC C3B C -0.378 -0.539 0.160 1.00 . C A . 70 HEC C3B 1 1 18 21857 3 2 1 HEC C3C C -5.163 1.462 -2.868 1.00 . C A . 70 HEC C3C 1 1 18 21858 3 2 1 HEC C3D C -4.643 -3.161 -6.661 1.00 . C A . 70 HEC C3D 1 1 18 21859 3 2 1 HEC C4A C -0.455 -4.091 -2.867 1.00 . C A . 70 HEC C4A 1 1 18 21860 3 2 1 HEC C4B C -1.388 -0.406 -0.869 1.00 . C A . 70 HEC C4B 1 1 18 21861 3 2 1 HEC C4C C -4.674 0.261 -3.510 1.00 . C A . 70 HEC C4C 1 1 18 21862 3 2 1 HEC C4D C -3.664 -3.325 -5.610 1.00 . C A . 70 HEC C4D 1 1 18 21863 3 2 1 HEC CAA C -0.814 -6.831 -5.398 1.00 . C A . 70 HEC CAA 1 1 18 21864 3 2 1 HEC CAB C -0.084 0.443 1.281 1.00 . C A . 70 HEC CAB 1 1 18 21865 3 2 1 HEC CAC C -6.577 2.022 -3.020 1.00 . C A . 70 HEC CAC 1 1 18 21866 3 2 1 HEC CAD C -4.530 -3.704 -8.074 1.00 . C A . 70 HEC CAD 1 1 18 21867 3 2 1 HEC CBA C -1.346 -8.115 -4.732 1.00 . C A . 70 HEC CBA 1 1 18 21868 3 2 1 HEC CBB C 1.291 1.100 1.137 1.00 . C A . 70 HEC CBB 1 1 18 21869 3 2 1 HEC CBC C -6.773 2.951 -4.215 1.00 . C A . 70 HEC CBC 1 1 18 21870 3 2 1 HEC CBD C -5.628 -4.658 -8.563 1.00 . C A . 70 HEC CBD 1 1 18 21871 3 2 1 HEC CGA C -2.856 -8.097 -4.448 1.00 . C A . 70 HEC CGA 1 1 18 21872 3 2 1 HEC CGD C -5.713 -4.563 -10.091 1.00 . C A . 70 HEC CGD 1 1 18 21873 3 2 1 HEC CHA C -2.731 -4.328 -5.605 1.00 . C A . 70 HEC CHA 1 1 18 21874 3 2 1 HEC CHB C 0.112 -3.530 -1.744 1.00 . C A . 70 HEC CHB 1 1 18 21875 3 2 1 HEC CHC C -2.274 0.649 -0.925 1.00 . C A . 70 HEC CHC 1 1 18 21876 3 2 1 HEC CHD C -5.330 -0.360 -4.539 1.00 . C A . 70 HEC CHD 1 1 18 21877 3 2 1 HEC CMA C 0.999 -6.293 -2.902 1.00 . C A . 70 HEC CMA 1 1 18 21878 3 2 1 HEC CMB C 1.354 -2.363 0.764 1.00 . C A . 70 HEC CMB 1 1 18 21879 3 2 1 HEC CMC C -4.050 3.158 -1.256 1.00 . C A . 70 HEC CMC 1 1 18 21880 3 2 1 HEC CMD C -6.655 -1.634 -7.077 1.00 . C A . 70 HEC CMD 1 1 18 21881 3 2 1 HEC FE FE -2.475 -1.878 -3.218 1.00 . C A . 70 HEC FE 1 1 18 21882 3 2 1 HEC HAA1 H -1.378 -6.678 -6.314 1.00 . C A . 70 HEC HAA1 1 1 18 21883 3 2 1 HEC HAA2 H 0.222 -6.996 -5.688 1.00 . C A . 70 HEC HAA2 1 1 18 21884 3 2 1 HEC HAB H -0.790 1.264 1.261 1.00 . C A . 70 HEC HAB 1 1 18 21885 3 2 1 HEC HAC H -7.250 1.176 -3.160 1.00 . C A . 70 HEC HAC 1 1 18 21886 3 2 1 HEC HAD1 H -4.550 -2.832 -8.727 1.00 . C A . 70 HEC HAD1 1 1 18 21887 3 2 1 HEC HAD2 H -3.567 -4.186 -8.234 1.00 . C A . 70 HEC HAD2 1 1 18 21888 3 2 1 HEC HBA1 H -1.132 -8.947 -5.404 1.00 . C A . 70 HEC HBA1 1 1 18 21889 3 2 1 HEC HBA2 H -0.808 -8.287 -3.800 1.00 . C A . 70 HEC HBA2 1 1 18 21890 3 2 1 HEC HBB1 H 1.314 2.043 1.678 1.00 . C A . 70 HEC HBB1 1 1 18 21891 3 2 1 HEC HBB2 H 2.067 0.450 1.530 1.00 . C A . 70 HEC HBB2 1 1 18 21892 3 2 1 HEC HBB3 H 1.493 1.314 0.087 1.00 . C A . 70 HEC HBB3 1 1 18 21893 3 2 1 HEC HBC1 H -7.817 3.263 -4.275 1.00 . C A . 70 HEC HBC1 1 1 18 21894 3 2 1 HEC HBC2 H -6.152 3.837 -4.092 1.00 . C A . 70 HEC HBC2 1 1 18 21895 3 2 1 HEC HBC3 H -6.516 2.429 -5.129 1.00 . C A . 70 HEC HBC3 1 1 18 21896 3 2 1 HEC HBD1 H -5.400 -5.676 -8.247 1.00 . C A . 70 HEC HBD1 1 1 18 21897 3 2 1 HEC HBD2 H -6.592 -4.374 -8.140 1.00 . C A . 70 HEC HBD2 1 1 18 21898 3 2 1 HEC HHA H -2.856 -5.126 -6.312 1.00 . C A . 70 HEC HHA 1 1 18 21899 3 2 1 HEC HHB H 0.882 -4.060 -1.210 1.00 . C A . 70 HEC HHB 1 1 18 21900 3 2 1 HEC HHC H -2.258 1.395 -0.147 1.00 . C A . 70 HEC HHC 1 1 18 21901 3 2 1 HEC HHD H -6.205 0.114 -4.932 1.00 . C A . 70 HEC HHD 1 1 18 21902 3 2 1 HEC HMA1 H 1.449 -6.851 -3.721 1.00 . C A . 70 HEC HMA1 1 1 18 21903 3 2 1 HEC HMA2 H 1.787 -5.737 -2.402 1.00 . C A . 70 HEC HMA2 1 1 18 21904 3 2 1 HEC HMA3 H 0.543 -6.992 -2.202 1.00 . C A . 70 HEC HMA3 1 1 18 21905 3 2 1 HEC HMB1 H 1.599 -1.753 1.627 1.00 . C A . 70 HEC HMB1 1 1 18 21906 3 2 1 HEC HMB2 H 0.996 -3.332 1.110 1.00 . C A . 70 HEC HMB2 1 1 18 21907 3 2 1 HEC HMB3 H 2.246 -2.489 0.156 1.00 . C A . 70 HEC HMB3 1 1 18 21908 3 2 1 HEC HMC1 H -4.547 3.944 -1.823 1.00 . C A . 70 HEC HMC1 1 1 18 21909 3 2 1 HEC HMC2 H -4.478 3.104 -0.258 1.00 . C A . 70 HEC HMC2 1 1 18 21910 3 2 1 HEC HMC3 H -2.997 3.418 -1.166 1.00 . C A . 70 HEC HMC3 1 1 18 21911 3 2 1 HEC HMD1 H -6.327 -1.254 -8.044 1.00 . C A . 70 HEC HMD1 1 1 18 21912 3 2 1 HEC HMD2 H -7.327 -2.474 -7.242 1.00 . C A . 70 HEC HMD2 1 1 18 21913 3 2 1 HEC HMD3 H -7.212 -0.861 -6.558 1.00 . C A . 70 HEC HMD3 1 1 18 21914 3 2 1 HEC NA N -1.488 -3.598 -3.597 1.00 . C A . 70 HEC NA 1 1 18 21915 3 2 1 HEC NB N -1.289 -1.490 -1.700 1.00 . C A . 70 HEC NB 1 1 18 21916 3 2 1 HEC NC N -3.557 -0.159 -2.849 1.00 . C A . 70 HEC NC 1 1 18 21917 3 2 1 HEC ND N -3.791 -2.274 -4.745 1.00 . C A . 70 HEC ND 1 1 18 21918 3 2 1 HEC O1A O -3.420 -9.177 -4.161 1.00 . C A . 70 HEC O1A 1 1 18 21919 3 2 1 HEC O1D O -6.528 -3.770 -10.615 1.00 . C A . 70 HEC O1D 1 1 18 21920 3 2 1 HEC O2A O -3.451 -6.997 -4.525 1.00 . C A . 70 HEC O2A 1 1 18 21921 3 2 1 HEC O2D O -4.838 -5.090 -10.811 1.00 . C A . 70 HEC O2D 1 1 18 21922 4 2 1 HEC C1A C 2.811 -5.974 9.811 1.00 . D A . 71 HEC C1A 1 1 18 21923 4 2 1 HEC C1B C -0.390 -8.826 9.793 1.00 . D A . 71 HEC C1B 1 1 18 21924 4 2 1 HEC C1C C -1.849 -7.107 6.180 1.00 . D A . 71 HEC C1C 1 1 18 21925 4 2 1 HEC C1D C 1.495 -4.484 6.002 1.00 . D A . 71 HEC C1D 1 1 18 21926 4 2 1 HEC C2A C 3.383 -6.386 11.075 1.00 . D A . 71 HEC C2A 1 1 18 21927 4 2 1 HEC C2B C -1.448 -9.796 9.954 1.00 . D A . 71 HEC C2B 1 1 18 21928 4 2 1 HEC C2C C -2.434 -6.736 4.917 1.00 . D A . 71 HEC C2C 1 1 18 21929 4 2 1 HEC C2D C 2.578 -3.547 5.817 1.00 . D A . 71 HEC C2D 1 1 18 21930 4 2 1 HEC C3A C 2.533 -7.320 11.611 1.00 . D A . 71 HEC C3A 1 1 18 21931 4 2 1 HEC C3B C -2.375 -9.556 8.965 1.00 . D A . 71 HEC C3B 1 1 18 21932 4 2 1 HEC C3C C -1.664 -5.721 4.399 1.00 . D A . 71 HEC C3C 1 1 18 21933 4 2 1 HEC C3D C 3.362 -3.622 6.937 1.00 . D A . 71 HEC C3D 1 1 18 21934 4 2 1 HEC C4A C 1.551 -7.636 10.597 1.00 . D A . 71 HEC C4A 1 1 18 21935 4 2 1 HEC C4B C -1.792 -8.552 8.098 1.00 . D A . 71 HEC C4B 1 1 18 21936 4 2 1 HEC C4C C -0.540 -5.556 5.303 1.00 . D A . 71 HEC C4C 1 1 18 21937 4 2 1 HEC C4D C 2.779 -4.603 7.819 1.00 . D A . 71 HEC C4D 1 1 18 21938 4 2 1 HEC CAA C 4.643 -5.851 11.726 1.00 . D A . 71 HEC CAA 1 1 18 21939 4 2 1 HEC CAB C -3.834 -9.999 8.961 1.00 . D A . 71 HEC CAB 1 1 18 21940 4 2 1 HEC CAC C -1.935 -4.945 3.116 1.00 . D A . 71 HEC CAC 1 1 18 21941 4 2 1 HEC CAD C 4.559 -2.769 7.243 1.00 . D A . 71 HEC CAD 1 1 18 21942 4 2 1 HEC CBA C 5.955 -6.426 11.162 1.00 . D A . 71 HEC CBA 1 1 18 21943 4 2 1 HEC CBB C -4.578 -9.649 10.254 1.00 . D A . 71 HEC CBB 1 1 18 21944 4 2 1 HEC CBC C -3.313 -4.271 3.082 1.00 . D A . 71 HEC CBC 1 1 18 21945 4 2 1 HEC CBD C 5.891 -3.515 7.360 1.00 . D A . 71 HEC CBD 1 1 18 21946 4 2 1 HEC CGA C 6.258 -7.853 11.622 1.00 . D A . 71 HEC CGA 1 1 18 21947 4 2 1 HEC CGD C 6.615 -3.174 8.672 1.00 . D A . 71 HEC CGD 1 1 18 21948 4 2 1 HEC CHA C 3.333 -4.972 9.026 1.00 . D A . 71 HEC CHA 1 1 18 21949 4 2 1 HEC CHB C 0.599 -8.629 10.732 1.00 . D A . 71 HEC CHB 1 1 18 21950 4 2 1 HEC CHC C -2.391 -8.093 6.954 1.00 . D A . 71 HEC CHC 1 1 18 21951 4 2 1 HEC CHD C 0.498 -4.681 5.076 1.00 . D A . 71 HEC CHD 1 1 18 21952 4 2 1 HEC CMA C 2.560 -7.806 13.045 1.00 . D A . 71 HEC CMA 1 1 18 21953 4 2 1 HEC CMB C -1.547 -10.820 11.060 1.00 . D A . 71 HEC CMB 1 1 18 21954 4 2 1 HEC CMC C -3.583 -7.470 4.258 1.00 . D A . 71 HEC CMC 1 1 18 21955 4 2 1 HEC CMD C 2.873 -2.693 4.606 1.00 . D A . 71 HEC CMD 1 1 18 21956 4 2 1 HEC FE FE 0.528 -6.585 7.980 1.00 . D A . 71 HEC FE 1 1 18 21957 4 2 1 HEC HAA1 H 4.667 -4.776 11.575 1.00 . D A . 71 HEC HAA1 1 1 18 21958 4 2 1 HEC HAA2 H 4.627 -6.029 12.800 1.00 . D A . 71 HEC HAA2 1 1 18 21959 4 2 1 HEC HAB H -4.359 -9.460 8.187 1.00 . D A . 71 HEC HAB 1 1 18 21960 4 2 1 HEC HAC H -1.216 -4.139 3.006 1.00 . D A . 71 HEC HAC 1 1 18 21961 4 2 1 HEC HAD1 H 4.673 -1.940 6.549 1.00 . D A . 71 HEC HAD1 1 1 18 21962 4 2 1 HEC HAD2 H 4.318 -2.373 8.214 1.00 . D A . 71 HEC HAD2 1 1 18 21963 4 2 1 HEC HBA1 H 5.897 -6.409 10.075 1.00 . D A . 71 HEC HBA1 1 1 18 21964 4 2 1 HEC HBA2 H 6.780 -5.793 11.493 1.00 . D A . 71 HEC HBA2 1 1 18 21965 4 2 1 HEC HBB1 H -5.639 -9.866 10.132 1.00 . D A . 71 HEC HBB1 1 1 18 21966 4 2 1 HEC HBB2 H -4.201 -10.228 11.095 1.00 . D A . 71 HEC HBB2 1 1 18 21967 4 2 1 HEC HBB3 H -4.459 -8.586 10.469 1.00 . D A . 71 HEC HBB3 1 1 18 21968 4 2 1 HEC HBC1 H -3.408 -3.677 2.172 1.00 . D A . 71 HEC HBC1 1 1 18 21969 4 2 1 HEC HBC2 H -4.117 -5.002 3.105 1.00 . D A . 71 HEC HBC2 1 1 18 21970 4 2 1 HEC HBC3 H -3.409 -3.616 3.946 1.00 . D A . 71 HEC HBC3 1 1 18 21971 4 2 1 HEC HBD1 H 5.679 -4.584 7.327 1.00 . D A . 71 HEC HBD1 1 1 18 21972 4 2 1 HEC HBD2 H 6.521 -3.261 6.507 1.00 . D A . 71 HEC HBD2 1 1 18 21973 4 2 1 HEC HHA H 4.248 -4.499 9.348 1.00 . D A . 71 HEC HHA 1 1 18 21974 4 2 1 HEC HHB H 0.593 -9.243 11.611 1.00 . D A . 71 HEC HHB 1 1 18 21975 4 2 1 HEC HHC H -3.312 -8.525 6.618 1.00 . D A . 71 HEC HHC 1 1 18 21976 4 2 1 HEC HHD H 0.534 -4.145 4.146 1.00 . D A . 71 HEC HHD 1 1 18 21977 4 2 1 HEC HMA1 H 1.626 -8.287 13.325 1.00 . D A . 71 HEC HMA1 1 1 18 21978 4 2 1 HEC HMA2 H 3.394 -8.488 13.199 1.00 . D A . 71 HEC HMA2 1 1 18 21979 4 2 1 HEC HMA3 H 2.699 -6.948 13.699 1.00 . D A . 71 HEC HMA3 1 1 18 21980 4 2 1 HEC HMB1 H -1.829 -10.330 11.992 1.00 . D A . 71 HEC HMB1 1 1 18 21981 4 2 1 HEC HMB2 H -2.289 -11.576 10.806 1.00 . D A . 71 HEC HMB2 1 1 18 21982 4 2 1 HEC HMB3 H -0.586 -11.318 11.183 1.00 . D A . 71 HEC HMB3 1 1 18 21983 4 2 1 HEC HMC1 H -3.365 -8.537 4.276 1.00 . D A . 71 HEC HMC1 1 1 18 21984 4 2 1 HEC HMC2 H -4.504 -7.284 4.811 1.00 . D A . 71 HEC HMC2 1 1 18 21985 4 2 1 HEC HMC3 H -3.705 -7.170 3.222 1.00 . D A . 71 HEC HMC3 1 1 18 21986 4 2 1 HEC HMD1 H 3.221 -1.705 4.898 1.00 . D A . 71 HEC HMD1 1 1 18 21987 4 2 1 HEC HMD2 H 3.674 -3.183 4.063 1.00 . D A . 71 HEC HMD2 1 1 18 21988 4 2 1 HEC HMD3 H 2.008 -2.569 3.961 1.00 . D A . 71 HEC HMD3 1 1 18 21989 4 2 1 HEC NA N 1.723 -6.765 9.565 1.00 . D A . 71 HEC NA 1 1 18 21990 4 2 1 HEC NB N -0.618 -8.130 8.650 1.00 . D A . 71 HEC NB 1 1 18 21991 4 2 1 HEC NC N -0.721 -6.394 6.372 1.00 . D A . 71 HEC NC 1 1 18 21992 4 2 1 HEC ND N 1.664 -5.091 7.218 1.00 . D A . 71 HEC ND 1 1 18 21993 4 2 1 HEC O1A O 6.845 -8.651 10.844 1.00 . D A . 71 HEC O1A 1 1 18 21994 4 2 1 HEC O1D O 6.667 -1.974 9.017 1.00 . D A . 71 HEC O1D 1 1 18 21995 4 2 1 HEC O2A O 5.811 -8.248 12.724 1.00 . D A . 71 HEC O2A 1 1 18 21996 4 2 1 HEC O2D O 7.021 -4.127 9.368 1.00 . D A . 71 HEC O2D 1 1 19 21997 1 1 1 ALA C C 7.307 4.123 -9.025 1.00 . A A . 1 ALA C 1 1 19 21998 1 1 1 ALA CA C 7.711 5.531 -8.595 1.00 . A A . 1 ALA CA 1 1 19 21999 1 1 1 ALA CB C 9.012 5.544 -7.789 1.00 . A A . 1 ALA CB 1 1 19 22000 1 1 1 ALA H1 H 6.131 5.333 -7.339 1.00 . A A . 1 ALA H1 1 1 19 22001 1 1 1 ALA H2 H 6.864 6.748 -7.089 1.00 . A A . 1 ALA H2 1 1 19 22002 1 1 1 ALA H3 H 5.889 6.502 -8.397 1.00 . A A . 1 ALA H3 1 1 19 22003 1 1 1 ALA HA H 7.861 6.148 -9.481 1.00 . A A . 1 ALA HA 1 1 19 22004 1 1 1 ALA HB1 H 9.860 5.281 -8.423 1.00 . A A . 1 ALA HB1 1 1 19 22005 1 1 1 ALA HB2 H 9.175 6.549 -7.401 1.00 . A A . 1 ALA HB2 1 1 19 22006 1 1 1 ALA HB3 H 8.968 4.842 -6.956 1.00 . A A . 1 ALA HB3 1 1 19 22007 1 1 1 ALA N N 6.599 6.094 -7.814 1.00 . A A . 1 ALA N 1 1 19 22008 1 1 1 ALA O O 6.119 3.813 -8.960 1.00 . A A . 1 ALA O 1 1 19 22009 1 1 2 ASP C C 8.157 1.017 -8.462 1.00 . A A . 2 ASP C 1 1 19 22010 1 1 2 ASP CA C 8.067 1.877 -9.722 1.00 . A A . 2 ASP CA 1 1 19 22011 1 1 2 ASP CB C 9.059 1.453 -10.813 1.00 . A A . 2 ASP CB 1 1 19 22012 1 1 2 ASP CG C 10.495 1.620 -10.341 1.00 . A A . 2 ASP CG 1 1 19 22013 1 1 2 ASP H H 9.232 3.573 -9.508 1.00 . A A . 2 ASP H 1 1 19 22014 1 1 2 ASP HA H 7.060 1.721 -10.087 1.00 . A A . 2 ASP HA 1 1 19 22015 1 1 2 ASP HB2 H 8.899 0.418 -11.112 1.00 . A A . 2 ASP HB2 1 1 19 22016 1 1 2 ASP HB3 H 8.919 2.083 -11.691 1.00 . A A . 2 ASP HB3 1 1 19 22017 1 1 2 ASP N N 8.258 3.286 -9.436 1.00 . A A . 2 ASP N 1 1 19 22018 1 1 2 ASP O O 8.256 1.519 -7.340 1.00 . A A . 2 ASP O 1 1 19 22019 1 1 2 ASP OD1 O 10.814 2.770 -9.962 1.00 . A A . 2 ASP OD1 1 1 19 22020 1 1 2 ASP OD2 O 11.224 0.610 -10.373 1.00 . A A . 2 ASP OD2 1 1 19 22021 1 1 3 VAL C C 8.606 -1.346 -6.560 1.00 . A A . 3 VAL C 1 1 19 22022 1 1 3 VAL CA C 7.560 -1.254 -7.669 1.00 . A A . 3 VAL CA 1 1 19 22023 1 1 3 VAL CB C 7.293 -2.615 -8.339 1.00 . A A . 3 VAL CB 1 1 19 22024 1 1 3 VAL CG1 C 6.842 -3.664 -7.312 1.00 . A A . 3 VAL CG1 1 1 19 22025 1 1 3 VAL CG2 C 6.207 -2.475 -9.417 1.00 . A A . 3 VAL CG2 1 1 19 22026 1 1 3 VAL H H 7.992 -0.603 -9.631 1.00 . A A . 3 VAL H 1 1 19 22027 1 1 3 VAL HA H 6.620 -0.912 -7.236 1.00 . A A . 3 VAL HA 1 1 19 22028 1 1 3 VAL HB H 8.208 -2.974 -8.813 1.00 . A A . 3 VAL HB 1 1 19 22029 1 1 3 VAL HG11 H 5.954 -3.318 -6.784 1.00 . A A . 3 VAL HG11 1 1 19 22030 1 1 3 VAL HG12 H 6.607 -4.600 -7.820 1.00 . A A . 3 VAL HG12 1 1 19 22031 1 1 3 VAL HG13 H 7.634 -3.857 -6.589 1.00 . A A . 3 VAL HG13 1 1 19 22032 1 1 3 VAL HG21 H 6.570 -1.895 -10.265 1.00 . A A . 3 VAL HG21 1 1 19 22033 1 1 3 VAL HG22 H 5.909 -3.458 -9.783 1.00 . A A . 3 VAL HG22 1 1 19 22034 1 1 3 VAL HG23 H 5.336 -1.976 -8.999 1.00 . A A . 3 VAL HG23 1 1 19 22035 1 1 3 VAL N N 7.961 -0.285 -8.675 1.00 . A A . 3 VAL N 1 1 19 22036 1 1 3 VAL O O 9.748 -1.724 -6.810 1.00 . A A . 3 VAL O 1 1 19 22037 1 1 4 VAL C C 8.367 -2.365 -3.342 1.00 . A A . 4 VAL C 1 1 19 22038 1 1 4 VAL CA C 8.995 -1.230 -4.135 1.00 . A A . 4 VAL CA 1 1 19 22039 1 1 4 VAL CB C 9.083 0.085 -3.341 1.00 . A A . 4 VAL CB 1 1 19 22040 1 1 4 VAL CG1 C 9.700 -0.076 -1.940 1.00 . A A . 4 VAL CG1 1 1 19 22041 1 1 4 VAL CG2 C 9.945 1.092 -4.102 1.00 . A A . 4 VAL CG2 1 1 19 22042 1 1 4 VAL H H 7.213 -0.849 -5.173 1.00 . A A . 4 VAL H 1 1 19 22043 1 1 4 VAL HA H 10.010 -1.532 -4.374 1.00 . A A . 4 VAL HA 1 1 19 22044 1 1 4 VAL HB H 8.085 0.504 -3.257 1.00 . A A . 4 VAL HB 1 1 19 22045 1 1 4 VAL HG11 H 9.078 -0.696 -1.298 1.00 . A A . 4 VAL HG11 1 1 19 22046 1 1 4 VAL HG12 H 10.687 -0.534 -2.013 1.00 . A A . 4 VAL HG12 1 1 19 22047 1 1 4 VAL HG13 H 9.799 0.899 -1.464 1.00 . A A . 4 VAL HG13 1 1 19 22048 1 1 4 VAL HG21 H 9.965 2.033 -3.554 1.00 . A A . 4 VAL HG21 1 1 19 22049 1 1 4 VAL HG22 H 10.959 0.703 -4.192 1.00 . A A . 4 VAL HG22 1 1 19 22050 1 1 4 VAL HG23 H 9.535 1.266 -5.093 1.00 . A A . 4 VAL HG23 1 1 19 22051 1 1 4 VAL N N 8.193 -1.038 -5.329 1.00 . A A . 4 VAL N 1 1 19 22052 1 1 4 VAL O O 7.202 -2.725 -3.538 1.00 . A A . 4 VAL O 1 1 19 22053 1 1 5 THR C C 9.143 -3.079 -0.015 1.00 . A A . 5 THR C 1 1 19 22054 1 1 5 THR CA C 8.634 -3.675 -1.323 1.00 . A A . 5 THR CA 1 1 19 22055 1 1 5 THR CB C 8.992 -5.161 -1.491 1.00 . A A . 5 THR CB 1 1 19 22056 1 1 5 THR CG2 C 10.487 -5.416 -1.711 1.00 . A A . 5 THR CG2 1 1 19 22057 1 1 5 THR H H 10.105 -2.584 -2.315 1.00 . A A . 5 THR H 1 1 19 22058 1 1 5 THR HA H 7.556 -3.512 -1.314 1.00 . A A . 5 THR HA 1 1 19 22059 1 1 5 THR HB H 8.447 -5.558 -2.348 1.00 . A A . 5 THR HB 1 1 19 22060 1 1 5 THR HG1 H 7.897 -5.336 0.071 1.00 . A A . 5 THR HG1 1 1 19 22061 1 1 5 THR HG21 H 10.826 -4.944 -2.634 1.00 . A A . 5 THR HG21 1 1 19 22062 1 1 5 THR HG22 H 11.068 -5.033 -0.873 1.00 . A A . 5 THR HG22 1 1 19 22063 1 1 5 THR HG23 H 10.657 -6.490 -1.789 1.00 . A A . 5 THR HG23 1 1 19 22064 1 1 5 THR N N 9.158 -2.916 -2.424 1.00 . A A . 5 THR N 1 1 19 22065 1 1 5 THR O O 10.302 -2.681 0.089 1.00 . A A . 5 THR O 1 1 19 22066 1 1 5 THR OG1 O 8.599 -5.857 -0.335 1.00 . A A . 5 THR OG1 1 1 19 22067 1 1 6 TYR C C 9.187 -4.160 2.813 1.00 . A A . 6 TYR C 1 1 19 22068 1 1 6 TYR CA C 8.633 -2.826 2.356 1.00 . A A . 6 TYR CA 1 1 19 22069 1 1 6 TYR CB C 7.449 -2.417 3.228 1.00 . A A . 6 TYR CB 1 1 19 22070 1 1 6 TYR CD1 C 6.897 -0.034 2.589 1.00 . A A . 6 TYR CD1 1 1 19 22071 1 1 6 TYR CD2 C 5.385 -1.828 1.967 1.00 . A A . 6 TYR CD2 1 1 19 22072 1 1 6 TYR CE1 C 6.034 0.889 1.970 1.00 . A A . 6 TYR CE1 1 1 19 22073 1 1 6 TYR CE2 C 4.473 -0.905 1.448 1.00 . A A . 6 TYR CE2 1 1 19 22074 1 1 6 TYR CG C 6.540 -1.388 2.620 1.00 . A A . 6 TYR CG 1 1 19 22075 1 1 6 TYR CZ C 4.800 0.456 1.447 1.00 . A A . 6 TYR CZ 1 1 19 22076 1 1 6 TYR H H 7.346 -3.440 0.805 1.00 . A A . 6 TYR H 1 1 19 22077 1 1 6 TYR HA H 9.382 -2.042 2.427 1.00 . A A . 6 TYR HA 1 1 19 22078 1 1 6 TYR HB2 H 6.834 -3.293 3.416 1.00 . A A . 6 TYR HB2 1 1 19 22079 1 1 6 TYR HB3 H 7.817 -2.061 4.191 1.00 . A A . 6 TYR HB3 1 1 19 22080 1 1 6 TYR HD1 H 7.879 0.256 2.938 1.00 . A A . 6 TYR HD1 1 1 19 22081 1 1 6 TYR HD2 H 5.280 -2.876 1.764 1.00 . A A . 6 TYR HD2 1 1 19 22082 1 1 6 TYR HE1 H 6.377 1.893 1.787 1.00 . A A . 6 TYR HE1 1 1 19 22083 1 1 6 TYR HE2 H 3.637 -1.261 0.867 1.00 . A A . 6 TYR HE2 1 1 19 22084 1 1 6 TYR HH H 3.965 0.891 -0.217 1.00 . A A . 6 TYR HH 1 1 19 22085 1 1 6 TYR N N 8.253 -3.025 0.975 1.00 . A A . 6 TYR N 1 1 19 22086 1 1 6 TYR O O 8.440 -5.080 3.138 1.00 . A A . 6 TYR O 1 1 19 22087 1 1 6 TYR OH O 4.071 1.281 0.657 1.00 . A A . 6 TYR OH 1 1 19 22088 1 1 7 GLU C C 10.931 -5.356 4.854 1.00 . A A . 7 GLU C 1 1 19 22089 1 1 7 GLU CA C 11.146 -5.446 3.343 1.00 . A A . 7 GLU CA 1 1 19 22090 1 1 7 GLU CB C 12.607 -5.400 2.949 1.00 . A A . 7 GLU CB 1 1 19 22091 1 1 7 GLU CD C 13.535 -7.326 4.371 1.00 . A A . 7 GLU CD 1 1 19 22092 1 1 7 GLU CG C 13.343 -6.736 2.979 1.00 . A A . 7 GLU CG 1 1 19 22093 1 1 7 GLU H H 11.064 -3.525 2.431 1.00 . A A . 7 GLU H 1 1 19 22094 1 1 7 GLU HA H 10.699 -6.346 2.927 1.00 . A A . 7 GLU HA 1 1 19 22095 1 1 7 GLU HB2 H 12.644 -5.056 1.920 1.00 . A A . 7 GLU HB2 1 1 19 22096 1 1 7 GLU HB3 H 13.075 -4.699 3.620 1.00 . A A . 7 GLU HB3 1 1 19 22097 1 1 7 GLU HG2 H 12.786 -7.412 2.340 1.00 . A A . 7 GLU HG2 1 1 19 22098 1 1 7 GLU HG3 H 14.325 -6.574 2.542 1.00 . A A . 7 GLU HG3 1 1 19 22099 1 1 7 GLU N N 10.502 -4.296 2.758 1.00 . A A . 7 GLU N 1 1 19 22100 1 1 7 GLU O O 11.028 -4.278 5.440 1.00 . A A . 7 GLU O 1 1 19 22101 1 1 7 GLU OE1 O 13.839 -6.542 5.294 1.00 . A A . 7 GLU OE1 1 1 19 22102 1 1 7 GLU OE2 O 13.366 -8.560 4.487 1.00 . A A . 7 GLU OE2 1 1 19 22103 1 1 8 ASN C C 10.305 -8.080 7.213 1.00 . A A . 8 ASN C 1 1 19 22104 1 1 8 ASN CA C 10.215 -6.601 6.854 1.00 . A A . 8 ASN CA 1 1 19 22105 1 1 8 ASN CB C 8.815 -6.029 7.101 1.00 . A A . 8 ASN CB 1 1 19 22106 1 1 8 ASN CG C 7.734 -6.926 6.518 1.00 . A A . 8 ASN CG 1 1 19 22107 1 1 8 ASN H H 10.603 -7.337 4.924 1.00 . A A . 8 ASN H 1 1 19 22108 1 1 8 ASN HA H 10.939 -6.045 7.450 1.00 . A A . 8 ASN HA 1 1 19 22109 1 1 8 ASN HB2 H 8.644 -5.948 8.172 1.00 . A A . 8 ASN HB2 1 1 19 22110 1 1 8 ASN HB3 H 8.755 -5.032 6.668 1.00 . A A . 8 ASN HB3 1 1 19 22111 1 1 8 ASN HD21 H 7.074 -5.535 5.225 1.00 . A A . 8 ASN HD21 1 1 19 22112 1 1 8 ASN HD22 H 6.515 -7.202 4.937 1.00 . A A . 8 ASN HD22 1 1 19 22113 1 1 8 ASN N N 10.571 -6.482 5.455 1.00 . A A . 8 ASN N 1 1 19 22114 1 1 8 ASN ND2 N 7.127 -6.551 5.404 1.00 . A A . 8 ASN ND2 1 1 19 22115 1 1 8 ASN O O 10.397 -8.927 6.319 1.00 . A A . 8 ASN O 1 1 19 22116 1 1 8 ASN OD1 O 7.482 -8.010 7.029 1.00 . A A . 8 ASN OD1 1 1 19 22117 1 1 9 LYS C C 9.398 -10.606 9.062 1.00 . A A . 9 LYS C 1 1 19 22118 1 1 9 LYS CA C 10.622 -9.692 9.045 1.00 . A A . 9 LYS CA 1 1 19 22119 1 1 9 LYS CB C 11.234 -9.491 10.433 1.00 . A A . 9 LYS CB 1 1 19 22120 1 1 9 LYS CD C 12.935 -10.508 12.023 1.00 . A A . 9 LYS CD 1 1 19 22121 1 1 9 LYS CE C 14.123 -9.682 11.493 1.00 . A A . 9 LYS CE 1 1 19 22122 1 1 9 LYS CG C 11.840 -10.788 10.983 1.00 . A A . 9 LYS CG 1 1 19 22123 1 1 9 LYS H H 9.899 -7.715 9.179 1.00 . A A . 9 LYS H 1 1 19 22124 1 1 9 LYS HA H 11.383 -10.141 8.404 1.00 . A A . 9 LYS HA 1 1 19 22125 1 1 9 LYS HB2 H 11.999 -8.726 10.323 1.00 . A A . 9 LYS HB2 1 1 19 22126 1 1 9 LYS HB3 H 10.482 -9.114 11.128 1.00 . A A . 9 LYS HB3 1 1 19 22127 1 1 9 LYS HD2 H 12.486 -9.970 12.862 1.00 . A A . 9 LYS HD2 1 1 19 22128 1 1 9 LYS HD3 H 13.298 -11.465 12.401 1.00 . A A . 9 LYS HD3 1 1 19 22129 1 1 9 LYS HE2 H 13.853 -8.623 11.465 1.00 . A A . 9 LYS HE2 1 1 19 22130 1 1 9 LYS HE3 H 14.953 -9.785 12.192 1.00 . A A . 9 LYS HE3 1 1 19 22131 1 1 9 LYS HG2 H 11.037 -11.357 11.459 1.00 . A A . 9 LYS HG2 1 1 19 22132 1 1 9 LYS HG3 H 12.230 -11.406 10.174 1.00 . A A . 9 LYS HG3 1 1 19 22133 1 1 9 LYS HZ1 H 13.821 -9.948 9.477 1.00 . A A . 9 LYS HZ1 1 1 19 22134 1 1 9 LYS HZ2 H 15.364 -9.550 9.857 1.00 . A A . 9 LYS HZ2 1 1 19 22135 1 1 9 LYS HZ3 H 14.822 -11.077 10.145 1.00 . A A . 9 LYS HZ3 1 1 19 22136 1 1 9 LYS N N 10.290 -8.388 8.509 1.00 . A A . 9 LYS N 1 1 19 22137 1 1 9 LYS NZ N 14.565 -10.099 10.145 1.00 . A A . 9 LYS NZ 1 1 19 22138 1 1 9 LYS O O 9.536 -11.811 8.860 1.00 . A A . 9 LYS O 1 1 19 22139 1 1 10 LYS C C 6.873 -11.433 7.731 1.00 . A A . 10 LYS C 1 1 19 22140 1 1 10 LYS CA C 6.948 -10.772 9.116 1.00 . A A . 10 LYS CA 1 1 19 22141 1 1 10 LYS CB C 5.784 -9.797 9.356 1.00 . A A . 10 LYS CB 1 1 19 22142 1 1 10 LYS CD C 3.879 -11.552 9.450 1.00 . A A . 10 LYS CD 1 1 19 22143 1 1 10 LYS CE C 3.909 -11.599 10.984 1.00 . A A . 10 LYS CE 1 1 19 22144 1 1 10 LYS CG C 4.386 -10.217 8.882 1.00 . A A . 10 LYS CG 1 1 19 22145 1 1 10 LYS H H 8.202 -9.049 9.540 1.00 . A A . 10 LYS H 1 1 19 22146 1 1 10 LYS HA H 6.899 -11.562 9.864 1.00 . A A . 10 LYS HA 1 1 19 22147 1 1 10 LYS HB2 H 5.751 -9.575 10.420 1.00 . A A . 10 LYS HB2 1 1 19 22148 1 1 10 LYS HB3 H 6.004 -8.876 8.823 1.00 . A A . 10 LYS HB3 1 1 19 22149 1 1 10 LYS HD2 H 2.855 -11.686 9.092 1.00 . A A . 10 LYS HD2 1 1 19 22150 1 1 10 LYS HD3 H 4.483 -12.364 9.046 1.00 . A A . 10 LYS HD3 1 1 19 22151 1 1 10 LYS HE2 H 4.927 -11.437 11.341 1.00 . A A . 10 LYS HE2 1 1 19 22152 1 1 10 LYS HE3 H 3.271 -10.808 11.378 1.00 . A A . 10 LYS HE3 1 1 19 22153 1 1 10 LYS HG2 H 3.696 -9.410 9.146 1.00 . A A . 10 LYS HG2 1 1 19 22154 1 1 10 LYS HG3 H 4.395 -10.276 7.792 1.00 . A A . 10 LYS HG3 1 1 19 22155 1 1 10 LYS HZ1 H 4.069 -13.638 11.158 1.00 . A A . 10 LYS HZ1 1 1 19 22156 1 1 10 LYS HZ2 H 3.489 -12.907 12.509 1.00 . A A . 10 LYS HZ2 1 1 19 22157 1 1 10 LYS HZ3 H 2.512 -13.099 11.197 1.00 . A A . 10 LYS HZ3 1 1 19 22158 1 1 10 LYS N N 8.208 -10.047 9.294 1.00 . A A . 10 LYS N 1 1 19 22159 1 1 10 LYS NZ N 3.459 -12.908 11.498 1.00 . A A . 10 LYS NZ 1 1 19 22160 1 1 10 LYS O O 6.416 -12.567 7.602 1.00 . A A . 10 LYS O 1 1 19 22161 1 1 11 GLY C C 7.101 -9.780 4.480 1.00 . A A . 11 GLY C 1 1 19 22162 1 1 11 GLY CA C 7.137 -11.062 5.302 1.00 . A A . 11 GLY CA 1 1 19 22163 1 1 11 GLY H H 7.637 -9.775 6.899 1.00 . A A . 11 GLY H 1 1 19 22164 1 1 11 GLY HA2 H 7.966 -11.703 5.001 1.00 . A A . 11 GLY HA2 1 1 19 22165 1 1 11 GLY HA3 H 6.199 -11.593 5.148 1.00 . A A . 11 GLY HA3 1 1 19 22166 1 1 11 GLY N N 7.281 -10.701 6.697 1.00 . A A . 11 GLY N 1 1 19 22167 1 1 11 GLY O O 6.135 -9.021 4.584 1.00 . A A . 11 GLY O 1 1 19 22168 1 1 12 ASN C C 6.987 -8.116 2.099 1.00 . A A . 12 ASN C 1 1 19 22169 1 1 12 ASN CA C 8.338 -8.430 2.757 1.00 . A A . 12 ASN CA 1 1 19 22170 1 1 12 ASN CB C 9.306 -8.862 1.652 1.00 . A A . 12 ASN CB 1 1 19 22171 1 1 12 ASN CG C 10.729 -9.156 2.122 1.00 . A A . 12 ASN CG 1 1 19 22172 1 1 12 ASN H H 8.867 -10.265 3.686 1.00 . A A . 12 ASN H 1 1 19 22173 1 1 12 ASN HA H 8.820 -7.548 3.225 1.00 . A A . 12 ASN HA 1 1 19 22174 1 1 12 ASN HB2 H 8.896 -9.738 1.157 1.00 . A A . 12 ASN HB2 1 1 19 22175 1 1 12 ASN HB3 H 9.369 -8.060 0.916 1.00 . A A . 12 ASN HB3 1 1 19 22176 1 1 12 ASN HD21 H 10.291 -8.953 4.138 1.00 . A A . 12 ASN HD21 1 1 19 22177 1 1 12 ASN HD22 H 11.974 -9.137 3.736 1.00 . A A . 12 ASN HD22 1 1 19 22178 1 1 12 ASN N N 8.159 -9.546 3.696 1.00 . A A . 12 ASN N 1 1 19 22179 1 1 12 ASN ND2 N 10.993 -9.114 3.429 1.00 . A A . 12 ASN ND2 1 1 19 22180 1 1 12 ASN O O 6.371 -9.004 1.502 1.00 . A A . 12 ASN O 1 1 19 22181 1 1 12 ASN OD1 O 11.597 -9.413 1.295 1.00 . A A . 12 ASN OD1 1 1 19 22182 1 1 13 VAL C C 5.545 -5.814 0.271 1.00 . A A . 13 VAL C 1 1 19 22183 1 1 13 VAL CA C 5.248 -6.462 1.613 1.00 . A A . 13 VAL CA 1 1 19 22184 1 1 13 VAL CB C 4.475 -5.487 2.509 1.00 . A A . 13 VAL CB 1 1 19 22185 1 1 13 VAL CG1 C 3.280 -4.921 1.729 1.00 . A A . 13 VAL CG1 1 1 19 22186 1 1 13 VAL CG2 C 3.961 -6.175 3.763 1.00 . A A . 13 VAL CG2 1 1 19 22187 1 1 13 VAL H H 7.084 -6.197 2.694 1.00 . A A . 13 VAL H 1 1 19 22188 1 1 13 VAL HA H 4.612 -7.328 1.458 1.00 . A A . 13 VAL HA 1 1 19 22189 1 1 13 VAL HB H 5.136 -4.692 2.840 1.00 . A A . 13 VAL HB 1 1 19 22190 1 1 13 VAL HG11 H 2.850 -5.714 1.123 1.00 . A A . 13 VAL HG11 1 1 19 22191 1 1 13 VAL HG12 H 2.520 -4.548 2.411 1.00 . A A . 13 VAL HG12 1 1 19 22192 1 1 13 VAL HG13 H 3.591 -4.115 1.065 1.00 . A A . 13 VAL HG13 1 1 19 22193 1 1 13 VAL HG21 H 3.613 -5.426 4.469 1.00 . A A . 13 VAL HG21 1 1 19 22194 1 1 13 VAL HG22 H 3.147 -6.853 3.522 1.00 . A A . 13 VAL HG22 1 1 19 22195 1 1 13 VAL HG23 H 4.780 -6.717 4.218 1.00 . A A . 13 VAL HG23 1 1 19 22196 1 1 13 VAL N N 6.503 -6.883 2.223 1.00 . A A . 13 VAL N 1 1 19 22197 1 1 13 VAL O O 6.184 -4.763 0.235 1.00 . A A . 13 VAL O 1 1 19 22198 1 1 14 THR C C 3.985 -4.861 -2.346 1.00 . A A . 14 THR C 1 1 19 22199 1 1 14 THR CA C 5.175 -5.800 -2.141 1.00 . A A . 14 THR CA 1 1 19 22200 1 1 14 THR CB C 5.241 -6.902 -3.207 1.00 . A A . 14 THR CB 1 1 19 22201 1 1 14 THR CG2 C 5.443 -6.333 -4.615 1.00 . A A . 14 THR CG2 1 1 19 22202 1 1 14 THR H H 4.463 -7.212 -0.707 1.00 . A A . 14 THR H 1 1 19 22203 1 1 14 THR HA H 6.095 -5.221 -2.210 1.00 . A A . 14 THR HA 1 1 19 22204 1 1 14 THR HB H 4.320 -7.488 -3.185 1.00 . A A . 14 THR HB 1 1 19 22205 1 1 14 THR HG1 H 6.323 -7.969 -1.983 1.00 . A A . 14 THR HG1 1 1 19 22206 1 1 14 THR HG21 H 6.340 -5.711 -4.642 1.00 . A A . 14 THR HG21 1 1 19 22207 1 1 14 THR HG22 H 5.564 -7.155 -5.321 1.00 . A A . 14 THR HG22 1 1 19 22208 1 1 14 THR HG23 H 4.582 -5.738 -4.919 1.00 . A A . 14 THR HG23 1 1 19 22209 1 1 14 THR N N 5.072 -6.409 -0.822 1.00 . A A . 14 THR N 1 1 19 22210 1 1 14 THR O O 2.868 -5.186 -1.943 1.00 . A A . 14 THR O 1 1 19 22211 1 1 14 THR OG1 O 6.339 -7.743 -2.917 1.00 . A A . 14 THR OG1 1 1 19 22212 1 1 15 PHE C C 3.457 -2.397 -4.834 1.00 . A A . 15 PHE C 1 1 19 22213 1 1 15 PHE CA C 3.155 -2.801 -3.398 1.00 . A A . 15 PHE CA 1 1 19 22214 1 1 15 PHE CB C 3.036 -1.588 -2.464 1.00 . A A . 15 PHE CB 1 1 19 22215 1 1 15 PHE CD1 C 5.332 -1.257 -1.473 1.00 . A A . 15 PHE CD1 1 1 19 22216 1 1 15 PHE CD2 C 4.347 0.570 -2.743 1.00 . A A . 15 PHE CD2 1 1 19 22217 1 1 15 PHE CE1 C 6.370 -0.411 -1.062 1.00 . A A . 15 PHE CE1 1 1 19 22218 1 1 15 PHE CE2 C 5.397 1.414 -2.342 1.00 . A A . 15 PHE CE2 1 1 19 22219 1 1 15 PHE CG C 4.288 -0.755 -2.268 1.00 . A A . 15 PHE CG 1 1 19 22220 1 1 15 PHE CZ C 6.369 0.938 -1.444 1.00 . A A . 15 PHE CZ 1 1 19 22221 1 1 15 PHE H H 5.158 -3.453 -3.262 1.00 . A A . 15 PHE H 1 1 19 22222 1 1 15 PHE HA H 2.193 -3.317 -3.384 1.00 . A A . 15 PHE HA 1 1 19 22223 1 1 15 PHE HB2 H 2.232 -0.950 -2.833 1.00 . A A . 15 PHE HB2 1 1 19 22224 1 1 15 PHE HB3 H 2.740 -1.949 -1.482 1.00 . A A . 15 PHE HB3 1 1 19 22225 1 1 15 PHE HD1 H 5.293 -2.262 -1.081 1.00 . A A . 15 PHE HD1 1 1 19 22226 1 1 15 PHE HD2 H 3.585 0.951 -3.408 1.00 . A A . 15 PHE HD2 1 1 19 22227 1 1 15 PHE HE1 H 7.090 -0.767 -0.340 1.00 . A A . 15 PHE HE1 1 1 19 22228 1 1 15 PHE HE2 H 5.449 2.431 -2.708 1.00 . A A . 15 PHE HE2 1 1 19 22229 1 1 15 PHE HZ H 7.150 1.581 -1.073 1.00 . A A . 15 PHE HZ 1 1 19 22230 1 1 15 PHE N N 4.215 -3.702 -2.970 1.00 . A A . 15 PHE N 1 1 19 22231 1 1 15 PHE O O 4.538 -1.876 -5.114 1.00 . A A . 15 PHE O 1 1 19 22232 1 1 16 ASP C C 2.570 -0.855 -7.378 1.00 . A A . 16 ASP C 1 1 19 22233 1 1 16 ASP CA C 2.745 -2.356 -7.161 1.00 . A A . 16 ASP CA 1 1 19 22234 1 1 16 ASP CB C 1.869 -3.205 -8.079 1.00 . A A . 16 ASP CB 1 1 19 22235 1 1 16 ASP CG C 2.385 -3.114 -9.515 1.00 . A A . 16 ASP CG 1 1 19 22236 1 1 16 ASP H H 1.656 -3.097 -5.488 1.00 . A A . 16 ASP H 1 1 19 22237 1 1 16 ASP HA H 3.773 -2.627 -7.404 1.00 . A A . 16 ASP HA 1 1 19 22238 1 1 16 ASP HB2 H 1.925 -4.248 -7.765 1.00 . A A . 16 ASP HB2 1 1 19 22239 1 1 16 ASP HB3 H 0.828 -2.887 -8.035 1.00 . A A . 16 ASP HB3 1 1 19 22240 1 1 16 ASP N N 2.527 -2.667 -5.757 1.00 . A A . 16 ASP N 1 1 19 22241 1 1 16 ASP O O 1.523 -0.378 -7.815 1.00 . A A . 16 ASP O 1 1 19 22242 1 1 16 ASP OD1 O 2.922 -2.041 -9.885 1.00 . A A . 16 ASP OD1 1 1 19 22243 1 1 16 ASP OD2 O 2.226 -4.128 -10.225 1.00 . A A . 16 ASP OD2 1 1 19 22244 1 1 17 HIS C C 3.262 1.910 -8.296 1.00 . A A . 17 HIS C 1 1 19 22245 1 1 17 HIS CA C 3.713 1.319 -6.956 1.00 . A A . 17 HIS CA 1 1 19 22246 1 1 17 HIS CB C 5.188 1.613 -6.656 1.00 . A A . 17 HIS CB 1 1 19 22247 1 1 17 HIS CD2 C 4.738 4.065 -5.989 1.00 . A A . 17 HIS CD2 1 1 19 22248 1 1 17 HIS CE1 C 6.748 4.587 -5.272 1.00 . A A . 17 HIS CE1 1 1 19 22249 1 1 17 HIS CG C 5.554 2.979 -6.152 1.00 . A A . 17 HIS CG 1 1 19 22250 1 1 17 HIS H H 4.344 -0.654 -6.525 1.00 . A A . 17 HIS H 1 1 19 22251 1 1 17 HIS HA H 3.083 1.695 -6.150 1.00 . A A . 17 HIS HA 1 1 19 22252 1 1 17 HIS HB2 H 5.544 0.918 -5.896 1.00 . A A . 17 HIS HB2 1 1 19 22253 1 1 17 HIS HB3 H 5.759 1.427 -7.558 1.00 . A A . 17 HIS HB3 1 1 19 22254 1 1 17 HIS HD1 H 7.636 2.733 -5.811 1.00 . A A . 17 HIS HD1 1 1 19 22255 1 1 17 HIS HD2 H 3.688 4.103 -6.225 1.00 . A A . 17 HIS HD2 1 1 19 22256 1 1 17 HIS HE1 H 7.587 5.119 -4.848 1.00 . A A . 17 HIS HE1 1 1 19 22257 1 1 17 HIS N N 3.604 -0.125 -6.975 1.00 . A A . 17 HIS N 1 1 19 22258 1 1 17 HIS ND1 N 6.813 3.326 -5.730 1.00 . A A . 17 HIS ND1 1 1 19 22259 1 1 17 HIS NE2 N 5.514 5.102 -5.451 1.00 . A A . 17 HIS NE2 1 1 19 22260 1 1 17 HIS O O 2.310 2.686 -8.355 1.00 . A A . 17 HIS O 1 1 19 22261 1 1 18 LYS C C 2.268 1.651 -11.146 1.00 . A A . 18 LYS C 1 1 19 22262 1 1 18 LYS CA C 3.679 2.017 -10.711 1.00 . A A . 18 LYS CA 1 1 19 22263 1 1 18 LYS CB C 4.739 1.504 -11.689 1.00 . A A . 18 LYS CB 1 1 19 22264 1 1 18 LYS CD C 5.494 1.502 -14.075 1.00 . A A . 18 LYS CD 1 1 19 22265 1 1 18 LYS CE C 5.033 1.724 -15.522 1.00 . A A . 18 LYS CE 1 1 19 22266 1 1 18 LYS CG C 4.310 1.731 -13.135 1.00 . A A . 18 LYS CG 1 1 19 22267 1 1 18 LYS H H 4.689 0.860 -9.254 1.00 . A A . 18 LYS H 1 1 19 22268 1 1 18 LYS HA H 3.751 3.106 -10.687 1.00 . A A . 18 LYS HA 1 1 19 22269 1 1 18 LYS HB2 H 5.639 2.090 -11.533 1.00 . A A . 18 LYS HB2 1 1 19 22270 1 1 18 LYS HB3 H 4.944 0.445 -11.525 1.00 . A A . 18 LYS HB3 1 1 19 22271 1 1 18 LYS HD2 H 6.294 2.197 -13.811 1.00 . A A . 18 LYS HD2 1 1 19 22272 1 1 18 LYS HD3 H 5.833 0.475 -13.925 1.00 . A A . 18 LYS HD3 1 1 19 22273 1 1 18 LYS HE2 H 4.246 1.005 -15.760 1.00 . A A . 18 LYS HE2 1 1 19 22274 1 1 18 LYS HE3 H 4.615 2.728 -15.620 1.00 . A A . 18 LYS HE3 1 1 19 22275 1 1 18 LYS HG2 H 3.503 1.050 -13.405 1.00 . A A . 18 LYS HG2 1 1 19 22276 1 1 18 LYS HG3 H 3.946 2.753 -13.212 1.00 . A A . 18 LYS HG3 1 1 19 22277 1 1 18 LYS HZ1 H 5.778 1.712 -17.422 1.00 . A A . 18 LYS HZ1 1 1 19 22278 1 1 18 LYS HZ2 H 6.870 2.223 -16.299 1.00 . A A . 18 LYS HZ2 1 1 19 22279 1 1 18 LYS HZ3 H 6.504 0.619 -16.430 1.00 . A A . 18 LYS HZ3 1 1 19 22280 1 1 18 LYS N N 3.944 1.523 -9.375 1.00 . A A . 18 LYS N 1 1 19 22281 1 1 18 LYS NZ N 6.134 1.557 -16.489 1.00 . A A . 18 LYS NZ 1 1 19 22282 1 1 18 LYS O O 1.527 2.534 -11.563 1.00 . A A . 18 LYS O 1 1 19 22283 1 1 19 ALA C C -0.505 0.872 -10.697 1.00 . A A . 19 ALA C 1 1 19 22284 1 1 19 ALA CA C 0.515 -0.007 -11.411 1.00 . A A . 19 ALA CA 1 1 19 22285 1 1 19 ALA CB C 0.236 -1.437 -11.004 1.00 . A A . 19 ALA CB 1 1 19 22286 1 1 19 ALA H H 2.542 -0.339 -10.769 1.00 . A A . 19 ALA H 1 1 19 22287 1 1 19 ALA HA H 0.382 0.068 -12.489 1.00 . A A . 19 ALA HA 1 1 19 22288 1 1 19 ALA HB1 H -0.790 -1.691 -11.261 1.00 . A A . 19 ALA HB1 1 1 19 22289 1 1 19 ALA HB2 H 0.921 -2.106 -11.520 1.00 . A A . 19 ALA HB2 1 1 19 22290 1 1 19 ALA HB3 H 0.355 -1.482 -9.924 1.00 . A A . 19 ALA HB3 1 1 19 22291 1 1 19 ALA N N 1.881 0.377 -11.068 1.00 . A A . 19 ALA N 1 1 19 22292 1 1 19 ALA O O -1.368 1.461 -11.339 1.00 . A A . 19 ALA O 1 1 19 22293 1 1 20 HIS C C -1.214 3.250 -9.157 1.00 . A A . 20 HIS C 1 1 19 22294 1 1 20 HIS CA C -1.278 1.834 -8.586 1.00 . A A . 20 HIS CA 1 1 19 22295 1 1 20 HIS CB C -0.881 1.811 -7.102 1.00 . A A . 20 HIS CB 1 1 19 22296 1 1 20 HIS CD2 C -2.245 0.534 -5.320 1.00 . A A . 20 HIS CD2 1 1 19 22297 1 1 20 HIS CE1 C -1.492 -1.490 -5.649 1.00 . A A . 20 HIS CE1 1 1 19 22298 1 1 20 HIS CG C -1.340 0.582 -6.350 1.00 . A A . 20 HIS CG 1 1 19 22299 1 1 20 HIS H H 0.394 0.545 -8.910 1.00 . A A . 20 HIS H 1 1 19 22300 1 1 20 HIS HA H -2.305 1.477 -8.680 1.00 . A A . 20 HIS HA 1 1 19 22301 1 1 20 HIS HB2 H 0.201 1.905 -7.007 1.00 . A A . 20 HIS HB2 1 1 19 22302 1 1 20 HIS HB3 H -1.324 2.679 -6.623 1.00 . A A . 20 HIS HB3 1 1 19 22303 1 1 20 HIS HD1 H -0.148 -0.958 -7.202 1.00 . A A . 20 HIS HD1 1 1 19 22304 1 1 20 HIS HD2 H -2.781 1.375 -4.915 1.00 . A A . 20 HIS HD2 1 1 19 22305 1 1 20 HIS HE1 H -1.323 -2.551 -5.561 1.00 . A A . 20 HIS HE1 1 1 19 22306 1 1 20 HIS N N -0.400 0.977 -9.368 1.00 . A A . 20 HIS N 1 1 19 22307 1 1 20 HIS ND1 N -0.871 -0.695 -6.540 1.00 . A A . 20 HIS ND1 1 1 19 22308 1 1 20 HIS NE2 N -2.339 -0.791 -4.875 1.00 . A A . 20 HIS NE2 1 1 19 22309 1 1 20 HIS O O -2.227 3.933 -9.261 1.00 . A A . 20 HIS O 1 1 19 22310 1 1 21 ALA C C -0.669 5.179 -11.408 1.00 . A A . 21 ALA C 1 1 19 22311 1 1 21 ALA CA C 0.155 5.015 -10.128 1.00 . A A . 21 ALA CA 1 1 19 22312 1 1 21 ALA CB C 1.637 5.336 -10.349 1.00 . A A . 21 ALA CB 1 1 19 22313 1 1 21 ALA H H 0.752 3.018 -9.541 1.00 . A A . 21 ALA H 1 1 19 22314 1 1 21 ALA HA H -0.220 5.739 -9.404 1.00 . A A . 21 ALA HA 1 1 19 22315 1 1 21 ALA HB1 H 2.029 4.824 -11.224 1.00 . A A . 21 ALA HB1 1 1 19 22316 1 1 21 ALA HB2 H 1.739 6.407 -10.517 1.00 . A A . 21 ALA HB2 1 1 19 22317 1 1 21 ALA HB3 H 2.220 5.038 -9.477 1.00 . A A . 21 ALA HB3 1 1 19 22318 1 1 21 ALA N N -0.021 3.687 -9.557 1.00 . A A . 21 ALA N 1 1 19 22319 1 1 21 ALA O O -1.492 6.075 -11.499 1.00 . A A . 21 ALA O 1 1 19 22320 1 1 22 GLU C C -2.648 4.164 -13.604 1.00 . A A . 22 GLU C 1 1 19 22321 1 1 22 GLU CA C -1.149 4.469 -13.694 1.00 . A A . 22 GLU CA 1 1 19 22322 1 1 22 GLU CB C -0.408 3.694 -14.796 1.00 . A A . 22 GLU CB 1 1 19 22323 1 1 22 GLU CD C 0.842 1.619 -15.494 1.00 . A A . 22 GLU CD 1 1 19 22324 1 1 22 GLU CG C -0.200 2.197 -14.542 1.00 . A A . 22 GLU CG 1 1 19 22325 1 1 22 GLU H H 0.119 3.538 -12.216 1.00 . A A . 22 GLU H 1 1 19 22326 1 1 22 GLU HA H -1.074 5.520 -13.980 1.00 . A A . 22 GLU HA 1 1 19 22327 1 1 22 GLU HB2 H -0.947 3.807 -15.737 1.00 . A A . 22 GLU HB2 1 1 19 22328 1 1 22 GLU HB3 H 0.576 4.151 -14.911 1.00 . A A . 22 GLU HB3 1 1 19 22329 1 1 22 GLU HG2 H 0.169 2.036 -13.538 1.00 . A A . 22 GLU HG2 1 1 19 22330 1 1 22 GLU HG3 H -1.143 1.663 -14.660 1.00 . A A . 22 GLU HG3 1 1 19 22331 1 1 22 GLU N N -0.489 4.319 -12.401 1.00 . A A . 22 GLU N 1 1 19 22332 1 1 22 GLU O O -3.459 4.856 -14.215 1.00 . A A . 22 GLU O 1 1 19 22333 1 1 22 GLU OE1 O 2.021 2.020 -15.361 1.00 . A A . 22 GLU OE1 1 1 19 22334 1 1 22 GLU OE2 O 0.448 0.792 -16.341 1.00 . A A . 22 GLU OE2 1 1 19 22335 1 1 23 LYS C C -5.138 3.932 -11.825 1.00 . A A . 23 LYS C 1 1 19 22336 1 1 23 LYS CA C -4.411 2.803 -12.562 1.00 . A A . 23 LYS CA 1 1 19 22337 1 1 23 LYS CB C -4.459 1.499 -11.751 1.00 . A A . 23 LYS CB 1 1 19 22338 1 1 23 LYS CD C -4.842 -0.148 -13.633 1.00 . A A . 23 LYS CD 1 1 19 22339 1 1 23 LYS CE C -4.514 -1.534 -14.209 1.00 . A A . 23 LYS CE 1 1 19 22340 1 1 23 LYS CG C -3.893 0.287 -12.513 1.00 . A A . 23 LYS CG 1 1 19 22341 1 1 23 LYS H H -2.315 2.581 -12.382 1.00 . A A . 23 LYS H 1 1 19 22342 1 1 23 LYS HA H -4.923 2.653 -13.513 1.00 . A A . 23 LYS HA 1 1 19 22343 1 1 23 LYS HB2 H -3.885 1.636 -10.834 1.00 . A A . 23 LYS HB2 1 1 19 22344 1 1 23 LYS HB3 H -5.490 1.291 -11.462 1.00 . A A . 23 LYS HB3 1 1 19 22345 1 1 23 LYS HD2 H -5.860 -0.136 -13.248 1.00 . A A . 23 LYS HD2 1 1 19 22346 1 1 23 LYS HD3 H -4.772 0.583 -14.441 1.00 . A A . 23 LYS HD3 1 1 19 22347 1 1 23 LYS HE2 H -5.164 -1.703 -15.069 1.00 . A A . 23 LYS HE2 1 1 19 22348 1 1 23 LYS HE3 H -3.478 -1.556 -14.552 1.00 . A A . 23 LYS HE3 1 1 19 22349 1 1 23 LYS HG2 H -2.918 0.515 -12.948 1.00 . A A . 23 LYS HG2 1 1 19 22350 1 1 23 LYS HG3 H -3.764 -0.515 -11.785 1.00 . A A . 23 LYS HG3 1 1 19 22351 1 1 23 LYS HZ1 H -4.700 -3.543 -13.662 1.00 . A A . 23 LYS HZ1 1 1 19 22352 1 1 23 LYS HZ2 H -4.074 -2.623 -12.462 1.00 . A A . 23 LYS HZ2 1 1 19 22353 1 1 23 LYS HZ3 H -5.615 -2.542 -12.719 1.00 . A A . 23 LYS HZ3 1 1 19 22354 1 1 23 LYS N N -3.027 3.147 -12.826 1.00 . A A . 23 LYS N 1 1 19 22355 1 1 23 LYS NZ N -4.738 -2.629 -13.242 1.00 . A A . 23 LYS NZ 1 1 19 22356 1 1 23 LYS O O -6.237 4.313 -12.224 1.00 . A A . 23 LYS O 1 1 19 22357 1 1 24 LEU C C -4.933 6.815 -10.193 1.00 . A A . 24 LEU C 1 1 19 22358 1 1 24 LEU CA C -5.247 5.363 -9.830 1.00 . A A . 24 LEU CA 1 1 19 22359 1 1 24 LEU CB C -4.878 5.083 -8.367 1.00 . A A . 24 LEU CB 1 1 19 22360 1 1 24 LEU CD1 C -4.429 3.429 -6.556 1.00 . A A . 24 LEU CD1 1 1 19 22361 1 1 24 LEU CD2 C -6.526 3.204 -7.945 1.00 . A A . 24 LEU CD2 1 1 19 22362 1 1 24 LEU CG C -5.049 3.613 -7.944 1.00 . A A . 24 LEU CG 1 1 19 22363 1 1 24 LEU H H -3.650 4.094 -10.440 1.00 . A A . 24 LEU H 1 1 19 22364 1 1 24 LEU HA H -6.326 5.231 -9.920 1.00 . A A . 24 LEU HA 1 1 19 22365 1 1 24 LEU HB2 H -3.850 5.396 -8.190 1.00 . A A . 24 LEU HB2 1 1 19 22366 1 1 24 LEU HB3 H -5.517 5.703 -7.739 1.00 . A A . 24 LEU HB3 1 1 19 22367 1 1 24 LEU HD11 H -3.352 3.561 -6.626 1.00 . A A . 24 LEU HD11 1 1 19 22368 1 1 24 LEU HD12 H -4.810 4.179 -5.872 1.00 . A A . 24 LEU HD12 1 1 19 22369 1 1 24 LEU HD13 H -4.646 2.434 -6.170 1.00 . A A . 24 LEU HD13 1 1 19 22370 1 1 24 LEU HD21 H -7.126 3.939 -7.409 1.00 . A A . 24 LEU HD21 1 1 19 22371 1 1 24 LEU HD22 H -6.888 3.130 -8.971 1.00 . A A . 24 LEU HD22 1 1 19 22372 1 1 24 LEU HD23 H -6.639 2.232 -7.466 1.00 . A A . 24 LEU HD23 1 1 19 22373 1 1 24 LEU HG H -4.518 2.945 -8.621 1.00 . A A . 24 LEU HG 1 1 19 22374 1 1 24 LEU N N -4.565 4.431 -10.723 1.00 . A A . 24 LEU N 1 1 19 22375 1 1 24 LEU O O -5.836 7.646 -10.228 1.00 . A A . 24 LEU O 1 1 19 22376 1 1 25 GLY C C -1.848 8.750 -10.213 1.00 . A A . 25 GLY C 1 1 19 22377 1 1 25 GLY CA C -3.193 8.441 -10.861 1.00 . A A . 25 GLY CA 1 1 19 22378 1 1 25 GLY H H -2.942 6.404 -10.452 1.00 . A A . 25 GLY H 1 1 19 22379 1 1 25 GLY HA2 H -3.060 8.424 -11.939 1.00 . A A . 25 GLY HA2 1 1 19 22380 1 1 25 GLY HA3 H -3.903 9.227 -10.602 1.00 . A A . 25 GLY HA3 1 1 19 22381 1 1 25 GLY N N -3.655 7.132 -10.429 1.00 . A A . 25 GLY N 1 1 19 22382 1 1 25 GLY O O -0.801 8.685 -10.853 1.00 . A A . 25 GLY O 1 1 19 22383 1 1 26 CYS C C -1.454 10.060 -6.778 1.00 . A A . 26 CYS C 1 1 19 22384 1 1 26 CYS CA C -0.813 9.546 -8.066 1.00 . A A . 26 CYS CA 1 1 19 22385 1 1 26 CYS CB C -0.002 10.664 -8.707 1.00 . A A . 26 CYS CB 1 1 19 22386 1 1 26 CYS H H -2.831 9.060 -8.522 1.00 . A A . 26 CYS H 1 1 19 22387 1 1 26 CYS HA H -0.176 8.698 -7.829 1.00 . A A . 26 CYS HA 1 1 19 22388 1 1 26 CYS HB2 H -0.063 10.682 -9.791 1.00 . A A . 26 CYS HB2 1 1 19 22389 1 1 26 CYS HB3 H -0.361 11.635 -8.363 1.00 . A A . 26 CYS HB3 1 1 19 22390 1 1 26 CYS N N -1.906 9.083 -8.924 1.00 . A A . 26 CYS N 1 1 19 22391 1 1 26 CYS O O -1.060 9.716 -5.662 1.00 . A A . 26 CYS O 1 1 19 22392 1 1 26 CYS SG S 1.748 10.526 -8.252 1.00 . A A . 26 CYS SG 1 1 19 22393 1 1 27 ASP C C -3.711 10.773 -4.894 1.00 . A A . 27 ASP C 1 1 19 22394 1 1 27 ASP CA C -3.269 11.656 -6.049 1.00 . A A . 27 ASP CA 1 1 19 22395 1 1 27 ASP CB C -4.509 12.226 -6.767 1.00 . A A . 27 ASP CB 1 1 19 22396 1 1 27 ASP CG C -4.228 12.760 -8.169 1.00 . A A . 27 ASP CG 1 1 19 22397 1 1 27 ASP H H -2.812 10.959 -7.961 1.00 . A A . 27 ASP H 1 1 19 22398 1 1 27 ASP HA H -2.647 12.473 -5.683 1.00 . A A . 27 ASP HA 1 1 19 22399 1 1 27 ASP HB2 H -5.264 11.447 -6.876 1.00 . A A . 27 ASP HB2 1 1 19 22400 1 1 27 ASP HB3 H -4.932 13.024 -6.156 1.00 . A A . 27 ASP HB3 1 1 19 22401 1 1 27 ASP N N -2.501 10.860 -6.994 1.00 . A A . 27 ASP N 1 1 19 22402 1 1 27 ASP O O -3.708 11.175 -3.737 1.00 . A A . 27 ASP O 1 1 19 22403 1 1 27 ASP OD1 O -3.817 11.918 -9.005 1.00 . A A . 27 ASP OD1 1 1 19 22404 1 1 27 ASP OD2 O -4.423 13.975 -8.379 1.00 . A A . 27 ASP OD2 1 1 19 22405 1 1 28 ALA C C -3.573 8.373 -3.128 1.00 . A A . 28 ALA C 1 1 19 22406 1 1 28 ALA CA C -4.446 8.454 -4.381 1.00 . A A . 28 ALA CA 1 1 19 22407 1 1 28 ALA CB C -4.341 7.155 -5.179 1.00 . A A . 28 ALA CB 1 1 19 22408 1 1 28 ALA H H -3.991 9.342 -6.245 1.00 . A A . 28 ALA H 1 1 19 22409 1 1 28 ALA HA H -5.482 8.616 -4.092 1.00 . A A . 28 ALA HA 1 1 19 22410 1 1 28 ALA HB1 H -4.568 6.308 -4.532 1.00 . A A . 28 ALA HB1 1 1 19 22411 1 1 28 ALA HB2 H -5.049 7.187 -6.007 1.00 . A A . 28 ALA HB2 1 1 19 22412 1 1 28 ALA HB3 H -3.331 7.046 -5.577 1.00 . A A . 28 ALA HB3 1 1 19 22413 1 1 28 ALA N N -4.065 9.540 -5.260 1.00 . A A . 28 ALA N 1 1 19 22414 1 1 28 ALA O O -4.073 8.037 -2.056 1.00 . A A . 28 ALA O 1 1 19 22415 1 1 29 CYS C C -0.545 9.823 -2.036 1.00 . A A . 29 CYS C 1 1 19 22416 1 1 29 CYS CA C -1.292 8.501 -2.213 1.00 . A A . 29 CYS CA 1 1 19 22417 1 1 29 CYS CB C -0.357 7.361 -2.538 1.00 . A A . 29 CYS CB 1 1 19 22418 1 1 29 CYS H H -1.945 8.914 -4.202 1.00 . A A . 29 CYS H 1 1 19 22419 1 1 29 CYS HA H -1.784 8.273 -1.266 1.00 . A A . 29 CYS HA 1 1 19 22420 1 1 29 CYS HB2 H 0.260 7.644 -3.390 1.00 . A A . 29 CYS HB2 1 1 19 22421 1 1 29 CYS HB3 H 0.289 7.159 -1.682 1.00 . A A . 29 CYS HB3 1 1 19 22422 1 1 29 CYS N N -2.272 8.629 -3.283 1.00 . A A . 29 CYS N 1 1 19 22423 1 1 29 CYS O O -0.394 10.326 -0.924 1.00 . A A . 29 CYS O 1 1 19 22424 1 1 29 CYS SG S -1.314 5.864 -2.957 1.00 . A A . 29 CYS SG 1 1 19 22425 1 1 30 HIS C C 0.035 12.846 -3.135 1.00 . A A . 30 HIS C 1 1 19 22426 1 1 30 HIS CA C 0.832 11.551 -3.073 1.00 . A A . 30 HIS CA 1 1 19 22427 1 1 30 HIS CB C 1.880 11.455 -4.183 1.00 . A A . 30 HIS CB 1 1 19 22428 1 1 30 HIS CD2 C 3.064 9.248 -4.696 1.00 . A A . 30 HIS CD2 1 1 19 22429 1 1 30 HIS CE1 C 4.481 9.167 -3.038 1.00 . A A . 30 HIS CE1 1 1 19 22430 1 1 30 HIS CG C 2.866 10.353 -3.930 1.00 . A A . 30 HIS CG 1 1 19 22431 1 1 30 HIS H H -0.305 10.028 -4.044 1.00 . A A . 30 HIS H 1 1 19 22432 1 1 30 HIS HA H 1.367 11.567 -2.122 1.00 . A A . 30 HIS HA 1 1 19 22433 1 1 30 HIS HB2 H 1.378 11.310 -5.142 1.00 . A A . 30 HIS HB2 1 1 19 22434 1 1 30 HIS HB3 H 2.425 12.396 -4.242 1.00 . A A . 30 HIS HB3 1 1 19 22435 1 1 30 HIS HD1 H 3.821 10.966 -2.138 1.00 . A A . 30 HIS HD1 1 1 19 22436 1 1 30 HIS HD2 H 2.519 8.994 -5.582 1.00 . A A . 30 HIS HD2 1 1 19 22437 1 1 30 HIS HE1 H 5.283 8.823 -2.405 1.00 . A A . 30 HIS HE1 1 1 19 22438 1 1 30 HIS N N -0.051 10.399 -3.133 1.00 . A A . 30 HIS N 1 1 19 22439 1 1 30 HIS ND1 N 3.747 10.288 -2.881 1.00 . A A . 30 HIS ND1 1 1 19 22440 1 1 30 HIS NE2 N 4.101 8.503 -4.135 1.00 . A A . 30 HIS NE2 1 1 19 22441 1 1 30 HIS O O 0.188 13.619 -4.079 1.00 . A A . 30 HIS O 1 1 19 22442 1 1 31 GLU C C -0.578 15.520 -1.856 1.00 . A A . 31 GLU C 1 1 19 22443 1 1 31 GLU CA C -1.531 14.339 -1.997 1.00 . A A . 31 GLU CA 1 1 19 22444 1 1 31 GLU CB C -2.472 14.312 -0.780 1.00 . A A . 31 GLU CB 1 1 19 22445 1 1 31 GLU CD C -4.445 13.184 0.248 1.00 . A A . 31 GLU CD 1 1 19 22446 1 1 31 GLU CG C -3.241 13.003 -0.666 1.00 . A A . 31 GLU CG 1 1 19 22447 1 1 31 GLU H H -0.856 12.382 -1.389 1.00 . A A . 31 GLU H 1 1 19 22448 1 1 31 GLU HA H -2.129 14.459 -2.903 1.00 . A A . 31 GLU HA 1 1 19 22449 1 1 31 GLU HB2 H -1.960 14.458 0.169 1.00 . A A . 31 GLU HB2 1 1 19 22450 1 1 31 GLU HB3 H -3.189 15.125 -0.903 1.00 . A A . 31 GLU HB3 1 1 19 22451 1 1 31 GLU HG2 H -3.558 12.733 -1.664 1.00 . A A . 31 GLU HG2 1 1 19 22452 1 1 31 GLU HG3 H -2.611 12.208 -0.267 1.00 . A A . 31 GLU HG3 1 1 19 22453 1 1 31 GLU N N -0.769 13.100 -2.102 1.00 . A A . 31 GLU N 1 1 19 22454 1 1 31 GLU O O -0.550 16.446 -2.663 1.00 . A A . 31 GLU O 1 1 19 22455 1 1 31 GLU OE1 O -5.515 13.552 -0.282 1.00 . A A . 31 GLU OE1 1 1 19 22456 1 1 31 GLU OE2 O -4.252 13.012 1.470 1.00 . A A . 31 GLU OE2 1 1 19 22457 1 1 32 GLY C C 2.229 16.749 -1.201 1.00 . A A . 32 GLY C 1 1 19 22458 1 1 32 GLY CA C 1.008 16.574 -0.304 1.00 . A A . 32 GLY CA 1 1 19 22459 1 1 32 GLY H H 0.016 14.662 -0.179 1.00 . A A . 32 GLY H 1 1 19 22460 1 1 32 GLY HA2 H 0.426 17.496 -0.304 1.00 . A A . 32 GLY HA2 1 1 19 22461 1 1 32 GLY HA3 H 1.337 16.373 0.717 1.00 . A A . 32 GLY HA3 1 1 19 22462 1 1 32 GLY N N 0.176 15.474 -0.760 1.00 . A A . 32 GLY N 1 1 19 22463 1 1 32 GLY O O 2.387 17.771 -1.862 1.00 . A A . 32 GLY O 1 1 19 22464 1 1 33 THR C C 4.963 14.360 -1.848 1.00 . A A . 33 THR C 1 1 19 22465 1 1 33 THR CA C 4.363 15.766 -1.946 1.00 . A A . 33 THR CA 1 1 19 22466 1 1 33 THR CB C 5.316 16.849 -1.399 1.00 . A A . 33 THR CB 1 1 19 22467 1 1 33 THR CG2 C 5.621 16.692 0.096 1.00 . A A . 33 THR CG2 1 1 19 22468 1 1 33 THR H H 2.960 14.948 -0.604 1.00 . A A . 33 THR H 1 1 19 22469 1 1 33 THR HA H 4.115 16.004 -2.981 1.00 . A A . 33 THR HA 1 1 19 22470 1 1 33 THR HB H 4.868 17.834 -1.541 1.00 . A A . 33 THR HB 1 1 19 22471 1 1 33 THR HG1 H 6.429 17.325 -2.924 1.00 . A A . 33 THR HG1 1 1 19 22472 1 1 33 THR HG21 H 6.117 15.742 0.291 1.00 . A A . 33 THR HG21 1 1 19 22473 1 1 33 THR HG22 H 6.283 17.499 0.413 1.00 . A A . 33 THR HG22 1 1 19 22474 1 1 33 THR HG23 H 4.704 16.747 0.683 1.00 . A A . 33 THR HG23 1 1 19 22475 1 1 33 THR N N 3.122 15.757 -1.188 1.00 . A A . 33 THR N 1 1 19 22476 1 1 33 THR O O 4.837 13.729 -0.797 1.00 . A A . 33 THR O 1 1 19 22477 1 1 33 THR OG1 O 6.539 16.836 -2.104 1.00 . A A . 33 THR OG1 1 1 19 22478 1 1 34 PRO C C 7.570 12.530 -2.178 1.00 . A A . 34 PRO C 1 1 19 22479 1 1 34 PRO CA C 6.212 12.505 -2.875 1.00 . A A . 34 PRO CA 1 1 19 22480 1 1 34 PRO CB C 6.294 12.078 -4.337 1.00 . A A . 34 PRO CB 1 1 19 22481 1 1 34 PRO CD C 5.686 14.393 -4.235 1.00 . A A . 34 PRO CD 1 1 19 22482 1 1 34 PRO CG C 6.546 13.412 -5.027 1.00 . A A . 34 PRO CG 1 1 19 22483 1 1 34 PRO HA H 5.618 11.787 -2.331 1.00 . A A . 34 PRO HA 1 1 19 22484 1 1 34 PRO HB2 H 7.079 11.350 -4.515 1.00 . A A . 34 PRO HB2 1 1 19 22485 1 1 34 PRO HB3 H 5.335 11.679 -4.665 1.00 . A A . 34 PRO HB3 1 1 19 22486 1 1 34 PRO HD2 H 6.145 15.381 -4.237 1.00 . A A . 34 PRO HD2 1 1 19 22487 1 1 34 PRO HD3 H 4.690 14.439 -4.678 1.00 . A A . 34 PRO HD3 1 1 19 22488 1 1 34 PRO HG2 H 7.598 13.670 -4.916 1.00 . A A . 34 PRO HG2 1 1 19 22489 1 1 34 PRO HG3 H 6.260 13.375 -6.071 1.00 . A A . 34 PRO HG3 1 1 19 22490 1 1 34 PRO N N 5.597 13.825 -2.902 1.00 . A A . 34 PRO N 1 1 19 22491 1 1 34 PRO O O 8.551 11.975 -2.672 1.00 . A A . 34 PRO O 1 1 19 22492 1 1 35 ALA C C 8.781 11.685 0.604 1.00 . A A . 35 ALA C 1 1 19 22493 1 1 35 ALA CA C 8.790 13.035 -0.116 1.00 . A A . 35 ALA CA 1 1 19 22494 1 1 35 ALA CB C 8.745 14.229 0.838 1.00 . A A . 35 ALA CB 1 1 19 22495 1 1 35 ALA H H 6.746 13.415 -0.563 1.00 . A A . 35 ALA H 1 1 19 22496 1 1 35 ALA HA H 9.700 13.114 -0.711 1.00 . A A . 35 ALA HA 1 1 19 22497 1 1 35 ALA HB1 H 7.849 14.177 1.457 1.00 . A A . 35 ALA HB1 1 1 19 22498 1 1 35 ALA HB2 H 9.630 14.231 1.473 1.00 . A A . 35 ALA HB2 1 1 19 22499 1 1 35 ALA HB3 H 8.720 15.147 0.246 1.00 . A A . 35 ALA HB3 1 1 19 22500 1 1 35 ALA N N 7.617 13.095 -0.973 1.00 . A A . 35 ALA N 1 1 19 22501 1 1 35 ALA O O 8.777 11.621 1.831 1.00 . A A . 35 ALA O 1 1 19 22502 1 1 36 LYS C C 6.815 9.415 0.828 1.00 . A A . 36 LYS C 1 1 19 22503 1 1 36 LYS CA C 8.237 9.303 0.253 1.00 . A A . 36 LYS CA 1 1 19 22504 1 1 36 LYS CB C 9.211 8.650 1.247 1.00 . A A . 36 LYS CB 1 1 19 22505 1 1 36 LYS CD C 11.306 7.255 1.161 1.00 . A A . 36 LYS CD 1 1 19 22506 1 1 36 LYS CE C 11.232 6.961 2.673 1.00 . A A . 36 LYS CE 1 1 19 22507 1 1 36 LYS CG C 10.668 8.599 0.770 1.00 . A A . 36 LYS CG 1 1 19 22508 1 1 36 LYS H H 8.746 10.780 -1.186 1.00 . A A . 36 LYS H 1 1 19 22509 1 1 36 LYS HA H 8.171 8.673 -0.632 1.00 . A A . 36 LYS HA 1 1 19 22510 1 1 36 LYS HB2 H 9.165 9.161 2.210 1.00 . A A . 36 LYS HB2 1 1 19 22511 1 1 36 LYS HB3 H 8.886 7.627 1.401 1.00 . A A . 36 LYS HB3 1 1 19 22512 1 1 36 LYS HD2 H 10.784 6.473 0.608 1.00 . A A . 36 LYS HD2 1 1 19 22513 1 1 36 LYS HD3 H 12.349 7.249 0.836 1.00 . A A . 36 LYS HD3 1 1 19 22514 1 1 36 LYS HE2 H 11.989 7.544 3.193 1.00 . A A . 36 LYS HE2 1 1 19 22515 1 1 36 LYS HE3 H 10.261 7.239 3.083 1.00 . A A . 36 LYS HE3 1 1 19 22516 1 1 36 LYS HG2 H 10.701 8.685 -0.317 1.00 . A A . 36 LYS HG2 1 1 19 22517 1 1 36 LYS HG3 H 11.221 9.435 1.200 1.00 . A A . 36 LYS HG3 1 1 19 22518 1 1 36 LYS HZ1 H 12.212 5.128 2.533 1.00 . A A . 36 LYS HZ1 1 1 19 22519 1 1 36 LYS HZ2 H 11.357 5.326 3.945 1.00 . A A . 36 LYS HZ2 1 1 19 22520 1 1 36 LYS HZ3 H 10.596 5.026 2.533 1.00 . A A . 36 LYS HZ3 1 1 19 22521 1 1 36 LYS N N 8.721 10.605 -0.186 1.00 . A A . 36 LYS N 1 1 19 22522 1 1 36 LYS NZ N 11.386 5.520 2.958 1.00 . A A . 36 LYS NZ 1 1 19 22523 1 1 36 LYS O O 6.138 10.421 0.620 1.00 . A A . 36 LYS O 1 1 19 22524 1 1 37 ILE C C 5.521 8.043 3.808 1.00 . A A . 37 ILE C 1 1 19 22525 1 1 37 ILE CA C 5.158 8.415 2.376 1.00 . A A . 37 ILE CA 1 1 19 22526 1 1 37 ILE CB C 4.083 7.440 1.866 1.00 . A A . 37 ILE CB 1 1 19 22527 1 1 37 ILE CD1 C 2.950 8.986 0.140 1.00 . A A . 37 ILE CD1 1 1 19 22528 1 1 37 ILE CG1 C 3.728 7.692 0.403 1.00 . A A . 37 ILE CG1 1 1 19 22529 1 1 37 ILE CG2 C 2.828 7.465 2.752 1.00 . A A . 37 ILE CG2 1 1 19 22530 1 1 37 ILE H H 6.921 7.526 1.519 1.00 . A A . 37 ILE H 1 1 19 22531 1 1 37 ILE HA H 4.743 9.419 2.400 1.00 . A A . 37 ILE HA 1 1 19 22532 1 1 37 ILE HB H 4.486 6.428 1.907 1.00 . A A . 37 ILE HB 1 1 19 22533 1 1 37 ILE HD11 H 3.564 9.858 0.352 1.00 . A A . 37 ILE HD11 1 1 19 22534 1 1 37 ILE HD12 H 2.644 9.002 -0.904 1.00 . A A . 37 ILE HD12 1 1 19 22535 1 1 37 ILE HD13 H 2.044 9.024 0.744 1.00 . A A . 37 ILE HD13 1 1 19 22536 1 1 37 ILE HG12 H 4.661 7.674 -0.153 1.00 . A A . 37 ILE HG12 1 1 19 22537 1 1 37 ILE HG13 H 3.115 6.863 0.065 1.00 . A A . 37 ILE HG13 1 1 19 22538 1 1 37 ILE HG21 H 2.025 6.910 2.267 1.00 . A A . 37 ILE HG21 1 1 19 22539 1 1 37 ILE HG22 H 3.034 7.000 3.715 1.00 . A A . 37 ILE HG22 1 1 19 22540 1 1 37 ILE HG23 H 2.500 8.491 2.922 1.00 . A A . 37 ILE HG23 1 1 19 22541 1 1 37 ILE N N 6.362 8.371 1.533 1.00 . A A . 37 ILE N 1 1 19 22542 1 1 37 ILE O O 5.208 8.761 4.751 1.00 . A A . 37 ILE O 1 1 19 22543 1 1 38 ALA C C 5.207 5.380 5.635 1.00 . A A . 38 ALA C 1 1 19 22544 1 1 38 ALA CA C 6.437 6.119 5.131 1.00 . A A . 38 ALA CA 1 1 19 22545 1 1 38 ALA CB C 7.042 6.985 6.218 1.00 . A A . 38 ALA CB 1 1 19 22546 1 1 38 ALA H H 6.322 6.419 3.040 1.00 . A A . 38 ALA H 1 1 19 22547 1 1 38 ALA HA H 7.190 5.374 4.865 1.00 . A A . 38 ALA HA 1 1 19 22548 1 1 38 ALA HB1 H 7.388 6.323 7.013 1.00 . A A . 38 ALA HB1 1 1 19 22549 1 1 38 ALA HB2 H 7.861 7.544 5.772 1.00 . A A . 38 ALA HB2 1 1 19 22550 1 1 38 ALA HB3 H 6.287 7.651 6.629 1.00 . A A . 38 ALA HB3 1 1 19 22551 1 1 38 ALA N N 6.142 6.870 3.919 1.00 . A A . 38 ALA N 1 1 19 22552 1 1 38 ALA O O 4.672 5.648 6.709 1.00 . A A . 38 ALA O 1 1 19 22553 1 1 39 ILE C C 4.427 2.557 6.356 1.00 . A A . 39 ILE C 1 1 19 22554 1 1 39 ILE CA C 3.798 3.434 5.273 1.00 . A A . 39 ILE CA 1 1 19 22555 1 1 39 ILE CB C 3.382 2.633 4.040 1.00 . A A . 39 ILE CB 1 1 19 22556 1 1 39 ILE CD1 C 1.402 4.165 3.351 1.00 . A A . 39 ILE CD1 1 1 19 22557 1 1 39 ILE CG1 C 2.752 3.545 2.976 1.00 . A A . 39 ILE CG1 1 1 19 22558 1 1 39 ILE CG2 C 2.466 1.474 4.409 1.00 . A A . 39 ILE CG2 1 1 19 22559 1 1 39 ILE H H 5.267 4.227 3.979 1.00 . A A . 39 ILE H 1 1 19 22560 1 1 39 ILE HA H 2.921 3.929 5.702 1.00 . A A . 39 ILE HA 1 1 19 22561 1 1 39 ILE HB H 4.285 2.201 3.608 1.00 . A A . 39 ILE HB 1 1 19 22562 1 1 39 ILE HD11 H 0.675 3.391 3.582 1.00 . A A . 39 ILE HD11 1 1 19 22563 1 1 39 ILE HD12 H 1.505 4.834 4.204 1.00 . A A . 39 ILE HD12 1 1 19 22564 1 1 39 ILE HD13 H 1.029 4.737 2.502 1.00 . A A . 39 ILE HD13 1 1 19 22565 1 1 39 ILE HG12 H 3.437 4.351 2.728 1.00 . A A . 39 ILE HG12 1 1 19 22566 1 1 39 ILE HG13 H 2.619 2.943 2.088 1.00 . A A . 39 ILE HG13 1 1 19 22567 1 1 39 ILE HG21 H 1.575 1.844 4.907 1.00 . A A . 39 ILE HG21 1 1 19 22568 1 1 39 ILE HG22 H 2.183 0.917 3.517 1.00 . A A . 39 ILE HG22 1 1 19 22569 1 1 39 ILE HG23 H 2.995 0.808 5.087 1.00 . A A . 39 ILE HG23 1 1 19 22570 1 1 39 ILE N N 4.782 4.402 4.847 1.00 . A A . 39 ILE N 1 1 19 22571 1 1 39 ILE O O 5.427 1.883 6.121 1.00 . A A . 39 ILE O 1 1 19 22572 1 1 40 ASP C C 3.022 0.598 8.645 1.00 . A A . 40 ASP C 1 1 19 22573 1 1 40 ASP CA C 4.082 1.692 8.651 1.00 . A A . 40 ASP CA 1 1 19 22574 1 1 40 ASP CB C 4.025 2.456 9.987 1.00 . A A . 40 ASP CB 1 1 19 22575 1 1 40 ASP CG C 4.952 1.903 11.063 1.00 . A A . 40 ASP CG 1 1 19 22576 1 1 40 ASP H H 2.962 3.124 7.540 1.00 . A A . 40 ASP H 1 1 19 22577 1 1 40 ASP HA H 5.072 1.247 8.534 1.00 . A A . 40 ASP HA 1 1 19 22578 1 1 40 ASP HB2 H 4.351 3.464 9.804 1.00 . A A . 40 ASP HB2 1 1 19 22579 1 1 40 ASP HB3 H 3.006 2.486 10.373 1.00 . A A . 40 ASP HB3 1 1 19 22580 1 1 40 ASP N N 3.808 2.587 7.534 1.00 . A A . 40 ASP N 1 1 19 22581 1 1 40 ASP O O 2.083 0.630 7.857 1.00 . A A . 40 ASP O 1 1 19 22582 1 1 40 ASP OD1 O 4.958 0.667 11.245 1.00 . A A . 40 ASP OD1 1 1 19 22583 1 1 40 ASP OD2 O 5.608 2.704 11.754 1.00 . A A . 40 ASP OD2 1 1 19 22584 1 1 41 LYS C C 0.825 -0.793 10.145 1.00 . A A . 41 LYS C 1 1 19 22585 1 1 41 LYS CA C 2.198 -1.387 9.853 1.00 . A A . 41 LYS CA 1 1 19 22586 1 1 41 LYS CB C 2.759 -2.294 10.961 1.00 . A A . 41 LYS CB 1 1 19 22587 1 1 41 LYS CD C 4.066 -2.428 13.139 1.00 . A A . 41 LYS CD 1 1 19 22588 1 1 41 LYS CE C 4.870 -1.508 14.071 1.00 . A A . 41 LYS CE 1 1 19 22589 1 1 41 LYS CG C 2.988 -1.661 12.346 1.00 . A A . 41 LYS CG 1 1 19 22590 1 1 41 LYS H H 3.895 -0.145 10.239 1.00 . A A . 41 LYS H 1 1 19 22591 1 1 41 LYS HA H 2.105 -1.981 8.944 1.00 . A A . 41 LYS HA 1 1 19 22592 1 1 41 LYS HB2 H 2.100 -3.145 11.066 1.00 . A A . 41 LYS HB2 1 1 19 22593 1 1 41 LYS HB3 H 3.717 -2.652 10.595 1.00 . A A . 41 LYS HB3 1 1 19 22594 1 1 41 LYS HD2 H 3.572 -3.205 13.726 1.00 . A A . 41 LYS HD2 1 1 19 22595 1 1 41 LYS HD3 H 4.768 -2.926 12.468 1.00 . A A . 41 LYS HD3 1 1 19 22596 1 1 41 LYS HE2 H 4.184 -0.882 14.647 1.00 . A A . 41 LYS HE2 1 1 19 22597 1 1 41 LYS HE3 H 5.435 -2.128 14.769 1.00 . A A . 41 LYS HE3 1 1 19 22598 1 1 41 LYS HG2 H 3.293 -0.630 12.228 1.00 . A A . 41 LYS HG2 1 1 19 22599 1 1 41 LYS HG3 H 2.052 -1.666 12.908 1.00 . A A . 41 LYS HG3 1 1 19 22600 1 1 41 LYS HZ1 H 6.502 -1.214 12.828 1.00 . A A . 41 LYS HZ1 1 1 19 22601 1 1 41 LYS HZ2 H 5.355 -0.083 12.633 1.00 . A A . 41 LYS HZ2 1 1 19 22602 1 1 41 LYS HZ3 H 6.318 -0.023 13.947 1.00 . A A . 41 LYS HZ3 1 1 19 22603 1 1 41 LYS N N 3.138 -0.318 9.593 1.00 . A A . 41 LYS N 1 1 19 22604 1 1 41 LYS NZ N 5.829 -0.655 13.331 1.00 . A A . 41 LYS NZ 1 1 19 22605 1 1 41 LYS O O -0.143 -1.064 9.443 1.00 . A A . 41 LYS O 1 1 19 22606 1 1 42 LYS C C -0.957 1.511 10.197 1.00 . A A . 42 LYS C 1 1 19 22607 1 1 42 LYS CA C -0.454 0.817 11.461 1.00 . A A . 42 LYS CA 1 1 19 22608 1 1 42 LYS CB C -0.132 1.796 12.597 1.00 . A A . 42 LYS CB 1 1 19 22609 1 1 42 LYS CD C -1.258 3.450 14.188 1.00 . A A . 42 LYS CD 1 1 19 22610 1 1 42 LYS CE C -0.065 4.417 14.198 1.00 . A A . 42 LYS CE 1 1 19 22611 1 1 42 LYS CG C -1.347 2.677 12.866 1.00 . A A . 42 LYS CG 1 1 19 22612 1 1 42 LYS H H 1.575 0.343 11.652 1.00 . A A . 42 LYS H 1 1 19 22613 1 1 42 LYS HA H -1.215 0.112 11.800 1.00 . A A . 42 LYS HA 1 1 19 22614 1 1 42 LYS HB2 H 0.115 1.224 13.493 1.00 . A A . 42 LYS HB2 1 1 19 22615 1 1 42 LYS HB3 H 0.720 2.419 12.322 1.00 . A A . 42 LYS HB3 1 1 19 22616 1 1 42 LYS HD2 H -2.191 4.009 14.299 1.00 . A A . 42 LYS HD2 1 1 19 22617 1 1 42 LYS HD3 H -1.181 2.737 15.010 1.00 . A A . 42 LYS HD3 1 1 19 22618 1 1 42 LYS HE2 H 0.866 3.848 14.175 1.00 . A A . 42 LYS HE2 1 1 19 22619 1 1 42 LYS HE3 H -0.105 5.050 13.307 1.00 . A A . 42 LYS HE3 1 1 19 22620 1 1 42 LYS HG2 H -1.452 3.372 12.032 1.00 . A A . 42 LYS HG2 1 1 19 22621 1 1 42 LYS HG3 H -2.220 2.024 12.893 1.00 . A A . 42 LYS HG3 1 1 19 22622 1 1 42 LYS HZ1 H -0.898 5.848 15.422 1.00 . A A . 42 LYS HZ1 1 1 19 22623 1 1 42 LYS HZ2 H -0.018 4.716 16.235 1.00 . A A . 42 LYS HZ2 1 1 19 22624 1 1 42 LYS HZ3 H 0.743 5.892 15.374 1.00 . A A . 42 LYS HZ3 1 1 19 22625 1 1 42 LYS N N 0.747 0.082 11.151 1.00 . A A . 42 LYS N 1 1 19 22626 1 1 42 LYS NZ N -0.062 5.280 15.398 1.00 . A A . 42 LYS NZ 1 1 19 22627 1 1 42 LYS O O -2.051 1.218 9.719 1.00 . A A . 42 LYS O 1 1 19 22628 1 1 43 SER C C -0.449 2.551 7.135 1.00 . A A . 43 SER C 1 1 19 22629 1 1 43 SER CA C -0.523 3.235 8.502 1.00 . A A . 43 SER CA 1 1 19 22630 1 1 43 SER CB C 0.426 4.405 8.498 1.00 . A A . 43 SER CB 1 1 19 22631 1 1 43 SER H H 0.784 2.565 9.985 1.00 . A A . 43 SER H 1 1 19 22632 1 1 43 SER HA H -1.538 3.605 8.662 1.00 . A A . 43 SER HA 1 1 19 22633 1 1 43 SER HB2 H 1.370 4.013 8.134 1.00 . A A . 43 SER HB2 1 1 19 22634 1 1 43 SER HB3 H 0.003 5.098 7.781 1.00 . A A . 43 SER HB3 1 1 19 22635 1 1 43 SER HG H 1.176 5.702 9.744 1.00 . A A . 43 SER HG 1 1 19 22636 1 1 43 SER N N -0.134 2.382 9.609 1.00 . A A . 43 SER N 1 1 19 22637 1 1 43 SER O O -0.143 3.179 6.128 1.00 . A A . 43 SER O 1 1 19 22638 1 1 43 SER OG O 0.580 4.949 9.798 1.00 . A A . 43 SER OG 1 1 19 22639 1 1 44 ALA C C -2.274 -0.419 6.422 1.00 . A A . 44 ALA C 1 1 19 22640 1 1 44 ALA CA C -0.993 0.328 6.073 1.00 . A A . 44 ALA CA 1 1 19 22641 1 1 44 ALA CB C 0.154 -0.681 5.993 1.00 . A A . 44 ALA CB 1 1 19 22642 1 1 44 ALA H H -0.657 0.905 8.073 1.00 . A A . 44 ALA H 1 1 19 22643 1 1 44 ALA HA H -1.140 0.854 5.131 1.00 . A A . 44 ALA HA 1 1 19 22644 1 1 44 ALA HB1 H -0.081 -1.438 5.248 1.00 . A A . 44 ALA HB1 1 1 19 22645 1 1 44 ALA HB2 H 1.078 -0.179 5.734 1.00 . A A . 44 ALA HB2 1 1 19 22646 1 1 44 ALA HB3 H 0.306 -1.161 6.960 1.00 . A A . 44 ALA HB3 1 1 19 22647 1 1 44 ALA N N -0.712 1.258 7.147 1.00 . A A . 44 ALA N 1 1 19 22648 1 1 44 ALA O O -3.199 -0.520 5.612 1.00 . A A . 44 ALA O 1 1 19 22649 1 1 45 HIS C C -4.640 -0.969 8.430 1.00 . A A . 45 HIS C 1 1 19 22650 1 1 45 HIS CA C -3.384 -1.788 8.148 1.00 . A A . 45 HIS CA 1 1 19 22651 1 1 45 HIS CB C -2.969 -2.482 9.444 1.00 . A A . 45 HIS CB 1 1 19 22652 1 1 45 HIS CD2 C -1.227 -4.022 8.266 1.00 . A A . 45 HIS CD2 1 1 19 22653 1 1 45 HIS CE1 C -0.310 -4.863 10.067 1.00 . A A . 45 HIS CE1 1 1 19 22654 1 1 45 HIS CG C -1.824 -3.457 9.370 1.00 . A A . 45 HIS CG 1 1 19 22655 1 1 45 HIS H H -1.551 -0.690 8.286 1.00 . A A . 45 HIS H 1 1 19 22656 1 1 45 HIS HA H -3.624 -2.547 7.402 1.00 . A A . 45 HIS HA 1 1 19 22657 1 1 45 HIS HB2 H -2.717 -1.717 10.180 1.00 . A A . 45 HIS HB2 1 1 19 22658 1 1 45 HIS HB3 H -3.829 -3.036 9.822 1.00 . A A . 45 HIS HB3 1 1 19 22659 1 1 45 HIS HD1 H -1.451 -3.768 11.444 1.00 . A A . 45 HIS HD1 1 1 19 22660 1 1 45 HIS HD2 H -1.465 -3.838 7.231 1.00 . A A . 45 HIS HD2 1 1 19 22661 1 1 45 HIS HE1 H 0.289 -5.457 10.733 1.00 . A A . 45 HIS HE1 1 1 19 22662 1 1 45 HIS N N -2.309 -0.941 7.651 1.00 . A A . 45 HIS N 1 1 19 22663 1 1 45 HIS ND1 N -1.226 -3.985 10.485 1.00 . A A . 45 HIS ND1 1 1 19 22664 1 1 45 HIS NE2 N -0.265 -4.931 8.729 1.00 . A A . 45 HIS NE2 1 1 19 22665 1 1 45 HIS O O -5.736 -1.526 8.497 1.00 . A A . 45 HIS O 1 1 19 22666 1 1 46 LYS C C -5.137 2.625 8.262 1.00 . A A . 46 LYS C 1 1 19 22667 1 1 46 LYS CA C -5.602 1.253 8.731 1.00 . A A . 46 LYS CA 1 1 19 22668 1 1 46 LYS CB C -6.143 1.288 10.172 1.00 . A A . 46 LYS CB 1 1 19 22669 1 1 46 LYS CD C -8.529 2.072 9.511 1.00 . A A . 46 LYS CD 1 1 19 22670 1 1 46 LYS CE C -9.312 0.794 9.846 1.00 . A A . 46 LYS CE 1 1 19 22671 1 1 46 LYS CG C -7.281 2.304 10.385 1.00 . A A . 46 LYS CG 1 1 19 22672 1 1 46 LYS H H -3.546 0.739 8.652 1.00 . A A . 46 LYS H 1 1 19 22673 1 1 46 LYS HA H -6.383 0.890 8.063 1.00 . A A . 46 LYS HA 1 1 19 22674 1 1 46 LYS HB2 H -6.480 0.291 10.455 1.00 . A A . 46 LYS HB2 1 1 19 22675 1 1 46 LYS HB3 H -5.320 1.563 10.835 1.00 . A A . 46 LYS HB3 1 1 19 22676 1 1 46 LYS HD2 H -9.184 2.939 9.601 1.00 . A A . 46 LYS HD2 1 1 19 22677 1 1 46 LYS HD3 H -8.235 2.016 8.464 1.00 . A A . 46 LYS HD3 1 1 19 22678 1 1 46 LYS HE2 H -10.096 0.670 9.096 1.00 . A A . 46 LYS HE2 1 1 19 22679 1 1 46 LYS HE3 H -8.653 -0.073 9.784 1.00 . A A . 46 LYS HE3 1 1 19 22680 1 1 46 LYS HG2 H -7.549 2.309 11.441 1.00 . A A . 46 LYS HG2 1 1 19 22681 1 1 46 LYS HG3 H -6.896 3.300 10.162 1.00 . A A . 46 LYS HG3 1 1 19 22682 1 1 46 LYS HZ1 H -10.558 1.661 11.233 1.00 . A A . 46 LYS HZ1 1 1 19 22683 1 1 46 LYS HZ2 H -10.480 0.023 11.349 1.00 . A A . 46 LYS HZ2 1 1 19 22684 1 1 46 LYS HZ3 H -9.232 0.942 11.895 1.00 . A A . 46 LYS HZ3 1 1 19 22685 1 1 46 LYS N N -4.485 0.341 8.627 1.00 . A A . 46 LYS N 1 1 19 22686 1 1 46 LYS NZ N -9.941 0.862 11.180 1.00 . A A . 46 LYS NZ 1 1 19 22687 1 1 46 LYS O O -4.136 3.146 8.744 1.00 . A A . 46 LYS O 1 1 19 22688 1 1 47 ASP C C -4.809 4.734 5.767 1.00 . A A . 47 ASP C 1 1 19 22689 1 1 47 ASP CA C -5.844 4.570 6.868 1.00 . A A . 47 ASP CA 1 1 19 22690 1 1 47 ASP CB C -5.741 5.568 8.031 1.00 . A A . 47 ASP CB 1 1 19 22691 1 1 47 ASP CG C -6.397 6.901 7.703 1.00 . A A . 47 ASP CG 1 1 19 22692 1 1 47 ASP H H -6.576 2.608 6.857 1.00 . A A . 47 ASP H 1 1 19 22693 1 1 47 ASP HA H -6.784 4.732 6.351 1.00 . A A . 47 ASP HA 1 1 19 22694 1 1 47 ASP HB2 H -6.261 5.185 8.905 1.00 . A A . 47 ASP HB2 1 1 19 22695 1 1 47 ASP HB3 H -4.693 5.725 8.286 1.00 . A A . 47 ASP HB3 1 1 19 22696 1 1 47 ASP N N -5.901 3.193 7.332 1.00 . A A . 47 ASP N 1 1 19 22697 1 1 47 ASP O O -4.285 5.815 5.521 1.00 . A A . 47 ASP O 1 1 19 22698 1 1 47 ASP OD1 O -7.535 6.850 7.185 1.00 . A A . 47 ASP OD1 1 1 19 22699 1 1 47 ASP OD2 O -5.788 7.937 8.042 1.00 . A A . 47 ASP OD2 1 1 19 22700 1 1 48 ALA C C -4.276 2.440 3.016 1.00 . A A . 48 ALA C 1 1 19 22701 1 1 48 ALA CA C -3.745 3.576 3.887 1.00 . A A . 48 ALA CA 1 1 19 22702 1 1 48 ALA CB C -2.317 3.374 4.372 1.00 . A A . 48 ALA CB 1 1 19 22703 1 1 48 ALA H H -4.892 2.736 5.404 1.00 . A A . 48 ALA H 1 1 19 22704 1 1 48 ALA HA H -3.813 4.508 3.327 1.00 . A A . 48 ALA HA 1 1 19 22705 1 1 48 ALA HB1 H -2.340 2.618 5.161 1.00 . A A . 48 ALA HB1 1 1 19 22706 1 1 48 ALA HB2 H -1.655 3.078 3.559 1.00 . A A . 48 ALA HB2 1 1 19 22707 1 1 48 ALA HB3 H -1.964 4.310 4.803 1.00 . A A . 48 ALA HB3 1 1 19 22708 1 1 48 ALA N N -4.564 3.626 5.066 1.00 . A A . 48 ALA N 1 1 19 22709 1 1 48 ALA O O -5.344 2.569 2.415 1.00 . A A . 48 ALA O 1 1 19 22710 1 1 49 CYS C C -5.237 -0.352 2.505 1.00 . A A . 49 CYS C 1 1 19 22711 1 1 49 CYS CA C -3.864 0.194 2.114 1.00 . A A . 49 CYS CA 1 1 19 22712 1 1 49 CYS CB C -2.796 -0.880 2.185 1.00 . A A . 49 CYS CB 1 1 19 22713 1 1 49 CYS H H -2.806 1.218 3.651 1.00 . A A . 49 CYS H 1 1 19 22714 1 1 49 CYS HA H -3.918 0.564 1.090 1.00 . A A . 49 CYS HA 1 1 19 22715 1 1 49 CYS HB2 H -3.010 -1.522 3.025 1.00 . A A . 49 CYS HB2 1 1 19 22716 1 1 49 CYS HB3 H -2.847 -1.500 1.291 1.00 . A A . 49 CYS HB3 1 1 19 22717 1 1 49 CYS N N -3.566 1.311 2.996 1.00 . A A . 49 CYS N 1 1 19 22718 1 1 49 CYS O O -6.205 -0.265 1.749 1.00 . A A . 49 CYS O 1 1 19 22719 1 1 49 CYS SG S -1.085 -0.320 2.489 1.00 . A A . 49 CYS SG 1 1 19 22720 1 1 50 LYS C C -7.517 -0.292 4.780 1.00 . A A . 50 LYS C 1 1 19 22721 1 1 50 LYS CA C -6.586 -1.410 4.280 1.00 . A A . 50 LYS CA 1 1 19 22722 1 1 50 LYS CB C -6.187 -2.464 5.318 1.00 . A A . 50 LYS CB 1 1 19 22723 1 1 50 LYS CD C -6.760 -4.476 6.676 1.00 . A A . 50 LYS CD 1 1 19 22724 1 1 50 LYS CE C -7.876 -5.317 7.311 1.00 . A A . 50 LYS CE 1 1 19 22725 1 1 50 LYS CG C -7.343 -3.289 5.899 1.00 . A A . 50 LYS CG 1 1 19 22726 1 1 50 LYS H H -4.551 -0.787 4.361 1.00 . A A . 50 LYS H 1 1 19 22727 1 1 50 LYS HA H -7.108 -1.934 3.478 1.00 . A A . 50 LYS HA 1 1 19 22728 1 1 50 LYS HB2 H -5.505 -3.154 4.824 1.00 . A A . 50 LYS HB2 1 1 19 22729 1 1 50 LYS HB3 H -5.643 -1.970 6.115 1.00 . A A . 50 LYS HB3 1 1 19 22730 1 1 50 LYS HD2 H -6.175 -5.089 5.986 1.00 . A A . 50 LYS HD2 1 1 19 22731 1 1 50 LYS HD3 H -6.096 -4.086 7.452 1.00 . A A . 50 LYS HD3 1 1 19 22732 1 1 50 LYS HE2 H -8.412 -4.702 8.038 1.00 . A A . 50 LYS HE2 1 1 19 22733 1 1 50 LYS HE3 H -8.579 -5.629 6.535 1.00 . A A . 50 LYS HE3 1 1 19 22734 1 1 50 LYS HG2 H -7.933 -2.667 6.575 1.00 . A A . 50 LYS HG2 1 1 19 22735 1 1 50 LYS HG3 H -7.979 -3.647 5.088 1.00 . A A . 50 LYS HG3 1 1 19 22736 1 1 50 LYS HZ1 H -6.882 -7.121 7.320 1.00 . A A . 50 LYS HZ1 1 1 19 22737 1 1 50 LYS HZ2 H -6.682 -6.251 8.705 1.00 . A A . 50 LYS HZ2 1 1 19 22738 1 1 50 LYS HZ3 H -8.100 -7.034 8.418 1.00 . A A . 50 LYS HZ3 1 1 19 22739 1 1 50 LYS N N -5.359 -0.837 3.744 1.00 . A A . 50 LYS N 1 1 19 22740 1 1 50 LYS NZ N -7.343 -6.518 7.988 1.00 . A A . 50 LYS NZ 1 1 19 22741 1 1 50 LYS O O -8.030 -0.324 5.896 1.00 . A A . 50 LYS O 1 1 19 22742 1 1 51 THR C C -9.130 1.930 2.449 1.00 . A A . 51 THR C 1 1 19 22743 1 1 51 THR CA C -8.802 1.672 3.915 1.00 . A A . 51 THR CA 1 1 19 22744 1 1 51 THR CB C -8.350 2.947 4.648 1.00 . A A . 51 THR CB 1 1 19 22745 1 1 51 THR CG2 C -9.341 4.105 4.465 1.00 . A A . 51 THR CG2 1 1 19 22746 1 1 51 THR H H -7.287 0.556 2.996 1.00 . A A . 51 THR H 1 1 19 22747 1 1 51 THR HA H -9.689 1.269 4.407 1.00 . A A . 51 THR HA 1 1 19 22748 1 1 51 THR HB H -7.375 3.269 4.276 1.00 . A A . 51 THR HB 1 1 19 22749 1 1 51 THR HG1 H -8.376 3.512 6.501 1.00 . A A . 51 THR HG1 1 1 19 22750 1 1 51 THR HG21 H -9.389 4.411 3.420 1.00 . A A . 51 THR HG21 1 1 19 22751 1 1 51 THR HG22 H -10.334 3.805 4.800 1.00 . A A . 51 THR HG22 1 1 19 22752 1 1 51 THR HG23 H -9.014 4.968 5.049 1.00 . A A . 51 THR HG23 1 1 19 22753 1 1 51 THR N N -7.755 0.667 3.887 1.00 . A A . 51 THR N 1 1 19 22754 1 1 51 THR O O -10.244 1.669 2.004 1.00 . A A . 51 THR O 1 1 19 22755 1 1 51 THR OG1 O -8.263 2.679 6.032 1.00 . A A . 51 THR OG1 1 1 19 22756 1 1 52 CYS C C -8.804 1.399 -0.473 1.00 . A A . 52 CYS C 1 1 19 22757 1 1 52 CYS CA C -8.308 2.650 0.257 1.00 . A A . 52 CYS CA 1 1 19 22758 1 1 52 CYS CB C -6.994 3.142 -0.277 1.00 . A A . 52 CYS CB 1 1 19 22759 1 1 52 CYS H H -7.205 2.512 2.065 1.00 . A A . 52 CYS H 1 1 19 22760 1 1 52 CYS HA H -9.052 3.441 0.144 1.00 . A A . 52 CYS HA 1 1 19 22761 1 1 52 CYS HB2 H -6.556 3.814 0.463 1.00 . A A . 52 CYS HB2 1 1 19 22762 1 1 52 CYS HB3 H -6.314 2.305 -0.427 1.00 . A A . 52 CYS HB3 1 1 19 22763 1 1 52 CYS N N -8.139 2.381 1.677 1.00 . A A . 52 CYS N 1 1 19 22764 1 1 52 CYS O O -9.673 1.470 -1.338 1.00 . A A . 52 CYS O 1 1 19 22765 1 1 52 CYS SG S -7.194 4.164 -1.758 1.00 . A A . 52 CYS SG 1 1 19 22766 1 1 53 HIS C C -10.105 -1.423 -0.657 1.00 . A A . 53 HIS C 1 1 19 22767 1 1 53 HIS CA C -8.635 -1.034 -0.710 1.00 . A A . 53 HIS CA 1 1 19 22768 1 1 53 HIS CB C -7.811 -2.185 -0.115 1.00 . A A . 53 HIS CB 1 1 19 22769 1 1 53 HIS CD2 C -5.914 -1.653 -1.737 1.00 . A A . 53 HIS CD2 1 1 19 22770 1 1 53 HIS CE1 C -4.424 -3.086 -1.074 1.00 . A A . 53 HIS CE1 1 1 19 22771 1 1 53 HIS CG C -6.414 -2.296 -0.645 1.00 . A A . 53 HIS CG 1 1 19 22772 1 1 53 HIS H H -7.530 0.232 0.591 1.00 . A A . 53 HIS H 1 1 19 22773 1 1 53 HIS HA H -8.438 -0.942 -1.777 1.00 . A A . 53 HIS HA 1 1 19 22774 1 1 53 HIS HB2 H -7.788 -2.095 0.970 1.00 . A A . 53 HIS HB2 1 1 19 22775 1 1 53 HIS HB3 H -8.295 -3.128 -0.368 1.00 . A A . 53 HIS HB3 1 1 19 22776 1 1 53 HIS HD1 H -5.550 -3.883 0.504 1.00 . A A . 53 HIS HD1 1 1 19 22777 1 1 53 HIS HD2 H -6.378 -0.911 -2.345 1.00 . A A . 53 HIS HD2 1 1 19 22778 1 1 53 HIS HE1 H -3.521 -3.666 -1.017 1.00 . A A . 53 HIS HE1 1 1 19 22779 1 1 53 HIS N N -8.289 0.229 -0.084 1.00 . A A . 53 HIS N 1 1 19 22780 1 1 53 HIS ND1 N -5.474 -3.212 -0.242 1.00 . A A . 53 HIS ND1 1 1 19 22781 1 1 53 HIS NE2 N -4.648 -2.141 -1.999 1.00 . A A . 53 HIS NE2 1 1 19 22782 1 1 53 HIS O O -10.431 -2.335 -1.410 1.00 . A A . 53 HIS O 1 1 19 22783 1 1 54 LYS C C -12.985 -1.911 -0.792 1.00 . A A . 54 LYS C 1 1 19 22784 1 1 54 LYS CA C -12.353 -1.192 0.412 1.00 . A A . 54 LYS CA 1 1 19 22785 1 1 54 LYS CB C -13.150 0.058 0.803 1.00 . A A . 54 LYS CB 1 1 19 22786 1 1 54 LYS CD C -13.267 1.812 2.637 1.00 . A A . 54 LYS CD 1 1 19 22787 1 1 54 LYS CE C -14.726 2.210 2.375 1.00 . A A . 54 LYS CE 1 1 19 22788 1 1 54 LYS CG C -13.005 0.339 2.307 1.00 . A A . 54 LYS CG 1 1 19 22789 1 1 54 LYS H H -10.585 -0.063 0.757 1.00 . A A . 54 LYS H 1 1 19 22790 1 1 54 LYS HA H -12.406 -1.868 1.266 1.00 . A A . 54 LYS HA 1 1 19 22791 1 1 54 LYS HB2 H -12.797 0.903 0.209 1.00 . A A . 54 LYS HB2 1 1 19 22792 1 1 54 LYS HB3 H -14.208 -0.101 0.588 1.00 . A A . 54 LYS HB3 1 1 19 22793 1 1 54 LYS HD2 H -13.008 1.963 3.686 1.00 . A A . 54 LYS HD2 1 1 19 22794 1 1 54 LYS HD3 H -12.591 2.414 2.026 1.00 . A A . 54 LYS HD3 1 1 19 22795 1 1 54 LYS HE2 H -14.974 2.017 1.328 1.00 . A A . 54 LYS HE2 1 1 19 22796 1 1 54 LYS HE3 H -15.383 1.603 3.002 1.00 . A A . 54 LYS HE3 1 1 19 22797 1 1 54 LYS HG2 H -13.685 -0.306 2.868 1.00 . A A . 54 LYS HG2 1 1 19 22798 1 1 54 LYS HG3 H -11.990 0.096 2.623 1.00 . A A . 54 LYS HG3 1 1 19 22799 1 1 54 LYS HZ1 H -14.386 4.213 2.059 1.00 . A A . 54 LYS HZ1 1 1 19 22800 1 1 54 LYS HZ2 H -15.938 3.864 2.470 1.00 . A A . 54 LYS HZ2 1 1 19 22801 1 1 54 LYS HZ3 H -14.765 3.851 3.621 1.00 . A A . 54 LYS HZ3 1 1 19 22802 1 1 54 LYS N N -10.941 -0.840 0.215 1.00 . A A . 54 LYS N 1 1 19 22803 1 1 54 LYS NZ N -14.970 3.640 2.654 1.00 . A A . 54 LYS NZ 1 1 19 22804 1 1 54 LYS O O -13.437 -1.273 -1.740 1.00 . A A . 54 LYS O 1 1 19 22805 1 1 55 SER C C -12.716 -4.314 -2.984 1.00 . A A . 55 SER C 1 1 19 22806 1 1 55 SER CA C -13.557 -4.164 -1.706 1.00 . A A . 55 SER CA 1 1 19 22807 1 1 55 SER CB C -15.024 -3.816 -2.002 1.00 . A A . 55 SER CB 1 1 19 22808 1 1 55 SER H H -12.535 -3.650 0.080 1.00 . A A . 55 SER H 1 1 19 22809 1 1 55 SER HA H -13.556 -5.149 -1.237 1.00 . A A . 55 SER HA 1 1 19 22810 1 1 55 SER HB2 H -15.087 -2.893 -2.579 1.00 . A A . 55 SER HB2 1 1 19 22811 1 1 55 SER HB3 H -15.466 -4.614 -2.601 1.00 . A A . 55 SER HB3 1 1 19 22812 1 1 55 SER HG H -15.713 -4.508 -0.310 1.00 . A A . 55 SER HG 1 1 19 22813 1 1 55 SER N N -12.987 -3.246 -0.724 1.00 . A A . 55 SER N 1 1 19 22814 1 1 55 SER O O -13.277 -4.423 -4.072 1.00 . A A . 55 SER O 1 1 19 22815 1 1 55 SER OG O -15.741 -3.675 -0.787 1.00 . A A . 55 SER OG 1 1 19 22816 1 1 56 ASN C C -9.698 -6.064 -3.433 1.00 . A A . 56 ASN C 1 1 19 22817 1 1 56 ASN CA C -10.461 -4.821 -3.897 1.00 . A A . 56 ASN CA 1 1 19 22818 1 1 56 ASN CB C -9.484 -3.695 -4.274 1.00 . A A . 56 ASN CB 1 1 19 22819 1 1 56 ASN CG C -10.183 -2.527 -4.957 1.00 . A A . 56 ASN CG 1 1 19 22820 1 1 56 ASN H H -10.997 -4.112 -1.955 1.00 . A A . 56 ASN H 1 1 19 22821 1 1 56 ASN HA H -11.011 -5.099 -4.798 1.00 . A A . 56 ASN HA 1 1 19 22822 1 1 56 ASN HB2 H -8.946 -3.336 -3.397 1.00 . A A . 56 ASN HB2 1 1 19 22823 1 1 56 ASN HB3 H -8.751 -4.096 -4.976 1.00 . A A . 56 ASN HB3 1 1 19 22824 1 1 56 ASN HD21 H -10.199 -1.447 -3.236 1.00 . A A . 56 ASN HD21 1 1 19 22825 1 1 56 ASN HD22 H -10.928 -0.675 -4.637 1.00 . A A . 56 ASN HD22 1 1 19 22826 1 1 56 ASN N N -11.388 -4.396 -2.846 1.00 . A A . 56 ASN N 1 1 19 22827 1 1 56 ASN ND2 N -10.425 -1.445 -4.223 1.00 . A A . 56 ASN ND2 1 1 19 22828 1 1 56 ASN O O -9.939 -7.158 -3.932 1.00 . A A . 56 ASN O 1 1 19 22829 1 1 56 ASN OD1 O -10.483 -2.580 -6.143 1.00 . A A . 56 ASN OD1 1 1 19 22830 1 1 57 ASN C C -8.701 -8.191 -1.576 1.00 . A A . 57 ASN C 1 1 19 22831 1 1 57 ASN CA C -7.914 -6.924 -1.924 1.00 . A A . 57 ASN CA 1 1 19 22832 1 1 57 ASN CB C -7.194 -6.358 -0.688 1.00 . A A . 57 ASN CB 1 1 19 22833 1 1 57 ASN CG C -6.575 -7.418 0.228 1.00 . A A . 57 ASN CG 1 1 19 22834 1 1 57 ASN H H -8.634 -4.941 -2.148 1.00 . A A . 57 ASN H 1 1 19 22835 1 1 57 ASN HA H -7.163 -7.165 -2.672 1.00 . A A . 57 ASN HA 1 1 19 22836 1 1 57 ASN HB2 H -6.408 -5.685 -1.032 1.00 . A A . 57 ASN HB2 1 1 19 22837 1 1 57 ASN HB3 H -7.903 -5.788 -0.089 1.00 . A A . 57 ASN HB3 1 1 19 22838 1 1 57 ASN HD21 H -8.412 -8.095 0.779 1.00 . A A . 57 ASN HD21 1 1 19 22839 1 1 57 ASN HD22 H -7.057 -8.905 1.543 1.00 . A A . 57 ASN HD22 1 1 19 22840 1 1 57 ASN N N -8.778 -5.881 -2.478 1.00 . A A . 57 ASN N 1 1 19 22841 1 1 57 ASN ND2 N -7.412 -8.162 0.945 1.00 . A A . 57 ASN ND2 1 1 19 22842 1 1 57 ASN O O -9.623 -8.123 -0.761 1.00 . A A . 57 ASN O 1 1 19 22843 1 1 57 ASN OD1 O -5.359 -7.519 0.344 1.00 . A A . 57 ASN OD1 1 1 19 22844 1 1 58 GLY C C -8.882 -11.157 -0.488 1.00 . A A . 58 GLY C 1 1 19 22845 1 1 58 GLY CA C -8.973 -10.614 -1.921 1.00 . A A . 58 GLY CA 1 1 19 22846 1 1 58 GLY H H -7.478 -9.323 -2.738 1.00 . A A . 58 GLY H 1 1 19 22847 1 1 58 GLY HA2 H -10.025 -10.488 -2.182 1.00 . A A . 58 GLY HA2 1 1 19 22848 1 1 58 GLY HA3 H -8.547 -11.343 -2.610 1.00 . A A . 58 GLY HA3 1 1 19 22849 1 1 58 GLY N N -8.296 -9.342 -2.116 1.00 . A A . 58 GLY N 1 1 19 22850 1 1 58 GLY O O -9.888 -11.193 0.221 1.00 . A A . 58 GLY O 1 1 19 22851 1 1 59 PRO C C -7.748 -11.590 2.410 1.00 . A A . 59 PRO C 1 1 19 22852 1 1 59 PRO CA C -7.606 -12.461 1.159 1.00 . A A . 59 PRO CA 1 1 19 22853 1 1 59 PRO CB C -6.237 -13.142 1.085 1.00 . A A . 59 PRO CB 1 1 19 22854 1 1 59 PRO CD C -6.448 -11.640 -0.768 1.00 . A A . 59 PRO CD 1 1 19 22855 1 1 59 PRO CG C -5.428 -12.158 0.244 1.00 . A A . 59 PRO CG 1 1 19 22856 1 1 59 PRO HA H -8.382 -13.230 1.165 1.00 . A A . 59 PRO HA 1 1 19 22857 1 1 59 PRO HB2 H -5.791 -13.311 2.067 1.00 . A A . 59 PRO HB2 1 1 19 22858 1 1 59 PRO HB3 H -6.325 -14.086 0.544 1.00 . A A . 59 PRO HB3 1 1 19 22859 1 1 59 PRO HD2 H -6.178 -10.634 -1.093 1.00 . A A . 59 PRO HD2 1 1 19 22860 1 1 59 PRO HD3 H -6.489 -12.310 -1.629 1.00 . A A . 59 PRO HD3 1 1 19 22861 1 1 59 PRO HG2 H -5.126 -11.334 0.890 1.00 . A A . 59 PRO HG2 1 1 19 22862 1 1 59 PRO HG3 H -4.559 -12.618 -0.227 1.00 . A A . 59 PRO HG3 1 1 19 22863 1 1 59 PRO N N -7.717 -11.672 -0.062 1.00 . A A . 59 PRO N 1 1 19 22864 1 1 59 PRO O O -7.285 -10.452 2.445 1.00 . A A . 59 PRO O 1 1 19 22865 1 1 60 THR C C -7.740 -11.870 5.785 1.00 . A A . 60 THR C 1 1 19 22866 1 1 60 THR CA C -8.698 -11.424 4.681 1.00 . A A . 60 THR CA 1 1 19 22867 1 1 60 THR CB C -10.178 -11.664 5.044 1.00 . A A . 60 THR CB 1 1 19 22868 1 1 60 THR CG2 C -11.065 -10.641 4.329 1.00 . A A . 60 THR CG2 1 1 19 22869 1 1 60 THR H H -8.652 -13.105 3.426 1.00 . A A . 60 THR H 1 1 19 22870 1 1 60 THR HA H -8.550 -10.351 4.556 1.00 . A A . 60 THR HA 1 1 19 22871 1 1 60 THR HB H -10.312 -11.539 6.122 1.00 . A A . 60 THR HB 1 1 19 22872 1 1 60 THR HG1 H -10.725 -12.919 3.684 1.00 . A A . 60 THR HG1 1 1 19 22873 1 1 60 THR HG21 H -10.815 -9.634 4.663 1.00 . A A . 60 THR HG21 1 1 19 22874 1 1 60 THR HG22 H -10.917 -10.699 3.249 1.00 . A A . 60 THR HG22 1 1 19 22875 1 1 60 THR HG23 H -12.114 -10.834 4.557 1.00 . A A . 60 THR HG23 1 1 19 22876 1 1 60 THR N N -8.391 -12.133 3.449 1.00 . A A . 60 THR N 1 1 19 22877 1 1 60 THR O O -7.368 -11.075 6.648 1.00 . A A . 60 THR O 1 1 19 22878 1 1 60 THR OG1 O -10.618 -12.956 4.643 1.00 . A A . 60 THR OG1 1 1 19 22879 1 1 61 LYS C C -5.048 -13.446 6.522 1.00 . A A . 61 LYS C 1 1 19 22880 1 1 61 LYS CA C -6.518 -13.769 6.800 1.00 . A A . 61 LYS CA 1 1 19 22881 1 1 61 LYS CB C -6.806 -15.282 6.833 1.00 . A A . 61 LYS CB 1 1 19 22882 1 1 61 LYS CD C -9.341 -15.145 6.397 1.00 . A A . 61 LYS CD 1 1 19 22883 1 1 61 LYS CE C -10.735 -15.674 6.745 1.00 . A A . 61 LYS CE 1 1 19 22884 1 1 61 LYS CG C -8.223 -15.659 7.311 1.00 . A A . 61 LYS CG 1 1 19 22885 1 1 61 LYS H H -7.560 -13.715 4.973 1.00 . A A . 61 LYS H 1 1 19 22886 1 1 61 LYS HA H -6.775 -13.355 7.777 1.00 . A A . 61 LYS HA 1 1 19 22887 1 1 61 LYS HB2 H -6.627 -15.709 5.845 1.00 . A A . 61 LYS HB2 1 1 19 22888 1 1 61 LYS HB3 H -6.102 -15.742 7.529 1.00 . A A . 61 LYS HB3 1 1 19 22889 1 1 61 LYS HD2 H -9.400 -14.068 6.526 1.00 . A A . 61 LYS HD2 1 1 19 22890 1 1 61 LYS HD3 H -9.095 -15.397 5.364 1.00 . A A . 61 LYS HD3 1 1 19 22891 1 1 61 LYS HE2 H -10.746 -16.766 6.735 1.00 . A A . 61 LYS HE2 1 1 19 22892 1 1 61 LYS HE3 H -10.996 -15.332 7.749 1.00 . A A . 61 LYS HE3 1 1 19 22893 1 1 61 LYS HG2 H -8.275 -16.747 7.344 1.00 . A A . 61 LYS HG2 1 1 19 22894 1 1 61 LYS HG3 H -8.373 -15.267 8.317 1.00 . A A . 61 LYS HG3 1 1 19 22895 1 1 61 LYS HZ1 H -11.688 -15.690 4.925 1.00 . A A . 61 LYS HZ1 1 1 19 22896 1 1 61 LYS HZ2 H -12.663 -15.213 6.160 1.00 . A A . 61 LYS HZ2 1 1 19 22897 1 1 61 LYS HZ3 H -11.508 -14.186 5.544 1.00 . A A . 61 LYS HZ3 1 1 19 22898 1 1 61 LYS N N -7.320 -13.141 5.761 1.00 . A A . 61 LYS N 1 1 19 22899 1 1 61 LYS NZ N -11.729 -15.155 5.780 1.00 . A A . 61 LYS NZ 1 1 19 22900 1 1 61 LYS O O -4.219 -14.335 6.341 1.00 . A A . 61 LYS O 1 1 19 22901 1 1 62 CYS C C -3.162 -11.968 4.633 1.00 . A A . 62 CYS C 1 1 19 22902 1 1 62 CYS CA C -3.481 -11.575 6.079 1.00 . A A . 62 CYS CA 1 1 19 22903 1 1 62 CYS CB C -2.387 -11.920 7.071 1.00 . A A . 62 CYS CB 1 1 19 22904 1 1 62 CYS H H -5.548 -11.516 6.538 1.00 . A A . 62 CYS H 1 1 19 22905 1 1 62 CYS HA H -3.628 -10.501 6.075 1.00 . A A . 62 CYS HA 1 1 19 22906 1 1 62 CYS HB2 H -2.067 -12.950 6.913 1.00 . A A . 62 CYS HB2 1 1 19 22907 1 1 62 CYS HB3 H -1.534 -11.260 6.909 1.00 . A A . 62 CYS HB3 1 1 19 22908 1 1 62 CYS N N -4.760 -12.145 6.462 1.00 . A A . 62 CYS N 1 1 19 22909 1 1 62 CYS O O -4.069 -12.097 3.812 1.00 . A A . 62 CYS O 1 1 19 22910 1 1 62 CYS SG S -2.916 -11.781 8.805 1.00 . A A . 62 CYS SG 1 1 19 22911 1 1 63 GLY C C -1.462 -11.710 1.876 1.00 . A A . 63 GLY C 1 1 19 22912 1 1 63 GLY CA C -1.442 -12.708 3.032 1.00 . A A . 63 GLY CA 1 1 19 22913 1 1 63 GLY H H -1.188 -11.895 4.990 1.00 . A A . 63 GLY H 1 1 19 22914 1 1 63 GLY HA2 H -0.425 -13.080 3.159 1.00 . A A . 63 GLY HA2 1 1 19 22915 1 1 63 GLY HA3 H -2.085 -13.552 2.778 1.00 . A A . 63 GLY HA3 1 1 19 22916 1 1 63 GLY N N -1.881 -12.117 4.294 1.00 . A A . 63 GLY N 1 1 19 22917 1 1 63 GLY O O -0.518 -11.655 1.095 1.00 . A A . 63 GLY O 1 1 19 22918 1 1 64 GLY C C -1.540 -9.191 0.235 1.00 . A A . 64 GLY C 1 1 19 22919 1 1 64 GLY CA C -2.783 -9.918 0.747 1.00 . A A . 64 GLY CA 1 1 19 22920 1 1 64 GLY H H -3.283 -11.100 2.439 1.00 . A A . 64 GLY H 1 1 19 22921 1 1 64 GLY HA2 H -3.283 -10.384 -0.100 1.00 . A A . 64 GLY HA2 1 1 19 22922 1 1 64 GLY HA3 H -3.448 -9.173 1.188 1.00 . A A . 64 GLY HA3 1 1 19 22923 1 1 64 GLY N N -2.532 -10.915 1.782 1.00 . A A . 64 GLY N 1 1 19 22924 1 1 64 GLY O O -1.367 -9.021 -0.969 1.00 . A A . 64 GLY O 1 1 19 22925 1 1 65 CYS C C 1.712 -8.420 1.297 1.00 . A A . 65 CYS C 1 1 19 22926 1 1 65 CYS CA C 0.375 -7.788 0.899 1.00 . A A . 65 CYS CA 1 1 19 22927 1 1 65 CYS CB C 0.080 -6.508 1.646 1.00 . A A . 65 CYS CB 1 1 19 22928 1 1 65 CYS H H -0.908 -8.953 2.121 1.00 . A A . 65 CYS H 1 1 19 22929 1 1 65 CYS HA H 0.424 -7.554 -0.165 1.00 . A A . 65 CYS HA 1 1 19 22930 1 1 65 CYS HB2 H 0.327 -6.665 2.693 1.00 . A A . 65 CYS HB2 1 1 19 22931 1 1 65 CYS HB3 H 0.683 -5.692 1.256 1.00 . A A . 65 CYS HB3 1 1 19 22932 1 1 65 CYS N N -0.704 -8.728 1.165 1.00 . A A . 65 CYS N 1 1 19 22933 1 1 65 CYS O O 2.662 -8.409 0.517 1.00 . A A . 65 CYS O 1 1 19 22934 1 1 65 CYS SG S -1.674 -6.035 1.473 1.00 . A A . 65 CYS SG 1 1 19 22935 1 1 66 HIS C C 3.173 -10.954 2.147 1.00 . A A . 66 HIS C 1 1 19 22936 1 1 66 HIS CA C 2.946 -9.712 2.998 1.00 . A A . 66 HIS CA 1 1 19 22937 1 1 66 HIS CB C 2.745 -10.158 4.454 1.00 . A A . 66 HIS CB 1 1 19 22938 1 1 66 HIS CD2 C 1.620 -8.432 5.968 1.00 . A A . 66 HIS CD2 1 1 19 22939 1 1 66 HIS CE1 C 3.384 -7.355 6.681 1.00 . A A . 66 HIS CE1 1 1 19 22940 1 1 66 HIS CG C 2.728 -9.029 5.440 1.00 . A A . 66 HIS CG 1 1 19 22941 1 1 66 HIS H H 0.970 -8.940 3.105 1.00 . A A . 66 HIS H 1 1 19 22942 1 1 66 HIS HA H 3.827 -9.072 2.947 1.00 . A A . 66 HIS HA 1 1 19 22943 1 1 66 HIS HB2 H 1.832 -10.747 4.534 1.00 . A A . 66 HIS HB2 1 1 19 22944 1 1 66 HIS HB3 H 3.577 -10.811 4.719 1.00 . A A . 66 HIS HB3 1 1 19 22945 1 1 66 HIS HD1 H 4.803 -8.509 5.634 1.00 . A A . 66 HIS HD1 1 1 19 22946 1 1 66 HIS HD2 H 0.587 -8.677 5.824 1.00 . A A . 66 HIS HD2 1 1 19 22947 1 1 66 HIS HE1 H 4.011 -6.619 7.159 1.00 . A A . 66 HIS HE1 1 1 19 22948 1 1 66 HIS N N 1.780 -8.985 2.511 1.00 . A A . 66 HIS N 1 1 19 22949 1 1 66 HIS ND1 N 3.832 -8.367 5.917 1.00 . A A . 66 HIS ND1 1 1 19 22950 1 1 66 HIS NE2 N 2.043 -7.363 6.744 1.00 . A A . 66 HIS NE2 1 1 19 22951 1 1 66 HIS O O 2.412 -11.915 2.261 1.00 . A A . 66 HIS O 1 1 19 22952 1 1 67 ILE C C 5.206 -13.174 1.558 1.00 . A A . 67 ILE C 1 1 19 22953 1 1 67 ILE CA C 4.609 -12.149 0.588 1.00 . A A . 67 ILE CA 1 1 19 22954 1 1 67 ILE CB C 5.556 -11.745 -0.557 1.00 . A A . 67 ILE CB 1 1 19 22955 1 1 67 ILE CD1 C 3.611 -10.835 -2.012 1.00 . A A . 67 ILE CD1 1 1 19 22956 1 1 67 ILE CG1 C 4.990 -10.577 -1.394 1.00 . A A . 67 ILE CG1 1 1 19 22957 1 1 67 ILE CG2 C 5.871 -12.951 -1.454 1.00 . A A . 67 ILE CG2 1 1 19 22958 1 1 67 ILE H H 4.876 -10.175 1.339 1.00 . A A . 67 ILE H 1 1 19 22959 1 1 67 ILE HA H 3.713 -12.586 0.143 1.00 . A A . 67 ILE HA 1 1 19 22960 1 1 67 ILE HB H 6.496 -11.397 -0.127 1.00 . A A . 67 ILE HB 1 1 19 22961 1 1 67 ILE HD11 H 3.630 -11.719 -2.648 1.00 . A A . 67 ILE HD11 1 1 19 22962 1 1 67 ILE HD12 H 2.859 -10.959 -1.232 1.00 . A A . 67 ILE HD12 1 1 19 22963 1 1 67 ILE HD13 H 3.332 -9.975 -2.621 1.00 . A A . 67 ILE HD13 1 1 19 22964 1 1 67 ILE HG12 H 4.910 -9.683 -0.775 1.00 . A A . 67 ILE HG12 1 1 19 22965 1 1 67 ILE HG13 H 5.690 -10.360 -2.201 1.00 . A A . 67 ILE HG13 1 1 19 22966 1 1 67 ILE HG21 H 6.419 -13.706 -0.890 1.00 . A A . 67 ILE HG21 1 1 19 22967 1 1 67 ILE HG22 H 4.954 -13.401 -1.834 1.00 . A A . 67 ILE HG22 1 1 19 22968 1 1 67 ILE HG23 H 6.491 -12.636 -2.293 1.00 . A A . 67 ILE HG23 1 1 19 22969 1 1 67 ILE N N 4.247 -10.975 1.360 1.00 . A A . 67 ILE N 1 1 19 22970 1 1 67 ILE O O 6.422 -13.232 1.736 1.00 . A A . 67 ILE O 1 1 19 22971 1 1 68 LYS C C 3.955 -16.232 2.980 1.00 . A A . 68 LYS C 1 1 19 22972 1 1 68 LYS CA C 4.697 -14.927 3.223 1.00 . A A . 68 LYS CA 1 1 19 22973 1 1 68 LYS CB C 4.405 -14.375 4.627 1.00 . A A . 68 LYS CB 1 1 19 22974 1 1 68 LYS CD C 3.311 -16.095 6.208 1.00 . A A . 68 LYS CD 1 1 19 22975 1 1 68 LYS CE C 3.326 -17.635 6.181 1.00 . A A . 68 LYS CE 1 1 19 22976 1 1 68 LYS CG C 4.619 -15.419 5.741 1.00 . A A . 68 LYS CG 1 1 19 22977 1 1 68 LYS H H 3.348 -13.787 2.082 1.00 . A A . 68 LYS H 1 1 19 22978 1 1 68 LYS HA H 5.760 -15.136 3.147 1.00 . A A . 68 LYS HA 1 1 19 22979 1 1 68 LYS HB2 H 5.097 -13.552 4.794 1.00 . A A . 68 LYS HB2 1 1 19 22980 1 1 68 LYS HB3 H 3.392 -13.970 4.667 1.00 . A A . 68 LYS HB3 1 1 19 22981 1 1 68 LYS HD2 H 3.135 -15.783 7.238 1.00 . A A . 68 LYS HD2 1 1 19 22982 1 1 68 LYS HD3 H 2.462 -15.739 5.620 1.00 . A A . 68 LYS HD3 1 1 19 22983 1 1 68 LYS HE2 H 4.240 -18.016 6.644 1.00 . A A . 68 LYS HE2 1 1 19 22984 1 1 68 LYS HE3 H 2.473 -17.984 6.766 1.00 . A A . 68 LYS HE3 1 1 19 22985 1 1 68 LYS HG2 H 5.359 -16.152 5.416 1.00 . A A . 68 LYS HG2 1 1 19 22986 1 1 68 LYS HG3 H 5.045 -14.887 6.595 1.00 . A A . 68 LYS HG3 1 1 19 22987 1 1 68 LYS HZ1 H 2.881 -19.139 4.786 1.00 . A A . 68 LYS HZ1 1 1 19 22988 1 1 68 LYS HZ2 H 2.569 -17.586 4.249 1.00 . A A . 68 LYS HZ2 1 1 19 22989 1 1 68 LYS HZ3 H 4.051 -18.086 4.280 1.00 . A A . 68 LYS HZ3 1 1 19 22990 1 1 68 LYS N N 4.337 -13.942 2.223 1.00 . A A . 68 LYS N 1 1 19 22991 1 1 68 LYS NZ N 3.184 -18.179 4.814 1.00 . A A . 68 LYS NZ 1 1 19 22992 1 1 68 LYS O O 2.710 -16.259 3.110 1.00 . A A . 68 LYS O 1 1 19 22993 1 1 68 LYS OXT O 4.640 -17.277 2.911 1.00 . A A . 68 LYS OXT 1 1 19 22994 2 2 1 HEC C1A C 7.647 7.593 -3.807 1.00 . B A . 69 HEC C1A 1 1 19 22995 2 2 1 HEC C1B C 5.347 8.731 -7.234 1.00 . B A . 69 HEC C1B 1 1 19 22996 2 2 1 HEC C1C C 2.134 6.263 -5.911 1.00 . B A . 69 HEC C1C 1 1 19 22997 2 2 1 HEC C1D C 4.283 5.472 -2.330 1.00 . B A . 69 HEC C1D 1 1 19 22998 2 2 1 HEC C2A C 8.786 8.436 -4.090 1.00 . B A . 69 HEC C2A 1 1 19 22999 2 2 1 HEC C2B C 4.728 9.166 -8.462 1.00 . B A . 69 HEC C2B 1 1 19 23000 2 2 1 HEC C2C C 0.882 5.676 -5.490 1.00 . B A . 69 HEC C2C 1 1 19 23001 2 2 1 HEC C2D C 4.905 5.012 -1.117 1.00 . B A . 69 HEC C2D 1 1 19 23002 2 2 1 HEC C3A C 8.469 9.169 -5.204 1.00 . B A . 69 HEC C3A 1 1 19 23003 2 2 1 HEC C3B C 3.504 8.544 -8.546 1.00 . B A . 69 HEC C3B 1 1 19 23004 2 2 1 HEC C3C C 1.054 5.223 -4.201 1.00 . B A . 69 HEC C3C 1 1 19 23005 2 2 1 HEC C3D C 6.191 5.473 -1.123 1.00 . B A . 69 HEC C3D 1 1 19 23006 2 2 1 HEC C4A C 7.173 8.720 -5.658 1.00 . B A . 69 HEC C4A 1 1 19 23007 2 2 1 HEC C4B C 3.446 7.583 -7.459 1.00 . B A . 69 HEC C4B 1 1 19 23008 2 2 1 HEC C4C C 2.421 5.528 -3.838 1.00 . B A . 69 HEC C4C 1 1 19 23009 2 2 1 HEC C4D C 6.372 6.176 -2.366 1.00 . B A . 69 HEC C4D 1 1 19 23010 2 2 1 HEC CAA C 10.112 8.467 -3.353 1.00 . B A . 69 HEC CAA 1 1 19 23011 2 2 1 HEC CAB C 2.288 9.109 -9.261 1.00 . B A . 69 HEC CAB 1 1 19 23012 2 2 1 HEC CAC C -0.014 4.640 -3.284 1.00 . B A . 69 HEC CAC 1 1 19 23013 2 2 1 HEC CAD C 7.146 5.460 0.041 1.00 . B A . 69 HEC CAD 1 1 19 23014 2 2 1 HEC CBA C 11.326 8.218 -4.262 1.00 . B A . 69 HEC CBA 1 1 19 23015 2 2 1 HEC CBB C 2.486 9.540 -10.720 1.00 . B A . 69 HEC CBB 1 1 19 23016 2 2 1 HEC CBC C -0.646 3.330 -3.772 1.00 . B A . 69 HEC CBC 1 1 19 23017 2 2 1 HEC CBD C 8.043 4.229 0.158 1.00 . B A . 69 HEC CBD 1 1 19 23018 2 2 1 HEC CGA C 11.040 7.152 -5.328 1.00 . B A . 69 HEC CGA 1 1 19 23019 2 2 1 HEC CGD C 9.030 4.430 1.308 1.00 . B A . 69 HEC CGD 1 1 19 23020 2 2 1 HEC CHA C 7.531 6.811 -2.682 1.00 . B A . 69 HEC CHA 1 1 19 23021 2 2 1 HEC CHB C 6.554 9.209 -6.779 1.00 . B A . 69 HEC CHB 1 1 19 23022 2 2 1 HEC CHC C 2.314 6.859 -7.139 1.00 . B A . 69 HEC CHC 1 1 19 23023 2 2 1 HEC CHD C 2.985 5.192 -2.629 1.00 . B A . 69 HEC CHD 1 1 19 23024 2 2 1 HEC CMA C 9.331 10.242 -5.828 1.00 . B A . 69 HEC CMA 1 1 19 23025 2 2 1 HEC CMB C 5.292 10.166 -9.449 1.00 . B A . 69 HEC CMB 1 1 19 23026 2 2 1 HEC CMC C -0.392 5.660 -6.300 1.00 . B A . 69 HEC CMC 1 1 19 23027 2 2 1 HEC CMD C 4.265 4.132 -0.080 1.00 . B A . 69 HEC CMD 1 1 19 23028 2 2 1 HEC FE FE 4.879 6.886 -4.873 1.00 . B A . 69 HEC FE 1 1 19 23029 2 2 1 HEC HAA1 H 10.227 9.420 -2.839 1.00 . B A . 69 HEC HAA1 1 1 19 23030 2 2 1 HEC HAA2 H 10.140 7.663 -2.623 1.00 . B A . 69 HEC HAA2 1 1 19 23031 2 2 1 HEC HAB H 1.499 8.365 -9.287 1.00 . B A . 69 HEC HAB 1 1 19 23032 2 2 1 HEC HAC H 0.415 4.414 -2.313 1.00 . B A . 69 HEC HAC 1 1 19 23033 2 2 1 HEC HAD1 H 7.788 6.329 0.005 1.00 . B A . 69 HEC HAD1 1 1 19 23034 2 2 1 HEC HAD2 H 6.567 5.544 0.947 1.00 . B A . 69 HEC HAD2 1 1 19 23035 2 2 1 HEC HBA1 H 11.607 9.153 -4.747 1.00 . B A . 69 HEC HBA1 1 1 19 23036 2 2 1 HEC HBA2 H 12.168 7.901 -3.644 1.00 . B A . 69 HEC HBA2 1 1 19 23037 2 2 1 HEC HBB1 H 3.034 8.774 -11.268 1.00 . B A . 69 HEC HBB1 1 1 19 23038 2 2 1 HEC HBB2 H 1.514 9.664 -11.197 1.00 . B A . 69 HEC HBB2 1 1 19 23039 2 2 1 HEC HBB3 H 3.005 10.494 -10.781 1.00 . B A . 69 HEC HBB3 1 1 19 23040 2 2 1 HEC HBC1 H 0.117 2.669 -4.183 1.00 . B A . 69 HEC HBC1 1 1 19 23041 2 2 1 HEC HBC2 H -1.129 2.824 -2.937 1.00 . B A . 69 HEC HBC2 1 1 19 23042 2 2 1 HEC HBC3 H -1.406 3.522 -4.525 1.00 . B A . 69 HEC HBC3 1 1 19 23043 2 2 1 HEC HBD1 H 7.430 3.351 0.350 1.00 . B A . 69 HEC HBD1 1 1 19 23044 2 2 1 HEC HBD2 H 8.585 4.093 -0.779 1.00 . B A . 69 HEC HBD2 1 1 19 23045 2 2 1 HEC HHA H 8.330 6.728 -1.972 1.00 . B A . 69 HEC HHA 1 1 19 23046 2 2 1 HEC HHB H 7.028 10.022 -7.290 1.00 . B A . 69 HEC HHB 1 1 19 23047 2 2 1 HEC HHC H 1.478 6.862 -7.809 1.00 . B A . 69 HEC HHC 1 1 19 23048 2 2 1 HEC HHD H 2.422 4.671 -1.882 1.00 . B A . 69 HEC HHD 1 1 19 23049 2 2 1 HEC HMA1 H 8.731 11.024 -6.289 1.00 . B A . 69 HEC HMA1 1 1 19 23050 2 2 1 HEC HMA2 H 9.940 10.708 -5.053 1.00 . B A . 69 HEC HMA2 1 1 19 23051 2 2 1 HEC HMA3 H 9.983 9.785 -6.574 1.00 . B A . 69 HEC HMA3 1 1 19 23052 2 2 1 HEC HMB1 H 4.783 11.121 -9.311 1.00 . B A . 69 HEC HMB1 1 1 19 23053 2 2 1 HEC HMB2 H 6.362 10.310 -9.321 1.00 . B A . 69 HEC HMB2 1 1 19 23054 2 2 1 HEC HMB3 H 5.137 9.805 -10.462 1.00 . B A . 69 HEC HMB3 1 1 19 23055 2 2 1 HEC HMC1 H -0.278 4.958 -7.122 1.00 . B A . 69 HEC HMC1 1 1 19 23056 2 2 1 HEC HMC2 H -1.243 5.367 -5.692 1.00 . B A . 69 HEC HMC2 1 1 19 23057 2 2 1 HEC HMC3 H -0.592 6.658 -6.685 1.00 . B A . 69 HEC HMC3 1 1 19 23058 2 2 1 HEC HMD1 H 5.009 3.746 0.614 1.00 . B A . 69 HEC HMD1 1 1 19 23059 2 2 1 HEC HMD2 H 3.502 4.685 0.460 1.00 . B A . 69 HEC HMD2 1 1 19 23060 2 2 1 HEC HMD3 H 3.794 3.300 -0.598 1.00 . B A . 69 HEC HMD3 1 1 19 23061 2 2 1 HEC NA N 6.717 7.763 -4.810 1.00 . B A . 69 HEC NA 1 1 19 23062 2 2 1 HEC NB N 4.596 7.714 -6.714 1.00 . B A . 69 HEC NB 1 1 19 23063 2 2 1 HEC NC N 3.018 6.167 -4.887 1.00 . B A . 69 HEC NC 1 1 19 23064 2 2 1 HEC ND N 5.201 6.153 -3.051 1.00 . B A . 69 HEC ND 1 1 19 23065 2 2 1 HEC O1A O 10.421 6.126 -4.963 1.00 . B A . 69 HEC O1A 1 1 19 23066 2 2 1 HEC O1D O 8.718 5.163 2.272 1.00 . B A . 69 HEC O1D 1 1 19 23067 2 2 1 HEC O2A O 11.378 7.418 -6.502 1.00 . B A . 69 HEC O2A 1 1 19 23068 2 2 1 HEC O2D O 10.197 3.989 1.225 1.00 . B A . 69 HEC O2D 1 1 19 23069 3 2 1 HEC C1A C -3.398 -4.278 -4.597 1.00 . C A . 70 HEC C1A 1 1 19 23070 3 2 1 HEC C1B C -1.227 -2.197 -1.576 1.00 . C A . 70 HEC C1B 1 1 19 23071 3 2 1 HEC C1C C -3.735 1.238 -2.188 1.00 . C A . 70 HEC C1C 1 1 19 23072 3 2 1 HEC C1D C -5.934 -0.862 -5.128 1.00 . C A . 70 HEC C1D 1 1 19 23073 3 2 1 HEC C2A C -2.797 -5.575 -4.375 1.00 . C A . 70 HEC C2A 1 1 19 23074 3 2 1 HEC C2B C -0.493 -1.652 -0.462 1.00 . C A . 70 HEC C2B 1 1 19 23075 3 2 1 HEC C2C C -4.468 2.478 -2.274 1.00 . C A . 70 HEC C2C 1 1 19 23076 3 2 1 HEC C2D C -6.720 -1.419 -6.199 1.00 . C A . 70 HEC C2D 1 1 19 23077 3 2 1 HEC C3A C -1.820 -5.403 -3.420 1.00 . C A . 70 HEC C3A 1 1 19 23078 3 2 1 HEC C3B C -0.961 -0.374 -0.255 1.00 . C A . 70 HEC C3B 1 1 19 23079 3 2 1 HEC C3C C -5.571 2.235 -3.060 1.00 . C A . 70 HEC C3C 1 1 19 23080 3 2 1 HEC C3D C -6.099 -2.578 -6.588 1.00 . C A . 70 HEC C3D 1 1 19 23081 3 2 1 HEC C4A C -1.873 -4.027 -2.996 1.00 . C A . 70 HEC C4A 1 1 19 23082 3 2 1 HEC C4B C -1.962 -0.123 -1.270 1.00 . C A . 70 HEC C4B 1 1 19 23083 3 2 1 HEC C4C C -5.345 0.940 -3.667 1.00 . C A . 70 HEC C4C 1 1 19 23084 3 2 1 HEC C4D C -5.102 -2.872 -5.580 1.00 . C A . 70 HEC C4D 1 1 19 23085 3 2 1 HEC CAA C -3.373 -6.898 -4.848 1.00 . C A . 70 HEC CAA 1 1 19 23086 3 2 1 HEC CAB C -0.673 0.519 0.940 1.00 . C A . 70 HEC CAB 1 1 19 23087 3 2 1 HEC CAC C -6.872 3.031 -3.144 1.00 . C A . 70 HEC CAC 1 1 19 23088 3 2 1 HEC CAD C -6.110 -3.115 -8.004 1.00 . C A . 70 HEC CAD 1 1 19 23089 3 2 1 HEC CBA C -4.600 -7.300 -4.010 1.00 . C A . 70 HEC CBA 1 1 19 23090 3 2 1 HEC CBB C 0.749 1.077 0.979 1.00 . C A . 70 HEC CBB 1 1 19 23091 3 2 1 HEC CBC C -6.999 3.901 -4.389 1.00 . C A . 70 HEC CBC 1 1 19 23092 3 2 1 HEC CBD C -5.331 -2.150 -8.911 1.00 . C A . 70 HEC CBD 1 1 19 23093 3 2 1 HEC CGA C -5.186 -8.676 -4.361 1.00 . C A . 70 HEC CGA 1 1 19 23094 3 2 1 HEC CGD C -5.196 -2.602 -10.366 1.00 . C A . 70 HEC CGD 1 1 19 23095 3 2 1 HEC CHA C -4.390 -4.049 -5.526 1.00 . C A . 70 HEC CHA 1 1 19 23096 3 2 1 HEC CHB C -1.088 -3.503 -1.990 1.00 . C A . 70 HEC CHB 1 1 19 23097 3 2 1 HEC CHC C -2.680 1.052 -1.341 1.00 . C A . 70 HEC CHC 1 1 19 23098 3 2 1 HEC CHD C -6.190 0.372 -4.587 1.00 . C A . 70 HEC CHD 1 1 19 23099 3 2 1 HEC CMA C -0.906 -6.457 -2.840 1.00 . C A . 70 HEC CMA 1 1 19 23100 3 2 1 HEC CMB C 0.443 -2.449 0.422 1.00 . C A . 70 HEC CMB 1 1 19 23101 3 2 1 HEC CMC C -4.049 3.789 -1.646 1.00 . C A . 70 HEC CMC 1 1 19 23102 3 2 1 HEC CMD C -7.901 -0.771 -6.883 1.00 . C A . 70 HEC CMD 1 1 19 23103 3 2 1 HEC FE FE -3.465 -1.518 -3.411 1.00 . C A . 70 HEC FE 1 1 19 23104 3 2 1 HEC HAA1 H -3.668 -6.841 -5.894 1.00 . C A . 70 HEC HAA1 1 1 19 23105 3 2 1 HEC HAA2 H -2.637 -7.696 -4.776 1.00 . C A . 70 HEC HAA2 1 1 19 23106 3 2 1 HEC HAB H -1.315 1.391 0.947 1.00 . C A . 70 HEC HAB 1 1 19 23107 3 2 1 HEC HAC H -7.686 2.311 -3.190 1.00 . C A . 70 HEC HAC 1 1 19 23108 3 2 1 HEC HAD1 H -5.640 -4.094 -8.059 1.00 . C A . 70 HEC HAD1 1 1 19 23109 3 2 1 HEC HAD2 H -7.131 -3.204 -8.375 1.00 . C A . 70 HEC HAD2 1 1 19 23110 3 2 1 HEC HBA1 H -4.314 -7.303 -2.957 1.00 . C A . 70 HEC HBA1 1 1 19 23111 3 2 1 HEC HBA2 H -5.375 -6.545 -4.152 1.00 . C A . 70 HEC HBA2 1 1 19 23112 3 2 1 HEC HBB1 H 1.495 0.298 1.109 1.00 . C A . 70 HEC HBB1 1 1 19 23113 3 2 1 HEC HBB2 H 0.962 1.625 0.060 1.00 . C A . 70 HEC HBB2 1 1 19 23114 3 2 1 HEC HBB3 H 0.806 1.765 1.819 1.00 . C A . 70 HEC HBB3 1 1 19 23115 3 2 1 HEC HBC1 H -6.836 3.292 -5.273 1.00 . C A . 70 HEC HBC1 1 1 19 23116 3 2 1 HEC HBC2 H -7.999 4.334 -4.438 1.00 . C A . 70 HEC HBC2 1 1 19 23117 3 2 1 HEC HBC3 H -6.271 4.709 -4.341 1.00 . C A . 70 HEC HBC3 1 1 19 23118 3 2 1 HEC HBD1 H -5.822 -1.176 -8.904 1.00 . C A . 70 HEC HBD1 1 1 19 23119 3 2 1 HEC HBD2 H -4.330 -2.022 -8.492 1.00 . C A . 70 HEC HBD2 1 1 19 23120 3 2 1 HEC HHA H -4.667 -4.847 -6.187 1.00 . C A . 70 HEC HHA 1 1 19 23121 3 2 1 HEC HHB H -0.389 -4.140 -1.467 1.00 . C A . 70 HEC HHB 1 1 19 23122 3 2 1 HEC HHC H -2.476 1.835 -0.641 1.00 . C A . 70 HEC HHC 1 1 19 23123 3 2 1 HEC HHD H -7.059 0.912 -4.918 1.00 . C A . 70 HEC HHD 1 1 19 23124 3 2 1 HEC HMA1 H -1.066 -6.503 -1.764 1.00 . C A . 70 HEC HMA1 1 1 19 23125 3 2 1 HEC HMA2 H -1.112 -7.443 -3.250 1.00 . C A . 70 HEC HMA2 1 1 19 23126 3 2 1 HEC HMA3 H 0.132 -6.197 -3.044 1.00 . C A . 70 HEC HMA3 1 1 19 23127 3 2 1 HEC HMB1 H 0.946 -1.812 1.141 1.00 . C A . 70 HEC HMB1 1 1 19 23128 3 2 1 HEC HMB2 H -0.148 -3.186 0.963 1.00 . C A . 70 HEC HMB2 1 1 19 23129 3 2 1 HEC HMB3 H 1.187 -2.968 -0.179 1.00 . C A . 70 HEC HMB3 1 1 19 23130 3 2 1 HEC HMC1 H -4.504 4.625 -2.176 1.00 . C A . 70 HEC HMC1 1 1 19 23131 3 2 1 HEC HMC2 H -4.336 3.821 -0.597 1.00 . C A . 70 HEC HMC2 1 1 19 23132 3 2 1 HEC HMC3 H -2.970 3.902 -1.718 1.00 . C A . 70 HEC HMC3 1 1 19 23133 3 2 1 HEC HMD1 H -7.547 0.015 -7.548 1.00 . C A . 70 HEC HMD1 1 1 19 23134 3 2 1 HEC HMD2 H -8.445 -1.510 -7.470 1.00 . C A . 70 HEC HMD2 1 1 19 23135 3 2 1 HEC HMD3 H -8.583 -0.351 -6.144 1.00 . C A . 70 HEC HMD3 1 1 19 23136 3 2 1 HEC NA N -2.848 -3.400 -3.703 1.00 . C A . 70 HEC NA 1 1 19 23137 3 2 1 HEC NB N -2.094 -1.249 -2.025 1.00 . C A . 70 HEC NB 1 1 19 23138 3 2 1 HEC NC N -4.248 0.371 -3.081 1.00 . C A . 70 HEC NC 1 1 19 23139 3 2 1 HEC ND N -4.978 -1.773 -4.782 1.00 . C A . 70 HEC ND 1 1 19 23140 3 2 1 HEC O1A O -6.021 -9.163 -3.559 1.00 . C A . 70 HEC O1A 1 1 19 23141 3 2 1 HEC O1D O -6.191 -2.569 -11.127 1.00 . C A . 70 HEC O1D 1 1 19 23142 3 2 1 HEC O2A O -4.808 -9.211 -5.425 1.00 . C A . 70 HEC O2A 1 1 19 23143 3 2 1 HEC O2D O -4.060 -2.887 -10.809 1.00 . C A . 70 HEC O2D 1 1 19 23144 4 2 1 HEC C1A C 3.282 -5.325 9.351 1.00 . D A . 71 HEC C1A 1 1 19 23145 4 2 1 HEC C1B C 0.273 -8.353 9.691 1.00 . D A . 71 HEC C1B 1 1 19 23146 4 2 1 HEC C1C C -1.487 -7.026 6.044 1.00 . D A . 71 HEC C1C 1 1 19 23147 4 2 1 HEC C1D C 1.547 -4.070 5.638 1.00 . D A . 71 HEC C1D 1 1 19 23148 4 2 1 HEC C2A C 4.052 -5.743 10.508 1.00 . D A . 71 HEC C2A 1 1 19 23149 4 2 1 HEC C2B C -0.692 -9.390 9.970 1.00 . D A . 71 HEC C2B 1 1 19 23150 4 2 1 HEC C2C C -2.145 -6.778 4.786 1.00 . D A . 71 HEC C2C 1 1 19 23151 4 2 1 HEC C2D C 2.495 -3.026 5.344 1.00 . D A . 71 HEC C2D 1 1 19 23152 4 2 1 HEC C3A C 3.348 -6.759 11.105 1.00 . D A . 71 HEC C3A 1 1 19 23153 4 2 1 HEC C3B C -1.664 -9.312 9.001 1.00 . D A . 71 HEC C3B 1 1 19 23154 4 2 1 HEC C3C C -1.514 -5.702 4.210 1.00 . D A . 71 HEC C3C 1 1 19 23155 4 2 1 HEC C3D C 3.391 -2.966 6.381 1.00 . D A . 71 HEC C3D 1 1 19 23156 4 2 1 HEC C4A C 2.241 -7.080 10.242 1.00 . D A . 71 HEC C4A 1 1 19 23157 4 2 1 HEC C4B C -1.217 -8.312 8.053 1.00 . D A . 71 HEC C4B 1 1 19 23158 4 2 1 HEC C4C C -0.386 -5.383 5.065 1.00 . D A . 71 HEC C4C 1 1 19 23159 4 2 1 HEC C4D C 2.990 -3.992 7.336 1.00 . D A . 71 HEC C4D 1 1 19 23160 4 2 1 HEC CAA C 5.503 -5.426 10.819 1.00 . D A . 71 HEC CAA 1 1 19 23161 4 2 1 HEC CAB C -3.033 -9.985 9.026 1.00 . D A . 71 HEC CAB 1 1 19 23162 4 2 1 HEC CAC C -1.926 -4.983 2.930 1.00 . D A . 71 HEC CAC 1 1 19 23163 4 2 1 HEC CAD C 4.540 -1.963 6.392 1.00 . D A . 71 HEC CAD 1 1 19 23164 4 2 1 HEC CBA C 6.371 -6.622 10.406 1.00 . D A . 71 HEC CBA 1 1 19 23165 4 2 1 HEC CBB C -3.823 -9.697 10.306 1.00 . D A . 71 HEC CBB 1 1 19 23166 4 2 1 HEC CBC C -3.367 -4.467 2.943 1.00 . D A . 71 HEC CBC 1 1 19 23167 4 2 1 HEC CBD C 5.834 -2.271 7.151 1.00 . D A . 71 HEC CBD 1 1 19 23168 4 2 1 HEC CGA C 7.848 -6.572 10.797 1.00 . D A . 71 HEC CGA 1 1 19 23169 4 2 1 HEC CGD C 6.354 -3.677 6.857 1.00 . D A . 71 HEC CGD 1 1 19 23170 4 2 1 HEC CHA C 3.643 -4.298 8.511 1.00 . D A . 71 HEC CHA 1 1 19 23171 4 2 1 HEC CHB C 1.351 -8.094 10.510 1.00 . D A . 71 HEC CHB 1 1 19 23172 4 2 1 HEC CHC C -1.887 -8.021 6.887 1.00 . D A . 71 HEC CHC 1 1 19 23173 4 2 1 HEC CHD C 0.527 -4.402 4.777 1.00 . D A . 71 HEC CHD 1 1 19 23174 4 2 1 HEC CMA C 3.691 -7.448 12.405 1.00 . D A . 71 HEC CMA 1 1 19 23175 4 2 1 HEC CMB C -0.627 -10.362 11.127 1.00 . D A . 71 HEC CMB 1 1 19 23176 4 2 1 HEC CMC C -3.258 -7.626 4.206 1.00 . D A . 71 HEC CMC 1 1 19 23177 4 2 1 HEC CMD C 2.558 -2.188 4.087 1.00 . D A . 71 HEC CMD 1 1 19 23178 4 2 1 HEC FE FE 0.896 -6.172 7.749 1.00 . D A . 71 HEC FE 1 1 19 23179 4 2 1 HEC HAA1 H 5.868 -4.557 10.274 1.00 . D A . 71 HEC HAA1 1 1 19 23180 4 2 1 HEC HAA2 H 5.643 -5.241 11.882 1.00 . D A . 71 HEC HAA2 1 1 19 23181 4 2 1 HEC HAB H -3.656 -9.597 8.227 1.00 . D A . 71 HEC HAB 1 1 19 23182 4 2 1 HEC HAC H -1.319 -4.096 2.788 1.00 . D A . 71 HEC HAC 1 1 19 23183 4 2 1 HEC HAD1 H 4.878 -1.868 5.360 1.00 . D A . 71 HEC HAD1 1 1 19 23184 4 2 1 HEC HAD2 H 4.167 -0.993 6.712 1.00 . D A . 71 HEC HAD2 1 1 19 23185 4 2 1 HEC HBA1 H 5.963 -7.500 10.897 1.00 . D A . 71 HEC HBA1 1 1 19 23186 4 2 1 HEC HBA2 H 6.287 -6.742 9.327 1.00 . D A . 71 HEC HBA2 1 1 19 23187 4 2 1 HEC HBB1 H -3.337 -10.132 11.177 1.00 . D A . 71 HEC HBB1 1 1 19 23188 4 2 1 HEC HBB2 H -3.908 -8.619 10.448 1.00 . D A . 71 HEC HBB2 1 1 19 23189 4 2 1 HEC HBB3 H -4.823 -10.125 10.218 1.00 . D A . 71 HEC HBB3 1 1 19 23190 4 2 1 HEC HBC1 H -3.504 -3.817 3.807 1.00 . D A . 71 HEC HBC1 1 1 19 23191 4 2 1 HEC HBC2 H -3.548 -3.893 2.035 1.00 . D A . 71 HEC HBC2 1 1 19 23192 4 2 1 HEC HBC3 H -4.085 -5.285 2.990 1.00 . D A . 71 HEC HBC3 1 1 19 23193 4 2 1 HEC HBD1 H 6.588 -1.555 6.823 1.00 . D A . 71 HEC HBD1 1 1 19 23194 4 2 1 HEC HBD2 H 5.688 -2.104 8.219 1.00 . D A . 71 HEC HBD2 1 1 19 23195 4 2 1 HEC HHA H 4.524 -3.756 8.765 1.00 . D A . 71 HEC HHA 1 1 19 23196 4 2 1 HEC HHB H 1.487 -8.679 11.398 1.00 . D A . 71 HEC HHB 1 1 19 23197 4 2 1 HEC HHC H -2.724 -8.614 6.586 1.00 . D A . 71 HEC HHC 1 1 19 23198 4 2 1 HEC HHD H 0.463 -3.894 3.832 1.00 . D A . 71 HEC HHD 1 1 19 23199 4 2 1 HEC HMA1 H 4.009 -8.468 12.196 1.00 . D A . 71 HEC HMA1 1 1 19 23200 4 2 1 HEC HMA2 H 4.504 -6.927 12.908 1.00 . D A . 71 HEC HMA2 1 1 19 23201 4 2 1 HEC HMA3 H 2.821 -7.453 13.060 1.00 . D A . 71 HEC HMA3 1 1 19 23202 4 2 1 HEC HMB1 H -0.903 -9.847 12.048 1.00 . D A . 71 HEC HMB1 1 1 19 23203 4 2 1 HEC HMB2 H -1.301 -11.199 10.962 1.00 . D A . 71 HEC HMB2 1 1 19 23204 4 2 1 HEC HMB3 H 0.383 -10.755 11.214 1.00 . D A . 71 HEC HMB3 1 1 19 23205 4 2 1 HEC HMC1 H -4.182 -7.433 4.747 1.00 . D A . 71 HEC HMC1 1 1 19 23206 4 2 1 HEC HMC2 H -3.403 -7.413 3.149 1.00 . D A . 71 HEC HMC2 1 1 19 23207 4 2 1 HEC HMC3 H -2.994 -8.681 4.299 1.00 . D A . 71 HEC HMC3 1 1 19 23208 4 2 1 HEC HMD1 H 3.007 -1.227 4.307 1.00 . D A . 71 HEC HMD1 1 1 19 23209 4 2 1 HEC HMD2 H 3.192 -2.694 3.367 1.00 . D A . 71 HEC HMD2 1 1 19 23210 4 2 1 HEC HMD3 H 1.574 -2.010 3.660 1.00 . D A . 71 HEC HMD3 1 1 19 23211 4 2 1 HEC NA N 2.222 -6.186 9.228 1.00 . D A . 71 HEC NA 1 1 19 23212 4 2 1 HEC NB N -0.083 -7.735 8.542 1.00 . D A . 71 HEC NB 1 1 19 23213 4 2 1 HEC NC N -0.438 -6.192 6.167 1.00 . D A . 71 HEC NC 1 1 19 23214 4 2 1 HEC ND N 1.867 -4.612 6.846 1.00 . D A . 71 HEC ND 1 1 19 23215 4 2 1 HEC O1A O 8.586 -7.454 10.286 1.00 . D A . 71 HEC O1A 1 1 19 23216 4 2 1 HEC O1D O 6.596 -4.406 7.840 1.00 . D A . 71 HEC O1D 1 1 19 23217 4 2 1 HEC O2A O 8.201 -5.726 11.648 1.00 . D A . 71 HEC O2A 1 1 19 23218 4 2 1 HEC O2D O 6.459 -4.028 5.662 1.00 . D A . 71 HEC O2D 1 1 20 23219 1 1 1 ALA C C 9.449 2.039 -8.593 1.00 . A A . 1 ALA C 1 1 20 23220 1 1 1 ALA CA C 10.929 1.770 -8.326 1.00 . A A . 1 ALA CA 1 1 20 23221 1 1 1 ALA CB C 11.819 2.535 -9.313 1.00 . A A . 1 ALA CB 1 1 20 23222 1 1 1 ALA H1 H 10.815 -0.072 -9.280 1.00 . A A . 1 ALA H1 1 1 20 23223 1 1 1 ALA H2 H 12.162 0.103 -8.325 1.00 . A A . 1 ALA H2 1 1 20 23224 1 1 1 ALA H3 H 10.681 -0.148 -7.650 1.00 . A A . 1 ALA H3 1 1 20 23225 1 1 1 ALA HA H 11.167 2.109 -7.316 1.00 . A A . 1 ALA HA 1 1 20 23226 1 1 1 ALA HB1 H 12.869 2.386 -9.057 1.00 . A A . 1 ALA HB1 1 1 20 23227 1 1 1 ALA HB2 H 11.652 2.188 -10.334 1.00 . A A . 1 ALA HB2 1 1 20 23228 1 1 1 ALA HB3 H 11.592 3.601 -9.260 1.00 . A A . 1 ALA HB3 1 1 20 23229 1 1 1 ALA N N 11.181 0.315 -8.405 1.00 . A A . 1 ALA N 1 1 20 23230 1 1 1 ALA O O 8.717 2.546 -7.744 1.00 . A A . 1 ALA O 1 1 20 23231 1 1 2 ASP C C 7.202 0.160 -8.958 1.00 . A A . 2 ASP C 1 1 20 23232 1 1 2 ASP CA C 7.732 1.057 -10.072 1.00 . A A . 2 ASP CA 1 1 20 23233 1 1 2 ASP CB C 7.865 0.253 -11.382 1.00 . A A . 2 ASP CB 1 1 20 23234 1 1 2 ASP CG C 8.934 -0.850 -11.329 1.00 . A A . 2 ASP CG 1 1 20 23235 1 1 2 ASP H H 9.685 1.186 -10.424 1.00 . A A . 2 ASP H 1 1 20 23236 1 1 2 ASP HA H 7.078 1.917 -10.150 1.00 . A A . 2 ASP HA 1 1 20 23237 1 1 2 ASP HB2 H 6.907 -0.220 -11.603 1.00 . A A . 2 ASP HB2 1 1 20 23238 1 1 2 ASP HB3 H 8.110 0.927 -12.203 1.00 . A A . 2 ASP HB3 1 1 20 23239 1 1 2 ASP N N 9.027 1.603 -9.780 1.00 . A A . 2 ASP N 1 1 20 23240 1 1 2 ASP O O 6.068 0.340 -8.544 1.00 . A A . 2 ASP O 1 1 20 23241 1 1 2 ASP OD1 O 9.860 -0.717 -10.481 1.00 . A A . 2 ASP OD1 1 1 20 23242 1 1 2 ASP OD2 O 8.817 -1.797 -12.127 1.00 . A A . 2 ASP OD2 1 1 20 23243 1 1 3 VAL C C 8.681 -1.361 -6.220 1.00 . A A . 3 VAL C 1 1 20 23244 1 1 3 VAL CA C 7.701 -1.656 -7.356 1.00 . A A . 3 VAL CA 1 1 20 23245 1 1 3 VAL CB C 7.723 -3.127 -7.815 1.00 . A A . 3 VAL CB 1 1 20 23246 1 1 3 VAL CG1 C 9.115 -3.597 -8.262 1.00 . A A . 3 VAL CG1 1 1 20 23247 1 1 3 VAL CG2 C 7.195 -4.070 -6.729 1.00 . A A . 3 VAL CG2 1 1 20 23248 1 1 3 VAL H H 8.871 -0.949 -9.006 1.00 . A A . 3 VAL H 1 1 20 23249 1 1 3 VAL HA H 6.701 -1.429 -6.991 1.00 . A A . 3 VAL HA 1 1 20 23250 1 1 3 VAL HB H 7.050 -3.215 -8.671 1.00 . A A . 3 VAL HB 1 1 20 23251 1 1 3 VAL HG11 H 9.490 -2.972 -9.070 1.00 . A A . 3 VAL HG11 1 1 20 23252 1 1 3 VAL HG12 H 9.816 -3.570 -7.428 1.00 . A A . 3 VAL HG12 1 1 20 23253 1 1 3 VAL HG13 H 9.049 -4.622 -8.626 1.00 . A A . 3 VAL HG13 1 1 20 23254 1 1 3 VAL HG21 H 7.161 -5.090 -7.114 1.00 . A A . 3 VAL HG21 1 1 20 23255 1 1 3 VAL HG22 H 7.842 -4.048 -5.853 1.00 . A A . 3 VAL HG22 1 1 20 23256 1 1 3 VAL HG23 H 6.186 -3.777 -6.442 1.00 . A A . 3 VAL HG23 1 1 20 23257 1 1 3 VAL N N 8.009 -0.792 -8.489 1.00 . A A . 3 VAL N 1 1 20 23258 1 1 3 VAL O O 9.835 -1.011 -6.488 1.00 . A A . 3 VAL O 1 1 20 23259 1 1 4 VAL C C 8.621 -2.598 -2.867 1.00 . A A . 4 VAL C 1 1 20 23260 1 1 4 VAL CA C 9.081 -1.469 -3.780 1.00 . A A . 4 VAL CA 1 1 20 23261 1 1 4 VAL CB C 8.997 -0.102 -3.077 1.00 . A A . 4 VAL CB 1 1 20 23262 1 1 4 VAL CG1 C 9.686 -0.079 -1.697 1.00 . A A . 4 VAL CG1 1 1 20 23263 1 1 4 VAL CG2 C 9.645 0.987 -3.929 1.00 . A A . 4 VAL CG2 1 1 20 23264 1 1 4 VAL H H 7.263 -1.771 -4.813 1.00 . A A . 4 VAL H 1 1 20 23265 1 1 4 VAL HA H 10.122 -1.657 -4.031 1.00 . A A . 4 VAL HA 1 1 20 23266 1 1 4 VAL HB H 7.947 0.151 -2.968 1.00 . A A . 4 VAL HB 1 1 20 23267 1 1 4 VAL HG11 H 9.691 0.936 -1.301 1.00 . A A . 4 VAL HG11 1 1 20 23268 1 1 4 VAL HG12 H 9.168 -0.710 -0.973 1.00 . A A . 4 VAL HG12 1 1 20 23269 1 1 4 VAL HG13 H 10.716 -0.421 -1.785 1.00 . A A . 4 VAL HG13 1 1 20 23270 1 1 4 VAL HG21 H 9.593 1.935 -3.392 1.00 . A A . 4 VAL HG21 1 1 20 23271 1 1 4 VAL HG22 H 10.689 0.732 -4.109 1.00 . A A . 4 VAL HG22 1 1 20 23272 1 1 4 VAL HG23 H 9.115 1.092 -4.873 1.00 . A A . 4 VAL HG23 1 1 20 23273 1 1 4 VAL N N 8.234 -1.497 -4.969 1.00 . A A . 4 VAL N 1 1 20 23274 1 1 4 VAL O O 7.519 -3.129 -3.033 1.00 . A A . 4 VAL O 1 1 20 23275 1 1 5 THR C C 9.479 -3.041 0.575 1.00 . A A . 5 THR C 1 1 20 23276 1 1 5 THR CA C 9.009 -3.681 -0.730 1.00 . A A . 5 THR CA 1 1 20 23277 1 1 5 THR CB C 9.436 -5.152 -0.830 1.00 . A A . 5 THR CB 1 1 20 23278 1 1 5 THR CG2 C 10.946 -5.353 -0.989 1.00 . A A . 5 THR CG2 1 1 20 23279 1 1 5 THR H H 10.357 -2.497 -1.801 1.00 . A A . 5 THR H 1 1 20 23280 1 1 5 THR HA H 7.927 -3.580 -0.724 1.00 . A A . 5 THR HA 1 1 20 23281 1 1 5 THR HB H 8.934 -5.601 -1.683 1.00 . A A . 5 THR HB 1 1 20 23282 1 1 5 THR HG1 H 8.251 -5.327 0.652 1.00 . A A . 5 THR HG1 1 1 20 23283 1 1 5 THR HG21 H 11.158 -6.421 -1.048 1.00 . A A . 5 THR HG21 1 1 20 23284 1 1 5 THR HG22 H 11.301 -4.875 -1.903 1.00 . A A . 5 THR HG22 1 1 20 23285 1 1 5 THR HG23 H 11.479 -4.939 -0.133 1.00 . A A . 5 THR HG23 1 1 20 23286 1 1 5 THR N N 9.460 -2.952 -1.889 1.00 . A A . 5 THR N 1 1 20 23287 1 1 5 THR O O 10.611 -2.575 0.676 1.00 . A A . 5 THR O 1 1 20 23288 1 1 5 THR OG1 O 9.022 -5.813 0.338 1.00 . A A . 5 THR OG1 1 1 20 23289 1 1 6 TYR C C 9.531 -4.312 3.436 1.00 . A A . 6 TYR C 1 1 20 23290 1 1 6 TYR CA C 8.984 -2.959 2.978 1.00 . A A . 6 TYR CA 1 1 20 23291 1 1 6 TYR CB C 7.800 -2.541 3.857 1.00 . A A . 6 TYR CB 1 1 20 23292 1 1 6 TYR CD1 C 7.524 -0.140 3.104 1.00 . A A . 6 TYR CD1 1 1 20 23293 1 1 6 TYR CD2 C 5.642 -1.665 2.905 1.00 . A A . 6 TYR CD2 1 1 20 23294 1 1 6 TYR CE1 C 6.773 0.856 2.461 1.00 . A A . 6 TYR CE1 1 1 20 23295 1 1 6 TYR CE2 C 4.869 -0.653 2.328 1.00 . A A . 6 TYR CE2 1 1 20 23296 1 1 6 TYR CG C 6.962 -1.412 3.307 1.00 . A A . 6 TYR CG 1 1 20 23297 1 1 6 TYR CZ C 5.439 0.605 2.095 1.00 . A A . 6 TYR CZ 1 1 20 23298 1 1 6 TYR H H 7.672 -3.426 1.368 1.00 . A A . 6 TYR H 1 1 20 23299 1 1 6 TYR HA H 9.746 -2.190 3.075 1.00 . A A . 6 TYR HA 1 1 20 23300 1 1 6 TYR HB2 H 7.149 -3.400 4.015 1.00 . A A . 6 TYR HB2 1 1 20 23301 1 1 6 TYR HB3 H 8.182 -2.241 4.834 1.00 . A A . 6 TYR HB3 1 1 20 23302 1 1 6 TYR HD1 H 8.551 0.053 3.378 1.00 . A A . 6 TYR HD1 1 1 20 23303 1 1 6 TYR HD2 H 5.230 -2.651 2.997 1.00 . A A . 6 TYR HD2 1 1 20 23304 1 1 6 TYR HE1 H 7.254 1.783 2.197 1.00 . A A . 6 TYR HE1 1 1 20 23305 1 1 6 TYR HE2 H 3.895 -0.885 1.929 1.00 . A A . 6 TYR HE2 1 1 20 23306 1 1 6 TYR HH H 5.335 1.977 0.757 1.00 . A A . 6 TYR HH 1 1 20 23307 1 1 6 TYR N N 8.599 -3.073 1.580 1.00 . A A . 6 TYR N 1 1 20 23308 1 1 6 TYR O O 8.764 -5.261 3.628 1.00 . A A . 6 TYR O 1 1 20 23309 1 1 6 TYR OH O 4.745 1.505 1.352 1.00 . A A . 6 TYR OH 1 1 20 23310 1 1 7 GLU C C 11.253 -5.799 5.629 1.00 . A A . 7 GLU C 1 1 20 23311 1 1 7 GLU CA C 11.475 -5.631 4.119 1.00 . A A . 7 GLU CA 1 1 20 23312 1 1 7 GLU CB C 12.937 -5.720 3.702 1.00 . A A . 7 GLU CB 1 1 20 23313 1 1 7 GLU CD C 15.245 -4.700 3.636 1.00 . A A . 7 GLU CD 1 1 20 23314 1 1 7 GLU CG C 13.774 -4.456 3.954 1.00 . A A . 7 GLU CG 1 1 20 23315 1 1 7 GLU H H 11.441 -3.651 3.335 1.00 . A A . 7 GLU H 1 1 20 23316 1 1 7 GLU HA H 10.994 -6.477 3.632 1.00 . A A . 7 GLU HA 1 1 20 23317 1 1 7 GLU HB2 H 13.344 -6.564 4.255 1.00 . A A . 7 GLU HB2 1 1 20 23318 1 1 7 GLU HB3 H 12.962 -5.958 2.641 1.00 . A A . 7 GLU HB3 1 1 20 23319 1 1 7 GLU HG2 H 13.427 -3.633 3.330 1.00 . A A . 7 GLU HG2 1 1 20 23320 1 1 7 GLU HG3 H 13.705 -4.165 5.002 1.00 . A A . 7 GLU HG3 1 1 20 23321 1 1 7 GLU N N 10.850 -4.423 3.602 1.00 . A A . 7 GLU N 1 1 20 23322 1 1 7 GLU O O 12.142 -5.642 6.463 1.00 . A A . 7 GLU O 1 1 20 23323 1 1 7 GLU OE1 O 15.800 -5.660 4.213 1.00 . A A . 7 GLU OE1 1 1 20 23324 1 1 7 GLU OE2 O 15.786 -3.924 2.821 1.00 . A A . 7 GLU OE2 1 1 20 23325 1 1 8 ASN C C 10.064 -7.702 7.828 1.00 . A A . 8 ASN C 1 1 20 23326 1 1 8 ASN CA C 9.547 -6.371 7.323 1.00 . A A . 8 ASN CA 1 1 20 23327 1 1 8 ASN CB C 8.022 -6.403 7.417 1.00 . A A . 8 ASN CB 1 1 20 23328 1 1 8 ASN CG C 7.355 -5.389 6.517 1.00 . A A . 8 ASN CG 1 1 20 23329 1 1 8 ASN H H 9.414 -6.264 5.158 1.00 . A A . 8 ASN H 1 1 20 23330 1 1 8 ASN HA H 9.926 -5.567 7.959 1.00 . A A . 8 ASN HA 1 1 20 23331 1 1 8 ASN HB2 H 7.669 -7.401 7.161 1.00 . A A . 8 ASN HB2 1 1 20 23332 1 1 8 ASN HB3 H 7.721 -6.193 8.442 1.00 . A A . 8 ASN HB3 1 1 20 23333 1 1 8 ASN HD21 H 6.350 -6.867 5.540 1.00 . A A . 8 ASN HD21 1 1 20 23334 1 1 8 ASN HD22 H 6.001 -5.203 5.059 1.00 . A A . 8 ASN HD22 1 1 20 23335 1 1 8 ASN N N 10.019 -6.155 5.957 1.00 . A A . 8 ASN N 1 1 20 23336 1 1 8 ASN ND2 N 6.475 -5.866 5.647 1.00 . A A . 8 ASN ND2 1 1 20 23337 1 1 8 ASN O O 10.506 -8.533 7.032 1.00 . A A . 8 ASN O 1 1 20 23338 1 1 8 ASN OD1 O 7.648 -4.204 6.578 1.00 . A A . 8 ASN OD1 1 1 20 23339 1 1 9 LYS C C 9.440 -10.257 9.702 1.00 . A A . 9 LYS C 1 1 20 23340 1 1 9 LYS CA C 10.489 -9.148 9.724 1.00 . A A . 9 LYS CA 1 1 20 23341 1 1 9 LYS CB C 11.044 -8.867 11.126 1.00 . A A . 9 LYS CB 1 1 20 23342 1 1 9 LYS CD C 13.196 -7.832 10.181 1.00 . A A . 9 LYS CD 1 1 20 23343 1 1 9 LYS CE C 14.174 -6.649 10.217 1.00 . A A . 9 LYS CE 1 1 20 23344 1 1 9 LYS CG C 12.023 -7.679 11.168 1.00 . A A . 9 LYS CG 1 1 20 23345 1 1 9 LYS H H 9.381 -7.330 9.740 1.00 . A A . 9 LYS H 1 1 20 23346 1 1 9 LYS HA H 11.315 -9.503 9.106 1.00 . A A . 9 LYS HA 1 1 20 23347 1 1 9 LYS HB2 H 10.212 -8.655 11.801 1.00 . A A . 9 LYS HB2 1 1 20 23348 1 1 9 LYS HB3 H 11.554 -9.763 11.477 1.00 . A A . 9 LYS HB3 1 1 20 23349 1 1 9 LYS HD2 H 13.721 -8.772 10.367 1.00 . A A . 9 LYS HD2 1 1 20 23350 1 1 9 LYS HD3 H 12.803 -7.865 9.162 1.00 . A A . 9 LYS HD3 1 1 20 23351 1 1 9 LYS HE2 H 14.905 -6.780 9.414 1.00 . A A . 9 LYS HE2 1 1 20 23352 1 1 9 LYS HE3 H 13.627 -5.724 10.020 1.00 . A A . 9 LYS HE3 1 1 20 23353 1 1 9 LYS HG2 H 11.472 -6.764 10.942 1.00 . A A . 9 LYS HG2 1 1 20 23354 1 1 9 LYS HG3 H 12.390 -7.612 12.192 1.00 . A A . 9 LYS HG3 1 1 20 23355 1 1 9 LYS HZ1 H 14.242 -6.376 12.254 1.00 . A A . 9 LYS HZ1 1 1 20 23356 1 1 9 LYS HZ2 H 15.414 -7.385 11.683 1.00 . A A . 9 LYS HZ2 1 1 20 23357 1 1 9 LYS HZ3 H 15.541 -5.761 11.459 1.00 . A A . 9 LYS HZ3 1 1 20 23358 1 1 9 LYS N N 9.952 -7.937 9.137 1.00 . A A . 9 LYS N 1 1 20 23359 1 1 9 LYS NZ N 14.894 -6.538 11.501 1.00 . A A . 9 LYS NZ 1 1 20 23360 1 1 9 LYS O O 9.791 -11.411 9.472 1.00 . A A . 9 LYS O 1 1 20 23361 1 1 10 LYS C C 7.042 -11.488 8.324 1.00 . A A . 10 LYS C 1 1 20 23362 1 1 10 LYS CA C 7.119 -10.953 9.753 1.00 . A A . 10 LYS CA 1 1 20 23363 1 1 10 LYS CB C 5.765 -10.520 10.340 1.00 . A A . 10 LYS CB 1 1 20 23364 1 1 10 LYS CD C 3.572 -10.445 9.001 1.00 . A A . 10 LYS CD 1 1 20 23365 1 1 10 LYS CE C 3.868 -11.643 8.104 1.00 . A A . 10 LYS CE 1 1 20 23366 1 1 10 LYS CG C 4.844 -9.701 9.421 1.00 . A A . 10 LYS CG 1 1 20 23367 1 1 10 LYS H H 7.925 -8.965 10.142 1.00 . A A . 10 LYS H 1 1 20 23368 1 1 10 LYS HA H 7.399 -11.818 10.346 1.00 . A A . 10 LYS HA 1 1 20 23369 1 1 10 LYS HB2 H 5.231 -11.419 10.646 1.00 . A A . 10 LYS HB2 1 1 20 23370 1 1 10 LYS HB3 H 5.970 -9.954 11.248 1.00 . A A . 10 LYS HB3 1 1 20 23371 1 1 10 LYS HD2 H 3.034 -10.771 9.891 1.00 . A A . 10 LYS HD2 1 1 20 23372 1 1 10 LYS HD3 H 2.947 -9.730 8.461 1.00 . A A . 10 LYS HD3 1 1 20 23373 1 1 10 LYS HE2 H 4.634 -11.351 7.395 1.00 . A A . 10 LYS HE2 1 1 20 23374 1 1 10 LYS HE3 H 4.250 -12.472 8.704 1.00 . A A . 10 LYS HE3 1 1 20 23375 1 1 10 LYS HG2 H 4.471 -8.865 9.990 1.00 . A A . 10 LYS HG2 1 1 20 23376 1 1 10 LYS HG3 H 5.373 -9.288 8.563 1.00 . A A . 10 LYS HG3 1 1 20 23377 1 1 10 LYS HZ1 H 2.313 -11.261 6.833 1.00 . A A . 10 LYS HZ1 1 1 20 23378 1 1 10 LYS HZ2 H 2.927 -12.791 6.700 1.00 . A A . 10 LYS HZ2 1 1 20 23379 1 1 10 LYS HZ3 H 1.959 -12.396 7.975 1.00 . A A . 10 LYS HZ3 1 1 20 23380 1 1 10 LYS N N 8.155 -9.928 9.895 1.00 . A A . 10 LYS N 1 1 20 23381 1 1 10 LYS NZ N 2.673 -12.056 7.347 1.00 . A A . 10 LYS NZ 1 1 20 23382 1 1 10 LYS O O 6.707 -12.654 8.126 1.00 . A A . 10 LYS O 1 1 20 23383 1 1 11 GLY C C 7.239 -9.734 5.093 1.00 . A A . 11 GLY C 1 1 20 23384 1 1 11 GLY CA C 7.143 -10.996 5.935 1.00 . A A . 11 GLY CA 1 1 20 23385 1 1 11 GLY H H 7.540 -9.679 7.518 1.00 . A A . 11 GLY H 1 1 20 23386 1 1 11 GLY HA2 H 7.918 -11.714 5.664 1.00 . A A . 11 GLY HA2 1 1 20 23387 1 1 11 GLY HA3 H 6.160 -11.432 5.787 1.00 . A A . 11 GLY HA3 1 1 20 23388 1 1 11 GLY N N 7.282 -10.633 7.327 1.00 . A A . 11 GLY N 1 1 20 23389 1 1 11 GLY O O 6.517 -8.765 5.362 1.00 . A A . 11 GLY O 1 1 20 23390 1 1 12 ASN C C 7.150 -8.191 2.535 1.00 . A A . 12 ASN C 1 1 20 23391 1 1 12 ASN CA C 8.424 -8.558 3.293 1.00 . A A . 12 ASN CA 1 1 20 23392 1 1 12 ASN CB C 9.557 -8.845 2.299 1.00 . A A . 12 ASN CB 1 1 20 23393 1 1 12 ASN CG C 10.931 -9.146 2.903 1.00 . A A . 12 ASN CG 1 1 20 23394 1 1 12 ASN H H 8.640 -10.587 3.924 1.00 . A A . 12 ASN H 1 1 20 23395 1 1 12 ASN HA H 8.721 -7.735 3.937 1.00 . A A . 12 ASN HA 1 1 20 23396 1 1 12 ASN HB2 H 9.263 -9.683 1.666 1.00 . A A . 12 ASN HB2 1 1 20 23397 1 1 12 ASN HB3 H 9.675 -7.972 1.657 1.00 . A A . 12 ASN HB3 1 1 20 23398 1 1 12 ASN HD21 H 10.385 -8.838 4.886 1.00 . A A . 12 ASN HD21 1 1 20 23399 1 1 12 ASN HD22 H 12.039 -9.262 4.573 1.00 . A A . 12 ASN HD22 1 1 20 23400 1 1 12 ASN N N 8.154 -9.723 4.124 1.00 . A A . 12 ASN N 1 1 20 23401 1 1 12 ASN ND2 N 11.114 -9.069 4.222 1.00 . A A . 12 ASN ND2 1 1 20 23402 1 1 12 ASN O O 6.568 -9.050 1.874 1.00 . A A . 12 ASN O 1 1 20 23403 1 1 12 ASN OD1 O 11.859 -9.456 2.165 1.00 . A A . 12 ASN OD1 1 1 20 23404 1 1 13 VAL C C 5.883 -5.829 0.664 1.00 . A A . 13 VAL C 1 1 20 23405 1 1 13 VAL CA C 5.491 -6.485 1.967 1.00 . A A . 13 VAL CA 1 1 20 23406 1 1 13 VAL CB C 4.681 -5.504 2.818 1.00 . A A . 13 VAL CB 1 1 20 23407 1 1 13 VAL CG1 C 3.660 -4.746 1.962 1.00 . A A . 13 VAL CG1 1 1 20 23408 1 1 13 VAL CG2 C 3.941 -6.278 3.900 1.00 . A A . 13 VAL CG2 1 1 20 23409 1 1 13 VAL H H 7.273 -6.261 3.137 1.00 . A A . 13 VAL H 1 1 20 23410 1 1 13 VAL HA H 4.847 -7.328 1.757 1.00 . A A . 13 VAL HA 1 1 20 23411 1 1 13 VAL HB H 5.361 -4.795 3.282 1.00 . A A . 13 VAL HB 1 1 20 23412 1 1 13 VAL HG11 H 4.140 -3.922 1.430 1.00 . A A . 13 VAL HG11 1 1 20 23413 1 1 13 VAL HG12 H 3.216 -5.422 1.235 1.00 . A A . 13 VAL HG12 1 1 20 23414 1 1 13 VAL HG13 H 2.878 -4.347 2.596 1.00 . A A . 13 VAL HG13 1 1 20 23415 1 1 13 VAL HG21 H 3.623 -5.599 4.690 1.00 . A A . 13 VAL HG21 1 1 20 23416 1 1 13 VAL HG22 H 3.074 -6.791 3.486 1.00 . A A . 13 VAL HG22 1 1 20 23417 1 1 13 VAL HG23 H 4.625 -7.009 4.310 1.00 . A A . 13 VAL HG23 1 1 20 23418 1 1 13 VAL N N 6.693 -6.942 2.653 1.00 . A A . 13 VAL N 1 1 20 23419 1 1 13 VAL O O 6.529 -4.781 0.699 1.00 . A A . 13 VAL O 1 1 20 23420 1 1 14 THR C C 4.457 -4.901 -2.072 1.00 . A A . 14 THR C 1 1 20 23421 1 1 14 THR CA C 5.654 -5.797 -1.762 1.00 . A A . 14 THR CA 1 1 20 23422 1 1 14 THR CB C 5.867 -6.887 -2.817 1.00 . A A . 14 THR CB 1 1 20 23423 1 1 14 THR CG2 C 6.161 -6.297 -4.200 1.00 . A A . 14 THR CG2 1 1 20 23424 1 1 14 THR H H 4.856 -7.221 -0.389 1.00 . A A . 14 THR H 1 1 20 23425 1 1 14 THR HA H 6.555 -5.186 -1.745 1.00 . A A . 14 THR HA 1 1 20 23426 1 1 14 THR HB H 4.980 -7.521 -2.872 1.00 . A A . 14 THR HB 1 1 20 23427 1 1 14 THR HG1 H 7.113 -8.367 -3.062 1.00 . A A . 14 THR HG1 1 1 20 23428 1 1 14 THR HG21 H 6.373 -7.099 -4.907 1.00 . A A . 14 THR HG21 1 1 20 23429 1 1 14 THR HG22 H 5.304 -5.732 -4.567 1.00 . A A . 14 THR HG22 1 1 20 23430 1 1 14 THR HG23 H 7.028 -5.638 -4.140 1.00 . A A . 14 THR HG23 1 1 20 23431 1 1 14 THR N N 5.460 -6.406 -0.458 1.00 . A A . 14 THR N 1 1 20 23432 1 1 14 THR O O 3.318 -5.247 -1.758 1.00 . A A . 14 THR O 1 1 20 23433 1 1 14 THR OG1 O 6.986 -7.657 -2.428 1.00 . A A . 14 THR OG1 1 1 20 23434 1 1 15 PHE C C 4.174 -2.418 -4.603 1.00 . A A . 15 PHE C 1 1 20 23435 1 1 15 PHE CA C 3.693 -2.881 -3.237 1.00 . A A . 15 PHE CA 1 1 20 23436 1 1 15 PHE CB C 3.400 -1.698 -2.304 1.00 . A A . 15 PHE CB 1 1 20 23437 1 1 15 PHE CD1 C 5.494 -1.334 -0.949 1.00 . A A . 15 PHE CD1 1 1 20 23438 1 1 15 PHE CD2 C 4.712 0.468 -2.394 1.00 . A A . 15 PHE CD2 1 1 20 23439 1 1 15 PHE CE1 C 6.537 -0.516 -0.496 1.00 . A A . 15 PHE CE1 1 1 20 23440 1 1 15 PHE CE2 C 5.712 1.311 -1.881 1.00 . A A . 15 PHE CE2 1 1 20 23441 1 1 15 PHE CG C 4.585 -0.848 -1.906 1.00 . A A . 15 PHE CG 1 1 20 23442 1 1 15 PHE CZ C 6.609 0.819 -0.919 1.00 . A A . 15 PHE CZ 1 1 20 23443 1 1 15 PHE H H 5.681 -3.493 -2.902 1.00 . A A . 15 PHE H 1 1 20 23444 1 1 15 PHE HA H 2.763 -3.438 -3.368 1.00 . A A . 15 PHE HA 1 1 20 23445 1 1 15 PHE HB2 H 2.654 -1.059 -2.775 1.00 . A A . 15 PHE HB2 1 1 20 23446 1 1 15 PHE HB3 H 2.971 -2.077 -1.383 1.00 . A A . 15 PHE HB3 1 1 20 23447 1 1 15 PHE HD1 H 5.387 -2.328 -0.538 1.00 . A A . 15 PHE HD1 1 1 20 23448 1 1 15 PHE HD2 H 4.044 0.838 -3.159 1.00 . A A . 15 PHE HD2 1 1 20 23449 1 1 15 PHE HE1 H 7.221 -0.879 0.257 1.00 . A A . 15 PHE HE1 1 1 20 23450 1 1 15 PHE HE2 H 5.840 2.318 -2.260 1.00 . A A . 15 PHE HE2 1 1 20 23451 1 1 15 PHE HZ H 7.392 1.455 -0.547 1.00 . A A . 15 PHE HZ 1 1 20 23452 1 1 15 PHE N N 4.717 -3.750 -2.690 1.00 . A A . 15 PHE N 1 1 20 23453 1 1 15 PHE O O 5.321 -1.988 -4.748 1.00 . A A . 15 PHE O 1 1 20 23454 1 1 16 ASP C C 3.135 -0.290 -6.429 1.00 . A A . 16 ASP C 1 1 20 23455 1 1 16 ASP CA C 3.478 -1.733 -6.807 1.00 . A A . 16 ASP CA 1 1 20 23456 1 1 16 ASP CB C 2.666 -2.297 -7.981 1.00 . A A . 16 ASP CB 1 1 20 23457 1 1 16 ASP CG C 3.133 -1.748 -9.331 1.00 . A A . 16 ASP CG 1 1 20 23458 1 1 16 ASP H H 2.362 -2.846 -5.412 1.00 . A A . 16 ASP H 1 1 20 23459 1 1 16 ASP HA H 4.524 -1.793 -7.103 1.00 . A A . 16 ASP HA 1 1 20 23460 1 1 16 ASP HB2 H 2.796 -3.379 -8.009 1.00 . A A . 16 ASP HB2 1 1 20 23461 1 1 16 ASP HB3 H 1.610 -2.080 -7.829 1.00 . A A . 16 ASP HB3 1 1 20 23462 1 1 16 ASP N N 3.295 -2.518 -5.605 1.00 . A A . 16 ASP N 1 1 20 23463 1 1 16 ASP O O 2.300 -0.034 -5.560 1.00 . A A . 16 ASP O 1 1 20 23464 1 1 16 ASP OD1 O 3.490 -0.552 -9.390 1.00 . A A . 16 ASP OD1 1 1 20 23465 1 1 16 ASP OD2 O 3.082 -2.507 -10.321 1.00 . A A . 16 ASP OD2 1 1 20 23466 1 1 17 HIS C C 3.395 2.739 -8.008 1.00 . A A . 17 HIS C 1 1 20 23467 1 1 17 HIS CA C 3.923 2.053 -6.750 1.00 . A A . 17 HIS CA 1 1 20 23468 1 1 17 HIS CB C 5.399 2.397 -6.459 1.00 . A A . 17 HIS CB 1 1 20 23469 1 1 17 HIS CD2 C 4.888 4.553 -5.150 1.00 . A A . 17 HIS CD2 1 1 20 23470 1 1 17 HIS CE1 C 6.752 5.637 -5.532 1.00 . A A . 17 HIS CE1 1 1 20 23471 1 1 17 HIS CG C 5.702 3.758 -5.908 1.00 . A A . 17 HIS CG 1 1 20 23472 1 1 17 HIS H H 4.385 0.274 -7.830 1.00 . A A . 17 HIS H 1 1 20 23473 1 1 17 HIS HA H 3.296 2.295 -5.892 1.00 . A A . 17 HIS HA 1 1 20 23474 1 1 17 HIS HB2 H 5.822 1.654 -5.783 1.00 . A A . 17 HIS HB2 1 1 20 23475 1 1 17 HIS HB3 H 5.975 2.356 -7.377 1.00 . A A . 17 HIS HB3 1 1 20 23476 1 1 17 HIS HD1 H 7.675 4.078 -6.639 1.00 . A A . 17 HIS HD1 1 1 20 23477 1 1 17 HIS HD2 H 3.896 4.299 -4.816 1.00 . A A . 17 HIS HD2 1 1 20 23478 1 1 17 HIS HE1 H 7.500 6.412 -5.566 1.00 . A A . 17 HIS HE1 1 1 20 23479 1 1 17 HIS N N 3.867 0.632 -7.028 1.00 . A A . 17 HIS N 1 1 20 23480 1 1 17 HIS ND1 N 6.878 4.436 -6.121 1.00 . A A . 17 HIS ND1 1 1 20 23481 1 1 17 HIS NE2 N 5.555 5.763 -4.931 1.00 . A A . 17 HIS NE2 1 1 20 23482 1 1 17 HIS O O 2.402 3.459 -7.981 1.00 . A A . 17 HIS O 1 1 20 23483 1 1 18 LYS C C 2.312 2.454 -10.900 1.00 . A A . 18 LYS C 1 1 20 23484 1 1 18 LYS CA C 3.726 2.870 -10.477 1.00 . A A . 18 LYS CA 1 1 20 23485 1 1 18 LYS CB C 4.847 2.331 -11.367 1.00 . A A . 18 LYS CB 1 1 20 23486 1 1 18 LYS CD C 4.050 0.563 -12.973 1.00 . A A . 18 LYS CD 1 1 20 23487 1 1 18 LYS CE C 2.783 0.585 -13.835 1.00 . A A . 18 LYS CE 1 1 20 23488 1 1 18 LYS CG C 4.512 2.015 -12.812 1.00 . A A . 18 LYS CG 1 1 20 23489 1 1 18 LYS H H 4.801 1.765 -9.032 1.00 . A A . 18 LYS H 1 1 20 23490 1 1 18 LYS HA H 3.778 3.955 -10.521 1.00 . A A . 18 LYS HA 1 1 20 23491 1 1 18 LYS HB2 H 5.646 3.074 -11.360 1.00 . A A . 18 LYS HB2 1 1 20 23492 1 1 18 LYS HB3 H 5.221 1.400 -10.946 1.00 . A A . 18 LYS HB3 1 1 20 23493 1 1 18 LYS HD2 H 4.870 -0.007 -13.422 1.00 . A A . 18 LYS HD2 1 1 20 23494 1 1 18 LYS HD3 H 3.872 0.117 -11.995 1.00 . A A . 18 LYS HD3 1 1 20 23495 1 1 18 LYS HE2 H 2.146 1.390 -13.469 1.00 . A A . 18 LYS HE2 1 1 20 23496 1 1 18 LYS HE3 H 3.022 0.801 -14.878 1.00 . A A . 18 LYS HE3 1 1 20 23497 1 1 18 LYS HG2 H 3.847 2.768 -13.241 1.00 . A A . 18 LYS HG2 1 1 20 23498 1 1 18 LYS HG3 H 5.454 2.057 -13.324 1.00 . A A . 18 LYS HG3 1 1 20 23499 1 1 18 LYS HZ1 H 2.401 -1.407 -14.240 1.00 . A A . 18 LYS HZ1 1 1 20 23500 1 1 18 LYS HZ2 H 1.829 -0.894 -12.774 1.00 . A A . 18 LYS HZ2 1 1 20 23501 1 1 18 LYS HZ3 H 1.072 -0.405 -14.161 1.00 . A A . 18 LYS HZ3 1 1 20 23502 1 1 18 LYS N N 4.048 2.438 -9.129 1.00 . A A . 18 LYS N 1 1 20 23503 1 1 18 LYS NZ N 1.976 -0.642 -13.740 1.00 . A A . 18 LYS NZ 1 1 20 23504 1 1 18 LYS O O 1.549 3.260 -11.421 1.00 . A A . 18 LYS O 1 1 20 23505 1 1 19 ALA C C -0.412 1.621 -10.110 1.00 . A A . 19 ALA C 1 1 20 23506 1 1 19 ALA CA C 0.565 0.739 -10.878 1.00 . A A . 19 ALA CA 1 1 20 23507 1 1 19 ALA CB C 0.373 -0.685 -10.383 1.00 . A A . 19 ALA CB 1 1 20 23508 1 1 19 ALA H H 2.686 0.567 -10.372 1.00 . A A . 19 ALA H 1 1 20 23509 1 1 19 ALA HA H 0.308 0.769 -11.935 1.00 . A A . 19 ALA HA 1 1 20 23510 1 1 19 ALA HB1 H -0.677 -0.959 -10.485 1.00 . A A . 19 ALA HB1 1 1 20 23511 1 1 19 ALA HB2 H 0.976 -1.379 -10.960 1.00 . A A . 19 ALA HB2 1 1 20 23512 1 1 19 ALA HB3 H 0.640 -0.712 -9.330 1.00 . A A . 19 ALA HB3 1 1 20 23513 1 1 19 ALA N N 1.945 1.193 -10.695 1.00 . A A . 19 ALA N 1 1 20 23514 1 1 19 ALA O O -1.291 2.246 -10.694 1.00 . A A . 19 ALA O 1 1 20 23515 1 1 20 HIS C C -1.155 3.916 -8.435 1.00 . A A . 20 HIS C 1 1 20 23516 1 1 20 HIS CA C -1.195 2.453 -7.980 1.00 . A A . 20 HIS CA 1 1 20 23517 1 1 20 HIS CB C -0.887 2.259 -6.491 1.00 . A A . 20 HIS CB 1 1 20 23518 1 1 20 HIS CD2 C -1.500 0.507 -4.710 1.00 . A A . 20 HIS CD2 1 1 20 23519 1 1 20 HIS CE1 C -1.832 -1.230 -5.978 1.00 . A A . 20 HIS CE1 1 1 20 23520 1 1 20 HIS CG C -1.168 0.855 -5.997 1.00 . A A . 20 HIS CG 1 1 20 23521 1 1 20 HIS H H 0.508 1.213 -8.341 1.00 . A A . 20 HIS H 1 1 20 23522 1 1 20 HIS HA H -2.203 2.077 -8.162 1.00 . A A . 20 HIS HA 1 1 20 23523 1 1 20 HIS HB2 H 0.157 2.507 -6.291 1.00 . A A . 20 HIS HB2 1 1 20 23524 1 1 20 HIS HB3 H -1.524 2.942 -5.929 1.00 . A A . 20 HIS HB3 1 1 20 23525 1 1 20 HIS HD1 H -1.560 -0.294 -7.799 1.00 . A A . 20 HIS HD1 1 1 20 23526 1 1 20 HIS HD2 H -1.540 1.168 -3.865 1.00 . A A . 20 HIS HD2 1 1 20 23527 1 1 20 HIS HE1 H -2.174 -2.172 -6.360 1.00 . A A . 20 HIS HE1 1 1 20 23528 1 1 20 HIS N N -0.269 1.679 -8.788 1.00 . A A . 20 HIS N 1 1 20 23529 1 1 20 HIS ND1 N -1.413 -0.250 -6.787 1.00 . A A . 20 HIS ND1 1 1 20 23530 1 1 20 HIS NE2 N -1.960 -0.814 -4.710 1.00 . A A . 20 HIS NE2 1 1 20 23531 1 1 20 HIS O O -2.159 4.621 -8.412 1.00 . A A . 20 HIS O 1 1 20 23532 1 1 21 ALA C C -0.744 5.908 -10.683 1.00 . A A . 21 ALA C 1 1 20 23533 1 1 21 ALA CA C 0.138 5.709 -9.450 1.00 . A A . 21 ALA CA 1 1 20 23534 1 1 21 ALA CB C 1.595 6.030 -9.766 1.00 . A A . 21 ALA CB 1 1 20 23535 1 1 21 ALA H H 0.803 3.738 -8.902 1.00 . A A . 21 ALA H 1 1 20 23536 1 1 21 ALA HA H -0.191 6.416 -8.687 1.00 . A A . 21 ALA HA 1 1 20 23537 1 1 21 ALA HB1 H 1.984 5.359 -10.517 1.00 . A A . 21 ALA HB1 1 1 20 23538 1 1 21 ALA HB2 H 1.644 7.035 -10.175 1.00 . A A . 21 ALA HB2 1 1 20 23539 1 1 21 ALA HB3 H 2.202 5.952 -8.865 1.00 . A A . 21 ALA HB3 1 1 20 23540 1 1 21 ALA N N 0.006 4.372 -8.906 1.00 . A A . 21 ALA N 1 1 20 23541 1 1 21 ALA O O -1.516 6.861 -10.706 1.00 . A A . 21 ALA O 1 1 20 23542 1 1 22 GLU C C -2.762 4.907 -12.883 1.00 . A A . 22 GLU C 1 1 20 23543 1 1 22 GLU CA C -1.265 5.202 -12.998 1.00 . A A . 22 GLU CA 1 1 20 23544 1 1 22 GLU CB C -0.567 4.336 -14.073 1.00 . A A . 22 GLU CB 1 1 20 23545 1 1 22 GLU CD C -0.001 1.921 -14.827 1.00 . A A . 22 GLU CD 1 1 20 23546 1 1 22 GLU CG C -0.857 2.828 -13.953 1.00 . A A . 22 GLU CG 1 1 20 23547 1 1 22 GLU H H -0.014 4.244 -11.565 1.00 . A A . 22 GLU H 1 1 20 23548 1 1 22 GLU HA H -1.152 6.244 -13.302 1.00 . A A . 22 GLU HA 1 1 20 23549 1 1 22 GLU HB2 H -0.898 4.660 -15.061 1.00 . A A . 22 GLU HB2 1 1 20 23550 1 1 22 GLU HB3 H 0.511 4.495 -14.011 1.00 . A A . 22 GLU HB3 1 1 20 23551 1 1 22 GLU HG2 H -0.654 2.533 -12.936 1.00 . A A . 22 GLU HG2 1 1 20 23552 1 1 22 GLU HG3 H -1.898 2.628 -14.196 1.00 . A A . 22 GLU HG3 1 1 20 23553 1 1 22 GLU N N -0.614 5.047 -11.700 1.00 . A A . 22 GLU N 1 1 20 23554 1 1 22 GLU O O -3.589 5.641 -13.417 1.00 . A A . 22 GLU O 1 1 20 23555 1 1 22 GLU OE1 O 0.803 2.446 -15.623 1.00 . A A . 22 GLU OE1 1 1 20 23556 1 1 22 GLU OE2 O -0.098 0.688 -14.620 1.00 . A A . 22 GLU OE2 1 1 20 23557 1 1 23 LYS C C -5.336 4.366 -11.395 1.00 . A A . 23 LYS C 1 1 20 23558 1 1 23 LYS CA C -4.455 3.313 -12.057 1.00 . A A . 23 LYS CA 1 1 20 23559 1 1 23 LYS CB C -4.428 2.015 -11.235 1.00 . A A . 23 LYS CB 1 1 20 23560 1 1 23 LYS CD C -4.430 0.183 -13.012 1.00 . A A . 23 LYS CD 1 1 20 23561 1 1 23 LYS CE C -5.342 -0.883 -12.387 1.00 . A A . 23 LYS CE 1 1 20 23562 1 1 23 LYS CG C -3.633 0.890 -11.917 1.00 . A A . 23 LYS CG 1 1 20 23563 1 1 23 LYS H H -2.355 3.261 -11.784 1.00 . A A . 23 LYS H 1 1 20 23564 1 1 23 LYS HA H -4.856 3.116 -13.051 1.00 . A A . 23 LYS HA 1 1 20 23565 1 1 23 LYS HB2 H -3.952 2.223 -10.276 1.00 . A A . 23 LYS HB2 1 1 20 23566 1 1 23 LYS HB3 H -5.448 1.687 -11.033 1.00 . A A . 23 LYS HB3 1 1 20 23567 1 1 23 LYS HD2 H -4.993 0.934 -13.565 1.00 . A A . 23 LYS HD2 1 1 20 23568 1 1 23 LYS HD3 H -3.707 -0.287 -13.682 1.00 . A A . 23 LYS HD3 1 1 20 23569 1 1 23 LYS HE2 H -4.723 -1.608 -11.857 1.00 . A A . 23 LYS HE2 1 1 20 23570 1 1 23 LYS HE3 H -6.019 -0.417 -11.669 1.00 . A A . 23 LYS HE3 1 1 20 23571 1 1 23 LYS HG2 H -2.729 1.284 -12.375 1.00 . A A . 23 LYS HG2 1 1 20 23572 1 1 23 LYS HG3 H -3.323 0.173 -11.153 1.00 . A A . 23 LYS HG3 1 1 20 23573 1 1 23 LYS HZ1 H -6.700 -2.302 -12.917 1.00 . A A . 23 LYS HZ1 1 1 20 23574 1 1 23 LYS HZ2 H -6.747 -0.964 -13.879 1.00 . A A . 23 LYS HZ2 1 1 20 23575 1 1 23 LYS HZ3 H -5.527 -2.068 -14.049 1.00 . A A . 23 LYS HZ3 1 1 20 23576 1 1 23 LYS N N -3.100 3.815 -12.191 1.00 . A A . 23 LYS N 1 1 20 23577 1 1 23 LYS NZ N -6.139 -1.607 -13.392 1.00 . A A . 23 LYS NZ 1 1 20 23578 1 1 23 LYS O O -6.436 4.643 -11.870 1.00 . A A . 23 LYS O 1 1 20 23579 1 1 24 LEU C C -5.328 7.322 -10.153 1.00 . A A . 24 LEU C 1 1 20 23580 1 1 24 LEU CA C -5.583 5.944 -9.548 1.00 . A A . 24 LEU CA 1 1 20 23581 1 1 24 LEU CB C -5.149 5.941 -8.083 1.00 . A A . 24 LEU CB 1 1 20 23582 1 1 24 LEU CD1 C -7.026 4.731 -6.900 1.00 . A A . 24 LEU CD1 1 1 20 23583 1 1 24 LEU CD2 C -5.174 3.331 -7.830 1.00 . A A . 24 LEU CD2 1 1 20 23584 1 1 24 LEU CG C -5.537 4.702 -7.255 1.00 . A A . 24 LEU CG 1 1 20 23585 1 1 24 LEU H H -3.959 4.620 -9.928 1.00 . A A . 24 LEU H 1 1 20 23586 1 1 24 LEU HA H -6.655 5.748 -9.596 1.00 . A A . 24 LEU HA 1 1 20 23587 1 1 24 LEU HB2 H -4.072 6.086 -8.029 1.00 . A A . 24 LEU HB2 1 1 20 23588 1 1 24 LEU HB3 H -5.612 6.812 -7.619 1.00 . A A . 24 LEU HB3 1 1 20 23589 1 1 24 LEU HD11 H -7.279 3.855 -6.305 1.00 . A A . 24 LEU HD11 1 1 20 23590 1 1 24 LEU HD12 H -7.241 5.631 -6.324 1.00 . A A . 24 LEU HD12 1 1 20 23591 1 1 24 LEU HD13 H -7.632 4.723 -7.804 1.00 . A A . 24 LEU HD13 1 1 20 23592 1 1 24 LEU HD21 H -4.121 3.316 -8.091 1.00 . A A . 24 LEU HD21 1 1 20 23593 1 1 24 LEU HD22 H -5.336 2.568 -7.069 1.00 . A A . 24 LEU HD22 1 1 20 23594 1 1 24 LEU HD23 H -5.787 3.096 -8.699 1.00 . A A . 24 LEU HD23 1 1 20 23595 1 1 24 LEU HG H -4.957 4.779 -6.342 1.00 . A A . 24 LEU HG 1 1 20 23596 1 1 24 LEU N N -4.853 4.930 -10.288 1.00 . A A . 24 LEU N 1 1 20 23597 1 1 24 LEU O O -6.273 8.054 -10.436 1.00 . A A . 24 LEU O 1 1 20 23598 1 1 25 GLY C C -2.918 9.745 -9.570 1.00 . A A . 25 GLY C 1 1 20 23599 1 1 25 GLY CA C -3.635 9.020 -10.708 1.00 . A A . 25 GLY CA 1 1 20 23600 1 1 25 GLY H H -3.307 6.983 -10.241 1.00 . A A . 25 GLY H 1 1 20 23601 1 1 25 GLY HA2 H -2.935 8.941 -11.533 1.00 . A A . 25 GLY HA2 1 1 20 23602 1 1 25 GLY HA3 H -4.481 9.626 -11.034 1.00 . A A . 25 GLY HA3 1 1 20 23603 1 1 25 GLY N N -4.050 7.676 -10.336 1.00 . A A . 25 GLY N 1 1 20 23604 1 1 25 GLY O O -3.080 10.955 -9.427 1.00 . A A . 25 GLY O 1 1 20 23605 1 1 26 CYS C C -1.842 10.066 -6.502 1.00 . A A . 26 CYS C 1 1 20 23606 1 1 26 CYS CA C -1.153 9.582 -7.793 1.00 . A A . 26 CYS CA 1 1 20 23607 1 1 26 CYS CB C -0.291 10.671 -8.403 1.00 . A A . 26 CYS CB 1 1 20 23608 1 1 26 CYS H H -1.967 8.061 -9.064 1.00 . A A . 26 CYS H 1 1 20 23609 1 1 26 CYS HA H -0.508 8.756 -7.500 1.00 . A A . 26 CYS HA 1 1 20 23610 1 1 26 CYS HB2 H -0.191 10.523 -9.477 1.00 . A A . 26 CYS HB2 1 1 20 23611 1 1 26 CYS HB3 H -0.758 11.644 -8.243 1.00 . A A . 26 CYS HB3 1 1 20 23612 1 1 26 CYS N N -2.075 9.034 -8.804 1.00 . A A . 26 CYS N 1 1 20 23613 1 1 26 CYS O O -1.433 9.692 -5.394 1.00 . A A . 26 CYS O 1 1 20 23614 1 1 26 CYS SG S 1.376 10.714 -7.685 1.00 . A A . 26 CYS SG 1 1 20 23615 1 1 27 ASP C C -4.033 10.571 -4.522 1.00 . A A . 27 ASP C 1 1 20 23616 1 1 27 ASP CA C -3.770 11.499 -5.696 1.00 . A A . 27 ASP CA 1 1 20 23617 1 1 27 ASP CB C -5.090 11.878 -6.393 1.00 . A A . 27 ASP CB 1 1 20 23618 1 1 27 ASP CG C -5.907 10.683 -6.897 1.00 . A A . 27 ASP CG 1 1 20 23619 1 1 27 ASP H H -3.260 10.913 -7.610 1.00 . A A . 27 ASP H 1 1 20 23620 1 1 27 ASP HA H -3.294 12.408 -5.329 1.00 . A A . 27 ASP HA 1 1 20 23621 1 1 27 ASP HB2 H -5.700 12.429 -5.675 1.00 . A A . 27 ASP HB2 1 1 20 23622 1 1 27 ASP HB3 H -4.881 12.532 -7.238 1.00 . A A . 27 ASP HB3 1 1 20 23623 1 1 27 ASP N N -2.893 10.874 -6.673 1.00 . A A . 27 ASP N 1 1 20 23624 1 1 27 ASP O O -3.981 10.982 -3.366 1.00 . A A . 27 ASP O 1 1 20 23625 1 1 27 ASP OD1 O -5.276 9.680 -7.310 1.00 . A A . 27 ASP OD1 1 1 20 23626 1 1 27 ASP OD2 O -7.149 10.782 -6.833 1.00 . A A . 27 ASP OD2 1 1 20 23627 1 1 28 ALA C C -3.598 8.291 -2.712 1.00 . A A . 28 ALA C 1 1 20 23628 1 1 28 ALA CA C -4.446 8.182 -3.975 1.00 . A A . 28 ALA CA 1 1 20 23629 1 1 28 ALA CB C -4.066 6.927 -4.751 1.00 . A A . 28 ALA CB 1 1 20 23630 1 1 28 ALA H H -4.394 9.163 -5.872 1.00 . A A . 28 ALA H 1 1 20 23631 1 1 28 ALA HA H -5.500 8.142 -3.717 1.00 . A A . 28 ALA HA 1 1 20 23632 1 1 28 ALA HB1 H -3.060 7.030 -5.161 1.00 . A A . 28 ALA HB1 1 1 20 23633 1 1 28 ALA HB2 H -4.113 6.049 -4.110 1.00 . A A . 28 ALA HB2 1 1 20 23634 1 1 28 ALA HB3 H -4.772 6.829 -5.569 1.00 . A A . 28 ALA HB3 1 1 20 23635 1 1 28 ALA N N -4.281 9.309 -4.864 1.00 . A A . 28 ALA N 1 1 20 23636 1 1 28 ALA O O -4.091 8.042 -1.614 1.00 . A A . 28 ALA O 1 1 20 23637 1 1 29 CYS C C -0.576 9.989 -1.771 1.00 . A A . 29 CYS C 1 1 20 23638 1 1 29 CYS CA C -1.341 8.664 -1.810 1.00 . A A . 29 CYS CA 1 1 20 23639 1 1 29 CYS CB C -0.387 7.514 -1.955 1.00 . A A . 29 CYS CB 1 1 20 23640 1 1 29 CYS H H -2.015 8.813 -3.842 1.00 . A A . 29 CYS H 1 1 20 23641 1 1 29 CYS HA H -1.841 8.557 -0.847 1.00 . A A . 29 CYS HA 1 1 20 23642 1 1 29 CYS HB2 H 0.232 7.731 -2.823 1.00 . A A . 29 CYS HB2 1 1 20 23643 1 1 29 CYS HB3 H 0.252 7.451 -1.073 1.00 . A A . 29 CYS HB3 1 1 20 23644 1 1 29 CYS N N -2.316 8.621 -2.891 1.00 . A A . 29 CYS N 1 1 20 23645 1 1 29 CYS O O -0.130 10.388 -0.696 1.00 . A A . 29 CYS O 1 1 20 23646 1 1 29 CYS SG S -1.269 5.928 -2.181 1.00 . A A . 29 CYS SG 1 1 20 23647 1 1 30 HIS C C -0.407 12.910 -3.843 1.00 . A A . 30 HIS C 1 1 20 23648 1 1 30 HIS CA C 0.351 11.922 -2.965 1.00 . A A . 30 HIS CA 1 1 20 23649 1 1 30 HIS CB C 1.744 11.724 -3.561 1.00 . A A . 30 HIS CB 1 1 20 23650 1 1 30 HIS CD2 C 2.806 9.454 -3.646 1.00 . A A . 30 HIS CD2 1 1 20 23651 1 1 30 HIS CE1 C 4.414 9.685 -2.199 1.00 . A A . 30 HIS CE1 1 1 20 23652 1 1 30 HIS CG C 2.569 10.610 -2.975 1.00 . A A . 30 HIS CG 1 1 20 23653 1 1 30 HIS H H -0.796 10.348 -3.787 1.00 . A A . 30 HIS H 1 1 20 23654 1 1 30 HIS HA H 0.463 12.344 -1.964 1.00 . A A . 30 HIS HA 1 1 20 23655 1 1 30 HIS HB2 H 1.623 11.519 -4.627 1.00 . A A . 30 HIS HB2 1 1 20 23656 1 1 30 HIS HB3 H 2.282 12.666 -3.475 1.00 . A A . 30 HIS HB3 1 1 20 23657 1 1 30 HIS HD1 H 3.698 11.563 -1.475 1.00 . A A . 30 HIS HD1 1 1 20 23658 1 1 30 HIS HD2 H 2.275 9.116 -4.511 1.00 . A A . 30 HIS HD2 1 1 20 23659 1 1 30 HIS HE1 H 5.352 9.504 -1.696 1.00 . A A . 30 HIS HE1 1 1 20 23660 1 1 30 HIS N N -0.382 10.666 -2.913 1.00 . A A . 30 HIS N 1 1 20 23661 1 1 30 HIS ND1 N 3.586 10.751 -2.061 1.00 . A A . 30 HIS ND1 1 1 20 23662 1 1 30 HIS NE2 N 3.979 8.880 -3.177 1.00 . A A . 30 HIS NE2 1 1 20 23663 1 1 30 HIS O O -0.671 12.623 -5.007 1.00 . A A . 30 HIS O 1 1 20 23664 1 1 31 GLU C C -0.653 15.801 -5.060 1.00 . A A . 31 GLU C 1 1 20 23665 1 1 31 GLU CA C -1.495 15.093 -4.008 1.00 . A A . 31 GLU CA 1 1 20 23666 1 1 31 GLU CB C -2.052 16.119 -3.013 1.00 . A A . 31 GLU CB 1 1 20 23667 1 1 31 GLU CD C -3.680 16.246 -1.087 1.00 . A A . 31 GLU CD 1 1 20 23668 1 1 31 GLU CG C -2.617 15.406 -1.786 1.00 . A A . 31 GLU CG 1 1 20 23669 1 1 31 GLU H H -0.414 14.259 -2.351 1.00 . A A . 31 GLU H 1 1 20 23670 1 1 31 GLU HA H -2.336 14.600 -4.501 1.00 . A A . 31 GLU HA 1 1 20 23671 1 1 31 GLU HB2 H -1.299 16.834 -2.681 1.00 . A A . 31 GLU HB2 1 1 20 23672 1 1 31 GLU HB3 H -2.851 16.670 -3.516 1.00 . A A . 31 GLU HB3 1 1 20 23673 1 1 31 GLU HG2 H -3.051 14.479 -2.140 1.00 . A A . 31 GLU HG2 1 1 20 23674 1 1 31 GLU HG3 H -1.825 15.176 -1.074 1.00 . A A . 31 GLU HG3 1 1 20 23675 1 1 31 GLU N N -0.698 14.092 -3.306 1.00 . A A . 31 GLU N 1 1 20 23676 1 1 31 GLU O O -1.010 15.902 -6.231 1.00 . A A . 31 GLU O 1 1 20 23677 1 1 31 GLU OE1 O -4.710 16.517 -1.742 1.00 . A A . 31 GLU OE1 1 1 20 23678 1 1 31 GLU OE2 O -3.431 16.620 0.078 1.00 . A A . 31 GLU OE2 1 1 20 23679 1 1 32 GLY C C 2.716 17.162 -4.633 1.00 . A A . 32 GLY C 1 1 20 23680 1 1 32 GLY CA C 1.366 17.178 -5.335 1.00 . A A . 32 GLY CA 1 1 20 23681 1 1 32 GLY H H 0.670 16.179 -3.610 1.00 . A A . 32 GLY H 1 1 20 23682 1 1 32 GLY HA2 H 1.458 16.812 -6.358 1.00 . A A . 32 GLY HA2 1 1 20 23683 1 1 32 GLY HA3 H 0.980 18.198 -5.350 1.00 . A A . 32 GLY HA3 1 1 20 23684 1 1 32 GLY N N 0.467 16.334 -4.586 1.00 . A A . 32 GLY N 1 1 20 23685 1 1 32 GLY O O 2.780 17.234 -3.408 1.00 . A A . 32 GLY O 1 1 20 23686 1 1 33 THR C C 5.453 15.991 -3.926 1.00 . A A . 33 THR C 1 1 20 23687 1 1 33 THR CA C 5.165 17.081 -4.971 1.00 . A A . 33 THR CA 1 1 20 23688 1 1 33 THR CB C 5.496 18.499 -4.475 1.00 . A A . 33 THR CB 1 1 20 23689 1 1 33 THR CG2 C 7.009 18.715 -4.355 1.00 . A A . 33 THR CG2 1 1 20 23690 1 1 33 THR H H 3.584 16.914 -6.399 1.00 . A A . 33 THR H 1 1 20 23691 1 1 33 THR HA H 5.797 16.903 -5.841 1.00 . A A . 33 THR HA 1 1 20 23692 1 1 33 THR HB H 5.030 18.677 -3.503 1.00 . A A . 33 THR HB 1 1 20 23693 1 1 33 THR HG1 H 5.389 19.297 -6.254 1.00 . A A . 33 THR HG1 1 1 20 23694 1 1 33 THR HG21 H 7.433 18.033 -3.618 1.00 . A A . 33 THR HG21 1 1 20 23695 1 1 33 THR HG22 H 7.498 18.546 -5.316 1.00 . A A . 33 THR HG22 1 1 20 23696 1 1 33 THR HG23 H 7.205 19.738 -4.033 1.00 . A A . 33 THR HG23 1 1 20 23697 1 1 33 THR N N 3.779 17.026 -5.421 1.00 . A A . 33 THR N 1 1 20 23698 1 1 33 THR O O 5.674 16.294 -2.755 1.00 . A A . 33 THR O 1 1 20 23699 1 1 33 THR OG1 O 4.990 19.451 -5.395 1.00 . A A . 33 THR OG1 1 1 20 23700 1 1 34 PRO C C 7.301 13.665 -3.086 1.00 . A A . 34 PRO C 1 1 20 23701 1 1 34 PRO CA C 5.819 13.613 -3.454 1.00 . A A . 34 PRO CA 1 1 20 23702 1 1 34 PRO CB C 5.490 12.344 -4.227 1.00 . A A . 34 PRO CB 1 1 20 23703 1 1 34 PRO CD C 5.203 14.222 -5.679 1.00 . A A . 34 PRO CD 1 1 20 23704 1 1 34 PRO CG C 5.683 12.772 -5.674 1.00 . A A . 34 PRO CG 1 1 20 23705 1 1 34 PRO HA H 5.220 13.635 -2.547 1.00 . A A . 34 PRO HA 1 1 20 23706 1 1 34 PRO HB2 H 6.103 11.496 -3.920 1.00 . A A . 34 PRO HB2 1 1 20 23707 1 1 34 PRO HB3 H 4.440 12.106 -4.104 1.00 . A A . 34 PRO HB3 1 1 20 23708 1 1 34 PRO HD2 H 5.741 14.775 -6.448 1.00 . A A . 34 PRO HD2 1 1 20 23709 1 1 34 PRO HD3 H 4.130 14.251 -5.873 1.00 . A A . 34 PRO HD3 1 1 20 23710 1 1 34 PRO HG2 H 6.742 12.731 -5.926 1.00 . A A . 34 PRO HG2 1 1 20 23711 1 1 34 PRO HG3 H 5.090 12.149 -6.336 1.00 . A A . 34 PRO HG3 1 1 20 23712 1 1 34 PRO N N 5.461 14.711 -4.335 1.00 . A A . 34 PRO N 1 1 20 23713 1 1 34 PRO O O 8.067 14.459 -3.630 1.00 . A A . 34 PRO O 1 1 20 23714 1 1 35 ALA C C 9.402 11.487 -0.906 1.00 . A A . 35 ALA C 1 1 20 23715 1 1 35 ALA CA C 9.019 12.823 -1.547 1.00 . A A . 35 ALA CA 1 1 20 23716 1 1 35 ALA CB C 9.062 13.942 -0.503 1.00 . A A . 35 ALA CB 1 1 20 23717 1 1 35 ALA H H 7.013 12.141 -1.809 1.00 . A A . 35 ALA H 1 1 20 23718 1 1 35 ALA HA H 9.762 13.042 -2.316 1.00 . A A . 35 ALA HA 1 1 20 23719 1 1 35 ALA HB1 H 8.847 14.899 -0.978 1.00 . A A . 35 ALA HB1 1 1 20 23720 1 1 35 ALA HB2 H 8.321 13.752 0.274 1.00 . A A . 35 ALA HB2 1 1 20 23721 1 1 35 ALA HB3 H 10.055 13.984 -0.053 1.00 . A A . 35 ALA HB3 1 1 20 23722 1 1 35 ALA N N 7.694 12.796 -2.152 1.00 . A A . 35 ALA N 1 1 20 23723 1 1 35 ALA O O 10.582 11.166 -0.871 1.00 . A A . 35 ALA O 1 1 20 23724 1 1 36 LYS C C 7.247 9.549 1.363 1.00 . A A . 36 LYS C 1 1 20 23725 1 1 36 LYS CA C 8.469 9.548 0.446 1.00 . A A . 36 LYS CA 1 1 20 23726 1 1 36 LYS CB C 9.773 9.378 1.240 1.00 . A A . 36 LYS CB 1 1 20 23727 1 1 36 LYS CD C 9.679 10.330 3.631 1.00 . A A . 36 LYS CD 1 1 20 23728 1 1 36 LYS CE C 10.516 9.239 4.323 1.00 . A A . 36 LYS CE 1 1 20 23729 1 1 36 LYS CG C 10.089 10.561 2.170 1.00 . A A . 36 LYS CG 1 1 20 23730 1 1 36 LYS H H 7.482 11.128 -0.400 1.00 . A A . 36 LYS H 1 1 20 23731 1 1 36 LYS HA H 8.371 8.707 -0.219 1.00 . A A . 36 LYS HA 1 1 20 23732 1 1 36 LYS HB2 H 9.695 8.447 1.796 1.00 . A A . 36 LYS HB2 1 1 20 23733 1 1 36 LYS HB3 H 10.601 9.237 0.546 1.00 . A A . 36 LYS HB3 1 1 20 23734 1 1 36 LYS HD2 H 9.812 11.272 4.168 1.00 . A A . 36 LYS HD2 1 1 20 23735 1 1 36 LYS HD3 H 8.617 10.083 3.657 1.00 . A A . 36 LYS HD3 1 1 20 23736 1 1 36 LYS HE2 H 10.535 8.325 3.731 1.00 . A A . 36 LYS HE2 1 1 20 23737 1 1 36 LYS HE3 H 11.542 9.590 4.427 1.00 . A A . 36 LYS HE3 1 1 20 23738 1 1 36 LYS HG2 H 11.156 10.760 2.103 1.00 . A A . 36 LYS HG2 1 1 20 23739 1 1 36 LYS HG3 H 9.583 11.461 1.819 1.00 . A A . 36 LYS HG3 1 1 20 23740 1 1 36 LYS HZ1 H 10.510 8.153 6.069 1.00 . A A . 36 LYS HZ1 1 1 20 23741 1 1 36 LYS HZ2 H 9.939 9.691 6.254 1.00 . A A . 36 LYS HZ2 1 1 20 23742 1 1 36 LYS HZ3 H 9.011 8.546 5.511 1.00 . A A . 36 LYS HZ3 1 1 20 23743 1 1 36 LYS N N 8.414 10.764 -0.359 1.00 . A A . 36 LYS N 1 1 20 23744 1 1 36 LYS NZ N 9.962 8.887 5.644 1.00 . A A . 36 LYS NZ 1 1 20 23745 1 1 36 LYS O O 6.636 10.601 1.538 1.00 . A A . 36 LYS O 1 1 20 23746 1 1 37 ILE C C 6.621 7.572 4.191 1.00 . A A . 37 ILE C 1 1 20 23747 1 1 37 ILE CA C 5.930 8.305 3.036 1.00 . A A . 37 ILE CA 1 1 20 23748 1 1 37 ILE CB C 4.616 7.634 2.570 1.00 . A A . 37 ILE CB 1 1 20 23749 1 1 37 ILE CD1 C 3.389 9.611 1.448 1.00 . A A . 37 ILE CD1 1 1 20 23750 1 1 37 ILE CG1 C 4.022 8.224 1.296 1.00 . A A . 37 ILE CG1 1 1 20 23751 1 1 37 ILE CG2 C 3.532 7.625 3.666 1.00 . A A . 37 ILE CG2 1 1 20 23752 1 1 37 ILE H H 7.432 7.563 1.717 1.00 . A A . 37 ILE H 1 1 20 23753 1 1 37 ILE HA H 5.683 9.303 3.405 1.00 . A A . 37 ILE HA 1 1 20 23754 1 1 37 ILE HB H 4.834 6.619 2.253 1.00 . A A . 37 ILE HB 1 1 20 23755 1 1 37 ILE HD11 H 2.522 9.567 2.107 1.00 . A A . 37 ILE HD11 1 1 20 23756 1 1 37 ILE HD12 H 4.108 10.325 1.846 1.00 . A A . 37 ILE HD12 1 1 20 23757 1 1 37 ILE HD13 H 3.048 9.955 0.473 1.00 . A A . 37 ILE HD13 1 1 20 23758 1 1 37 ILE HG12 H 4.794 8.233 0.535 1.00 . A A . 37 ILE HG12 1 1 20 23759 1 1 37 ILE HG13 H 3.257 7.516 0.985 1.00 . A A . 37 ILE HG13 1 1 20 23760 1 1 37 ILE HG21 H 3.364 8.638 4.034 1.00 . A A . 37 ILE HG21 1 1 20 23761 1 1 37 ILE HG22 H 2.598 7.239 3.255 1.00 . A A . 37 ILE HG22 1 1 20 23762 1 1 37 ILE HG23 H 3.802 7.002 4.513 1.00 . A A . 37 ILE HG23 1 1 20 23763 1 1 37 ILE N N 6.905 8.396 1.951 1.00 . A A . 37 ILE N 1 1 20 23764 1 1 37 ILE O O 7.545 8.117 4.796 1.00 . A A . 37 ILE O 1 1 20 23765 1 1 38 ALA C C 6.028 4.155 5.577 1.00 . A A . 38 ALA C 1 1 20 23766 1 1 38 ALA CA C 6.742 5.502 5.551 1.00 . A A . 38 ALA CA 1 1 20 23767 1 1 38 ALA CB C 6.563 6.189 6.912 1.00 . A A . 38 ALA CB 1 1 20 23768 1 1 38 ALA H H 5.478 5.946 3.904 1.00 . A A . 38 ALA H 1 1 20 23769 1 1 38 ALA HA H 7.802 5.317 5.367 1.00 . A A . 38 ALA HA 1 1 20 23770 1 1 38 ALA HB1 H 7.201 7.066 7.002 1.00 . A A . 38 ALA HB1 1 1 20 23771 1 1 38 ALA HB2 H 5.522 6.487 7.041 1.00 . A A . 38 ALA HB2 1 1 20 23772 1 1 38 ALA HB3 H 6.831 5.491 7.707 1.00 . A A . 38 ALA HB3 1 1 20 23773 1 1 38 ALA N N 6.214 6.332 4.475 1.00 . A A . 38 ALA N 1 1 20 23774 1 1 38 ALA O O 6.682 3.121 5.534 1.00 . A A . 38 ALA O 1 1 20 23775 1 1 39 ILE C C 4.273 2.073 6.905 1.00 . A A . 39 ILE C 1 1 20 23776 1 1 39 ILE CA C 3.822 3.032 5.801 1.00 . A A . 39 ILE CA 1 1 20 23777 1 1 39 ILE CB C 3.625 2.368 4.446 1.00 . A A . 39 ILE CB 1 1 20 23778 1 1 39 ILE CD1 C 1.718 4.033 3.879 1.00 . A A . 39 ILE CD1 1 1 20 23779 1 1 39 ILE CG1 C 3.050 3.401 3.471 1.00 . A A . 39 ILE CG1 1 1 20 23780 1 1 39 ILE CG2 C 2.744 1.117 4.533 1.00 . A A . 39 ILE CG2 1 1 20 23781 1 1 39 ILE H H 4.232 5.073 5.460 1.00 . A A . 39 ILE H 1 1 20 23782 1 1 39 ILE HA H 2.845 3.401 6.116 1.00 . A A . 39 ILE HA 1 1 20 23783 1 1 39 ILE HB H 4.604 2.062 4.082 1.00 . A A . 39 ILE HB 1 1 20 23784 1 1 39 ILE HD11 H 1.281 4.533 3.015 1.00 . A A . 39 ILE HD11 1 1 20 23785 1 1 39 ILE HD12 H 1.037 3.264 4.229 1.00 . A A . 39 ILE HD12 1 1 20 23786 1 1 39 ILE HD13 H 1.863 4.774 4.666 1.00 . A A . 39 ILE HD13 1 1 20 23787 1 1 39 ILE HG12 H 3.771 4.198 3.308 1.00 . A A . 39 ILE HG12 1 1 20 23788 1 1 39 ILE HG13 H 2.904 2.880 2.540 1.00 . A A . 39 ILE HG13 1 1 20 23789 1 1 39 ILE HG21 H 2.537 0.739 3.534 1.00 . A A . 39 ILE HG21 1 1 20 23790 1 1 39 ILE HG22 H 3.277 0.339 5.074 1.00 . A A . 39 ILE HG22 1 1 20 23791 1 1 39 ILE HG23 H 1.806 1.328 5.043 1.00 . A A . 39 ILE HG23 1 1 20 23792 1 1 39 ILE N N 4.690 4.194 5.645 1.00 . A A . 39 ILE N 1 1 20 23793 1 1 39 ILE O O 5.022 1.122 6.696 1.00 . A A . 39 ILE O 1 1 20 23794 1 1 40 ASP C C 2.716 0.577 9.442 1.00 . A A . 40 ASP C 1 1 20 23795 1 1 40 ASP CA C 3.876 1.540 9.295 1.00 . A A . 40 ASP CA 1 1 20 23796 1 1 40 ASP CB C 3.915 2.445 10.537 1.00 . A A . 40 ASP CB 1 1 20 23797 1 1 40 ASP CG C 2.970 3.645 10.459 1.00 . A A . 40 ASP CG 1 1 20 23798 1 1 40 ASP H H 2.988 3.021 8.063 1.00 . A A . 40 ASP H 1 1 20 23799 1 1 40 ASP HA H 4.804 0.965 9.247 1.00 . A A . 40 ASP HA 1 1 20 23800 1 1 40 ASP HB2 H 3.671 1.872 11.430 1.00 . A A . 40 ASP HB2 1 1 20 23801 1 1 40 ASP HB3 H 4.946 2.765 10.644 1.00 . A A . 40 ASP HB3 1 1 20 23802 1 1 40 ASP N N 3.714 2.324 8.081 1.00 . A A . 40 ASP N 1 1 20 23803 1 1 40 ASP O O 1.643 0.803 8.890 1.00 . A A . 40 ASP O 1 1 20 23804 1 1 40 ASP OD1 O 1.736 3.428 10.459 1.00 . A A . 40 ASP OD1 1 1 20 23805 1 1 40 ASP OD2 O 3.481 4.776 10.357 1.00 . A A . 40 ASP OD2 1 1 20 23806 1 1 41 LYS C C 0.600 -0.863 10.897 1.00 . A A . 41 LYS C 1 1 20 23807 1 1 41 LYS CA C 1.954 -1.478 10.607 1.00 . A A . 41 LYS CA 1 1 20 23808 1 1 41 LYS CB C 2.475 -2.311 11.776 1.00 . A A . 41 LYS CB 1 1 20 23809 1 1 41 LYS CD C 3.925 -2.464 13.820 1.00 . A A . 41 LYS CD 1 1 20 23810 1 1 41 LYS CE C 5.302 -2.742 13.185 1.00 . A A . 41 LYS CE 1 1 20 23811 1 1 41 LYS CG C 3.083 -1.525 12.947 1.00 . A A . 41 LYS CG 1 1 20 23812 1 1 41 LYS H H 3.905 -0.706 10.444 1.00 . A A . 41 LYS H 1 1 20 23813 1 1 41 LYS HA H 1.827 -2.176 9.787 1.00 . A A . 41 LYS HA 1 1 20 23814 1 1 41 LYS HB2 H 1.666 -2.933 12.138 1.00 . A A . 41 LYS HB2 1 1 20 23815 1 1 41 LYS HB3 H 3.220 -2.973 11.358 1.00 . A A . 41 LYS HB3 1 1 20 23816 1 1 41 LYS HD2 H 4.060 -1.971 14.778 1.00 . A A . 41 LYS HD2 1 1 20 23817 1 1 41 LYS HD3 H 3.366 -3.388 13.976 1.00 . A A . 41 LYS HD3 1 1 20 23818 1 1 41 LYS HE2 H 5.189 -3.050 12.149 1.00 . A A . 41 LYS HE2 1 1 20 23819 1 1 41 LYS HE3 H 5.908 -1.834 13.184 1.00 . A A . 41 LYS HE3 1 1 20 23820 1 1 41 LYS HG2 H 3.724 -0.713 12.602 1.00 . A A . 41 LYS HG2 1 1 20 23821 1 1 41 LYS HG3 H 2.271 -1.106 13.543 1.00 . A A . 41 LYS HG3 1 1 20 23822 1 1 41 LYS HZ1 H 5.436 -4.613 14.045 1.00 . A A . 41 LYS HZ1 1 1 20 23823 1 1 41 LYS HZ2 H 6.739 -4.220 13.215 1.00 . A A . 41 LYS HZ2 1 1 20 23824 1 1 41 LYS HZ3 H 6.493 -3.523 14.704 1.00 . A A . 41 LYS HZ3 1 1 20 23825 1 1 41 LYS N N 2.932 -0.472 10.236 1.00 . A A . 41 LYS N 1 1 20 23826 1 1 41 LYS NZ N 6.039 -3.830 13.858 1.00 . A A . 41 LYS NZ 1 1 20 23827 1 1 41 LYS O O -0.406 -1.315 10.357 1.00 . A A . 41 LYS O 1 1 20 23828 1 1 42 LYS C C -1.255 1.373 10.686 1.00 . A A . 42 LYS C 1 1 20 23829 1 1 42 LYS CA C -0.610 0.938 11.999 1.00 . A A . 42 LYS CA 1 1 20 23830 1 1 42 LYS CB C -0.340 2.126 12.932 1.00 . A A . 42 LYS CB 1 1 20 23831 1 1 42 LYS CD C -0.533 2.593 15.430 1.00 . A A . 42 LYS CD 1 1 20 23832 1 1 42 LYS CE C -2.047 2.381 15.616 1.00 . A A . 42 LYS CE 1 1 20 23833 1 1 42 LYS CG C 0.038 1.663 14.348 1.00 . A A . 42 LYS CG 1 1 20 23834 1 1 42 LYS H H 1.491 0.517 12.046 1.00 . A A . 42 LYS H 1 1 20 23835 1 1 42 LYS HA H -1.323 0.273 12.492 1.00 . A A . 42 LYS HA 1 1 20 23836 1 1 42 LYS HB2 H 0.460 2.751 12.536 1.00 . A A . 42 LYS HB2 1 1 20 23837 1 1 42 LYS HB3 H -1.246 2.729 12.960 1.00 . A A . 42 LYS HB3 1 1 20 23838 1 1 42 LYS HD2 H -0.018 2.364 16.366 1.00 . A A . 42 LYS HD2 1 1 20 23839 1 1 42 LYS HD3 H -0.310 3.627 15.157 1.00 . A A . 42 LYS HD3 1 1 20 23840 1 1 42 LYS HE2 H -2.580 2.608 14.692 1.00 . A A . 42 LYS HE2 1 1 20 23841 1 1 42 LYS HE3 H -2.233 1.332 15.863 1.00 . A A . 42 LYS HE3 1 1 20 23842 1 1 42 LYS HG2 H -0.312 0.645 14.526 1.00 . A A . 42 LYS HG2 1 1 20 23843 1 1 42 LYS HG3 H 1.129 1.657 14.417 1.00 . A A . 42 LYS HG3 1 1 20 23844 1 1 42 LYS HZ1 H -2.461 4.204 16.485 1.00 . A A . 42 LYS HZ1 1 1 20 23845 1 1 42 LYS HZ2 H -3.601 3.057 16.773 1.00 . A A . 42 LYS HZ2 1 1 20 23846 1 1 42 LYS HZ3 H -2.169 3.005 17.576 1.00 . A A . 42 LYS HZ3 1 1 20 23847 1 1 42 LYS N N 0.595 0.180 11.729 1.00 . A A . 42 LYS N 1 1 20 23848 1 1 42 LYS NZ N -2.607 3.226 16.692 1.00 . A A . 42 LYS NZ 1 1 20 23849 1 1 42 LYS O O -2.272 0.807 10.311 1.00 . A A . 42 LYS O 1 1 20 23850 1 1 43 SER C C -1.642 1.935 7.764 1.00 . A A . 43 SER C 1 1 20 23851 1 1 43 SER CA C -1.300 2.976 8.821 1.00 . A A . 43 SER CA 1 1 20 23852 1 1 43 SER CB C -0.402 4.098 8.315 1.00 . A A . 43 SER CB 1 1 20 23853 1 1 43 SER H H 0.238 2.693 10.257 1.00 . A A . 43 SER H 1 1 20 23854 1 1 43 SER HA H -2.232 3.445 9.111 1.00 . A A . 43 SER HA 1 1 20 23855 1 1 43 SER HB2 H 0.552 3.693 7.969 1.00 . A A . 43 SER HB2 1 1 20 23856 1 1 43 SER HB3 H -0.886 4.625 7.491 1.00 . A A . 43 SER HB3 1 1 20 23857 1 1 43 SER HG H 0.598 4.614 9.890 1.00 . A A . 43 SER HG 1 1 20 23858 1 1 43 SER N N -0.696 2.368 9.995 1.00 . A A . 43 SER N 1 1 20 23859 1 1 43 SER O O -2.776 1.885 7.294 1.00 . A A . 43 SER O 1 1 20 23860 1 1 43 SER OG O -0.188 4.965 9.417 1.00 . A A . 43 SER OG 1 1 20 23861 1 1 44 ALA C C -2.166 -0.837 6.936 1.00 . A A . 44 ALA C 1 1 20 23862 1 1 44 ALA CA C -0.872 -0.096 6.611 1.00 . A A . 44 ALA CA 1 1 20 23863 1 1 44 ALA CB C 0.320 -1.022 6.811 1.00 . A A . 44 ALA CB 1 1 20 23864 1 1 44 ALA H H 0.204 1.164 7.918 1.00 . A A . 44 ALA H 1 1 20 23865 1 1 44 ALA HA H -0.903 0.222 5.570 1.00 . A A . 44 ALA HA 1 1 20 23866 1 1 44 ALA HB1 H 0.186 -1.866 6.140 1.00 . A A . 44 ALA HB1 1 1 20 23867 1 1 44 ALA HB2 H 1.243 -0.482 6.593 1.00 . A A . 44 ALA HB2 1 1 20 23868 1 1 44 ALA HB3 H 0.367 -1.386 7.836 1.00 . A A . 44 ALA HB3 1 1 20 23869 1 1 44 ALA N N -0.687 1.070 7.447 1.00 . A A . 44 ALA N 1 1 20 23870 1 1 44 ALA O O -3.010 -1.005 6.058 1.00 . A A . 44 ALA O 1 1 20 23871 1 1 45 HIS C C -4.631 -1.079 9.130 1.00 . A A . 45 HIS C 1 1 20 23872 1 1 45 HIS CA C -3.497 -2.010 8.637 1.00 . A A . 45 HIS CA 1 1 20 23873 1 1 45 HIS CB C -3.075 -3.016 9.722 1.00 . A A . 45 HIS CB 1 1 20 23874 1 1 45 HIS CD2 C -1.363 -4.488 8.352 1.00 . A A . 45 HIS CD2 1 1 20 23875 1 1 45 HIS CE1 C -1.708 -6.370 9.417 1.00 . A A . 45 HIS CE1 1 1 20 23876 1 1 45 HIS CG C -2.351 -4.282 9.298 1.00 . A A . 45 HIS CG 1 1 20 23877 1 1 45 HIS H H -1.620 -1.052 8.893 1.00 . A A . 45 HIS H 1 1 20 23878 1 1 45 HIS HA H -3.890 -2.588 7.809 1.00 . A A . 45 HIS HA 1 1 20 23879 1 1 45 HIS HB2 H -2.503 -2.510 10.495 1.00 . A A . 45 HIS HB2 1 1 20 23880 1 1 45 HIS HB3 H -3.985 -3.371 10.205 1.00 . A A . 45 HIS HB3 1 1 20 23881 1 1 45 HIS HD1 H -3.142 -5.622 10.749 1.00 . A A . 45 HIS HD1 1 1 20 23882 1 1 45 HIS HD2 H -0.927 -3.750 7.697 1.00 . A A . 45 HIS HD2 1 1 20 23883 1 1 45 HIS HE1 H -1.622 -7.377 9.779 1.00 . A A . 45 HIS HE1 1 1 20 23884 1 1 45 HIS N N -2.327 -1.268 8.191 1.00 . A A . 45 HIS N 1 1 20 23885 1 1 45 HIS ND1 N -2.538 -5.472 9.955 1.00 . A A . 45 HIS ND1 1 1 20 23886 1 1 45 HIS NE2 N -0.970 -5.842 8.427 1.00 . A A . 45 HIS NE2 1 1 20 23887 1 1 45 HIS O O -5.557 -1.557 9.783 1.00 . A A . 45 HIS O 1 1 20 23888 1 1 46 LYS C C -6.088 1.970 8.068 1.00 . A A . 46 LYS C 1 1 20 23889 1 1 46 LYS CA C -5.535 1.238 9.284 1.00 . A A . 46 LYS CA 1 1 20 23890 1 1 46 LYS CB C -4.849 2.140 10.324 1.00 . A A . 46 LYS CB 1 1 20 23891 1 1 46 LYS CD C -4.790 4.644 10.237 1.00 . A A . 46 LYS CD 1 1 20 23892 1 1 46 LYS CE C -3.537 4.952 11.088 1.00 . A A . 46 LYS CE 1 1 20 23893 1 1 46 LYS CG C -5.589 3.426 10.724 1.00 . A A . 46 LYS CG 1 1 20 23894 1 1 46 LYS H H -3.799 0.562 8.281 1.00 . A A . 46 LYS H 1 1 20 23895 1 1 46 LYS HA H -6.390 0.827 9.801 1.00 . A A . 46 LYS HA 1 1 20 23896 1 1 46 LYS HB2 H -4.666 1.548 11.222 1.00 . A A . 46 LYS HB2 1 1 20 23897 1 1 46 LYS HB3 H -3.897 2.427 9.910 1.00 . A A . 46 LYS HB3 1 1 20 23898 1 1 46 LYS HD2 H -4.515 4.430 9.212 1.00 . A A . 46 LYS HD2 1 1 20 23899 1 1 46 LYS HD3 H -5.471 5.496 10.231 1.00 . A A . 46 LYS HD3 1 1 20 23900 1 1 46 LYS HE2 H -3.875 5.443 12.002 1.00 . A A . 46 LYS HE2 1 1 20 23901 1 1 46 LYS HE3 H -3.028 4.029 11.370 1.00 . A A . 46 LYS HE3 1 1 20 23902 1 1 46 LYS HG2 H -6.583 3.447 10.268 1.00 . A A . 46 LYS HG2 1 1 20 23903 1 1 46 LYS HG3 H -5.717 3.470 11.807 1.00 . A A . 46 LYS HG3 1 1 20 23904 1 1 46 LYS HZ1 H -3.019 6.499 9.801 1.00 . A A . 46 LYS HZ1 1 1 20 23905 1 1 46 LYS HZ2 H -2.019 6.347 11.092 1.00 . A A . 46 LYS HZ2 1 1 20 23906 1 1 46 LYS HZ3 H -1.860 5.318 9.865 1.00 . A A . 46 LYS HZ3 1 1 20 23907 1 1 46 LYS N N -4.585 0.223 8.824 1.00 . A A . 46 LYS N 1 1 20 23908 1 1 46 LYS NZ N -2.555 5.837 10.406 1.00 . A A . 46 LYS NZ 1 1 20 23909 1 1 46 LYS O O -7.213 1.709 7.656 1.00 . A A . 46 LYS O 1 1 20 23910 1 1 47 ASP C C -4.410 4.036 5.576 1.00 . A A . 47 ASP C 1 1 20 23911 1 1 47 ASP CA C -5.649 3.745 6.406 1.00 . A A . 47 ASP CA 1 1 20 23912 1 1 47 ASP CB C -6.333 5.025 6.896 1.00 . A A . 47 ASP CB 1 1 20 23913 1 1 47 ASP CG C -7.755 4.748 7.351 1.00 . A A . 47 ASP CG 1 1 20 23914 1 1 47 ASP H H -4.309 2.853 7.758 1.00 . A A . 47 ASP H 1 1 20 23915 1 1 47 ASP HA H -6.353 3.225 5.770 1.00 . A A . 47 ASP HA 1 1 20 23916 1 1 47 ASP HB2 H -5.762 5.510 7.683 1.00 . A A . 47 ASP HB2 1 1 20 23917 1 1 47 ASP HB3 H -6.400 5.715 6.057 1.00 . A A . 47 ASP HB3 1 1 20 23918 1 1 47 ASP N N -5.283 2.862 7.493 1.00 . A A . 47 ASP N 1 1 20 23919 1 1 47 ASP O O -3.833 5.120 5.636 1.00 . A A . 47 ASP O 1 1 20 23920 1 1 47 ASP OD1 O -8.558 4.361 6.470 1.00 . A A . 47 ASP OD1 1 1 20 23921 1 1 47 ASP OD2 O -7.991 4.917 8.568 1.00 . A A . 47 ASP OD2 1 1 20 23922 1 1 48 ALA C C -3.336 2.025 2.738 1.00 . A A . 48 ALA C 1 1 20 23923 1 1 48 ALA CA C -3.091 3.185 3.691 1.00 . A A . 48 ALA CA 1 1 20 23924 1 1 48 ALA CB C -1.642 3.231 4.178 1.00 . A A . 48 ALA CB 1 1 20 23925 1 1 48 ALA H H -4.484 2.149 4.905 1.00 . A A . 48 ALA H 1 1 20 23926 1 1 48 ALA HA H -3.310 4.115 3.161 1.00 . A A . 48 ALA HA 1 1 20 23927 1 1 48 ALA HB1 H -1.475 4.133 4.767 1.00 . A A . 48 ALA HB1 1 1 20 23928 1 1 48 ALA HB2 H -1.400 2.361 4.786 1.00 . A A . 48 ALA HB2 1 1 20 23929 1 1 48 ALA HB3 H -0.996 3.253 3.301 1.00 . A A . 48 ALA HB3 1 1 20 23930 1 1 48 ALA N N -4.010 3.034 4.799 1.00 . A A . 48 ALA N 1 1 20 23931 1 1 48 ALA O O -3.812 2.224 1.625 1.00 . A A . 48 ALA O 1 1 20 23932 1 1 49 CYS C C -4.609 -1.012 2.724 1.00 . A A . 49 CYS C 1 1 20 23933 1 1 49 CYS CA C -3.243 -0.391 2.393 1.00 . A A . 49 CYS CA 1 1 20 23934 1 1 49 CYS CB C -2.094 -1.359 2.587 1.00 . A A . 49 CYS CB 1 1 20 23935 1 1 49 CYS H H -2.677 0.692 4.118 1.00 . A A . 49 CYS H 1 1 20 23936 1 1 49 CYS HA H -3.253 -0.109 1.344 1.00 . A A . 49 CYS HA 1 1 20 23937 1 1 49 CYS HB2 H -2.260 -1.881 3.515 1.00 . A A . 49 CYS HB2 1 1 20 23938 1 1 49 CYS HB3 H -2.096 -2.096 1.784 1.00 . A A . 49 CYS HB3 1 1 20 23939 1 1 49 CYS N N -3.055 0.802 3.192 1.00 . A A . 49 CYS N 1 1 20 23940 1 1 49 CYS O O -5.487 -1.117 1.865 1.00 . A A . 49 CYS O 1 1 20 23941 1 1 49 CYS SG S -0.426 -0.629 2.751 1.00 . A A . 49 CYS SG 1 1 20 23942 1 1 50 LYS C C -7.211 -1.257 4.608 1.00 . A A . 50 LYS C 1 1 20 23943 1 1 50 LYS CA C -6.010 -2.194 4.387 1.00 . A A . 50 LYS CA 1 1 20 23944 1 1 50 LYS CB C -5.642 -3.010 5.637 1.00 . A A . 50 LYS CB 1 1 20 23945 1 1 50 LYS CD C -6.340 -4.806 7.301 1.00 . A A . 50 LYS CD 1 1 20 23946 1 1 50 LYS CE C -4.970 -5.492 7.455 1.00 . A A . 50 LYS CE 1 1 20 23947 1 1 50 LYS CG C -6.612 -4.167 5.928 1.00 . A A . 50 LYS CG 1 1 20 23948 1 1 50 LYS H H -4.109 -1.282 4.668 1.00 . A A . 50 LYS H 1 1 20 23949 1 1 50 LYS HA H -6.265 -2.898 3.595 1.00 . A A . 50 LYS HA 1 1 20 23950 1 1 50 LYS HB2 H -4.644 -3.426 5.494 1.00 . A A . 50 LYS HB2 1 1 20 23951 1 1 50 LYS HB3 H -5.625 -2.329 6.486 1.00 . A A . 50 LYS HB3 1 1 20 23952 1 1 50 LYS HD2 H -6.400 -4.010 8.050 1.00 . A A . 50 LYS HD2 1 1 20 23953 1 1 50 LYS HD3 H -7.138 -5.517 7.524 1.00 . A A . 50 LYS HD3 1 1 20 23954 1 1 50 LYS HE2 H -4.165 -4.793 7.231 1.00 . A A . 50 LYS HE2 1 1 20 23955 1 1 50 LYS HE3 H -4.869 -5.803 8.496 1.00 . A A . 50 LYS HE3 1 1 20 23956 1 1 50 LYS HG2 H -7.625 -3.763 5.957 1.00 . A A . 50 LYS HG2 1 1 20 23957 1 1 50 LYS HG3 H -6.567 -4.904 5.127 1.00 . A A . 50 LYS HG3 1 1 20 23958 1 1 50 LYS HZ1 H -3.894 -7.092 6.779 1.00 . A A . 50 LYS HZ1 1 1 20 23959 1 1 50 LYS HZ2 H -5.521 -7.368 6.812 1.00 . A A . 50 LYS HZ2 1 1 20 23960 1 1 50 LYS HZ3 H -4.859 -6.423 5.630 1.00 . A A . 50 LYS HZ3 1 1 20 23961 1 1 50 LYS N N -4.828 -1.441 3.971 1.00 . A A . 50 LYS N 1 1 20 23962 1 1 50 LYS NZ N -4.805 -6.686 6.602 1.00 . A A . 50 LYS NZ 1 1 20 23963 1 1 50 LYS O O -7.832 -1.259 5.665 1.00 . A A . 50 LYS O 1 1 20 23964 1 1 51 THR C C -9.133 0.633 2.098 1.00 . A A . 51 THR C 1 1 20 23965 1 1 51 THR CA C -8.616 0.511 3.539 1.00 . A A . 51 THR CA 1 1 20 23966 1 1 51 THR CB C -8.126 1.843 4.146 1.00 . A A . 51 THR CB 1 1 20 23967 1 1 51 THR CG2 C -7.163 2.613 3.226 1.00 . A A . 51 THR CG2 1 1 20 23968 1 1 51 THR H H -7.004 -0.654 2.738 1.00 . A A . 51 THR H 1 1 20 23969 1 1 51 THR HA H -9.440 0.154 4.159 1.00 . A A . 51 THR HA 1 1 20 23970 1 1 51 THR HB H -7.626 1.599 5.083 1.00 . A A . 51 THR HB 1 1 20 23971 1 1 51 THR HG1 H -8.956 3.288 5.196 1.00 . A A . 51 THR HG1 1 1 20 23972 1 1 51 THR HG21 H -6.292 2.002 2.993 1.00 . A A . 51 THR HG21 1 1 20 23973 1 1 51 THR HG22 H -7.664 2.908 2.305 1.00 . A A . 51 THR HG22 1 1 20 23974 1 1 51 THR HG23 H -6.838 3.535 3.703 1.00 . A A . 51 THR HG23 1 1 20 23975 1 1 51 THR N N -7.549 -0.491 3.573 1.00 . A A . 51 THR N 1 1 20 23976 1 1 51 THR O O -10.334 0.613 1.852 1.00 . A A . 51 THR O 1 1 20 23977 1 1 51 THR OG1 O -9.214 2.683 4.471 1.00 . A A . 51 THR OG1 1 1 20 23978 1 1 52 CYS C C -9.001 -0.753 -0.708 1.00 . A A . 52 CYS C 1 1 20 23979 1 1 52 CYS CA C -8.568 0.644 -0.288 1.00 . A A . 52 CYS CA 1 1 20 23980 1 1 52 CYS CB C -7.372 1.040 -1.097 1.00 . A A . 52 CYS CB 1 1 20 23981 1 1 52 CYS H H -7.241 0.750 1.359 1.00 . A A . 52 CYS H 1 1 20 23982 1 1 52 CYS HA H -9.392 1.332 -0.489 1.00 . A A . 52 CYS HA 1 1 20 23983 1 1 52 CYS HB2 H -6.447 0.715 -0.617 1.00 . A A . 52 CYS HB2 1 1 20 23984 1 1 52 CYS HB3 H -7.440 0.541 -2.062 1.00 . A A . 52 CYS HB3 1 1 20 23985 1 1 52 CYS N N -8.220 0.670 1.123 1.00 . A A . 52 CYS N 1 1 20 23986 1 1 52 CYS O O -10.116 -0.952 -1.198 1.00 . A A . 52 CYS O 1 1 20 23987 1 1 52 CYS SG S -7.332 2.821 -1.404 1.00 . A A . 52 CYS SG 1 1 20 23988 1 1 53 HIS C C -9.702 -3.569 -0.302 1.00 . A A . 53 HIS C 1 1 20 23989 1 1 53 HIS CA C -8.417 -3.100 -0.985 1.00 . A A . 53 HIS CA 1 1 20 23990 1 1 53 HIS CB C -7.276 -4.091 -0.724 1.00 . A A . 53 HIS CB 1 1 20 23991 1 1 53 HIS CD2 C -5.306 -3.331 -2.202 1.00 . A A . 53 HIS CD2 1 1 20 23992 1 1 53 HIS CE1 C -4.142 -2.315 -0.673 1.00 . A A . 53 HIS CE1 1 1 20 23993 1 1 53 HIS CG C -5.910 -3.540 -0.990 1.00 . A A . 53 HIS CG 1 1 20 23994 1 1 53 HIS H H -7.178 -1.512 -0.240 1.00 . A A . 53 HIS H 1 1 20 23995 1 1 53 HIS HA H -8.567 -3.060 -2.062 1.00 . A A . 53 HIS HA 1 1 20 23996 1 1 53 HIS HB2 H -7.314 -4.426 0.311 1.00 . A A . 53 HIS HB2 1 1 20 23997 1 1 53 HIS HB3 H -7.430 -4.973 -1.347 1.00 . A A . 53 HIS HB3 1 1 20 23998 1 1 53 HIS HD1 H -5.454 -2.596 0.885 1.00 . A A . 53 HIS HD1 1 1 20 23999 1 1 53 HIS HD2 H -5.644 -3.609 -3.184 1.00 . A A . 53 HIS HD2 1 1 20 24000 1 1 53 HIS HE1 H -3.438 -1.662 -0.212 1.00 . A A . 53 HIS HE1 1 1 20 24001 1 1 53 HIS N N -8.111 -1.742 -0.552 1.00 . A A . 53 HIS N 1 1 20 24002 1 1 53 HIS ND1 N -5.167 -2.895 -0.041 1.00 . A A . 53 HIS ND1 1 1 20 24003 1 1 53 HIS NE2 N -4.176 -2.543 -1.984 1.00 . A A . 53 HIS NE2 1 1 20 24004 1 1 53 HIS O O -10.482 -4.306 -0.889 1.00 . A A . 53 HIS O 1 1 20 24005 1 1 54 LYS C C -12.454 -3.063 0.897 1.00 . A A . 54 LYS C 1 1 20 24006 1 1 54 LYS CA C -11.164 -3.336 1.667 1.00 . A A . 54 LYS CA 1 1 20 24007 1 1 54 LYS CB C -11.184 -2.519 2.958 1.00 . A A . 54 LYS CB 1 1 20 24008 1 1 54 LYS CD C -10.844 -4.466 4.535 1.00 . A A . 54 LYS CD 1 1 20 24009 1 1 54 LYS CE C -12.352 -4.536 4.870 1.00 . A A . 54 LYS CE 1 1 20 24010 1 1 54 LYS CG C -10.323 -3.108 4.060 1.00 . A A . 54 LYS CG 1 1 20 24011 1 1 54 LYS H H -9.280 -2.438 1.313 1.00 . A A . 54 LYS H 1 1 20 24012 1 1 54 LYS HA H -11.167 -4.391 1.918 1.00 . A A . 54 LYS HA 1 1 20 24013 1 1 54 LYS HB2 H -10.849 -1.511 2.757 1.00 . A A . 54 LYS HB2 1 1 20 24014 1 1 54 LYS HB3 H -12.191 -2.456 3.352 1.00 . A A . 54 LYS HB3 1 1 20 24015 1 1 54 LYS HD2 H -10.570 -5.209 3.796 1.00 . A A . 54 LYS HD2 1 1 20 24016 1 1 54 LYS HD3 H -10.278 -4.666 5.444 1.00 . A A . 54 LYS HD3 1 1 20 24017 1 1 54 LYS HE2 H -12.490 -5.335 5.603 1.00 . A A . 54 LYS HE2 1 1 20 24018 1 1 54 LYS HE3 H -12.671 -3.605 5.340 1.00 . A A . 54 LYS HE3 1 1 20 24019 1 1 54 LYS HG2 H -9.292 -3.199 3.720 1.00 . A A . 54 LYS HG2 1 1 20 24020 1 1 54 LYS HG3 H -10.345 -2.409 4.893 1.00 . A A . 54 LYS HG3 1 1 20 24021 1 1 54 LYS HZ1 H -14.188 -4.928 4.019 1.00 . A A . 54 LYS HZ1 1 1 20 24022 1 1 54 LYS HZ2 H -13.211 -4.152 2.972 1.00 . A A . 54 LYS HZ2 1 1 20 24023 1 1 54 LYS HZ3 H -12.967 -5.732 3.289 1.00 . A A . 54 LYS HZ3 1 1 20 24024 1 1 54 LYS N N -9.943 -3.088 0.923 1.00 . A A . 54 LYS N 1 1 20 24025 1 1 54 LYS NZ N -13.229 -4.853 3.710 1.00 . A A . 54 LYS NZ 1 1 20 24026 1 1 54 LYS O O -13.462 -3.666 1.272 1.00 . A A . 54 LYS O 1 1 20 24027 1 1 55 SER C C -13.412 -2.362 -2.362 1.00 . A A . 55 SER C 1 1 20 24028 1 1 55 SER CA C -13.599 -1.852 -0.929 1.00 . A A . 55 SER CA 1 1 20 24029 1 1 55 SER CB C -13.837 -0.339 -0.905 1.00 . A A . 55 SER CB 1 1 20 24030 1 1 55 SER H H -11.583 -1.667 -0.305 1.00 . A A . 55 SER H 1 1 20 24031 1 1 55 SER HA H -14.495 -2.334 -0.537 1.00 . A A . 55 SER HA 1 1 20 24032 1 1 55 SER HB2 H -12.976 0.175 -1.339 1.00 . A A . 55 SER HB2 1 1 20 24033 1 1 55 SER HB3 H -14.723 -0.096 -1.494 1.00 . A A . 55 SER HB3 1 1 20 24034 1 1 55 SER HG H -14.758 -0.380 0.817 1.00 . A A . 55 SER HG 1 1 20 24035 1 1 55 SER N N -12.444 -2.165 -0.093 1.00 . A A . 55 SER N 1 1 20 24036 1 1 55 SER O O -14.142 -1.945 -3.257 1.00 . A A . 55 SER O 1 1 20 24037 1 1 55 SER OG O -14.016 0.092 0.431 1.00 . A A . 55 SER OG 1 1 20 24038 1 1 56 ASN C C -12.232 -5.421 -3.748 1.00 . A A . 56 ASN C 1 1 20 24039 1 1 56 ASN CA C -12.149 -3.892 -3.857 1.00 . A A . 56 ASN CA 1 1 20 24040 1 1 56 ASN CB C -10.757 -3.471 -4.349 1.00 . A A . 56 ASN CB 1 1 20 24041 1 1 56 ASN CG C -10.701 -2.026 -4.846 1.00 . A A . 56 ASN CG 1 1 20 24042 1 1 56 ASN H H -11.867 -3.516 -1.787 1.00 . A A . 56 ASN H 1 1 20 24043 1 1 56 ASN HA H -12.876 -3.588 -4.611 1.00 . A A . 56 ASN HA 1 1 20 24044 1 1 56 ASN HB2 H -10.020 -3.641 -3.570 1.00 . A A . 56 ASN HB2 1 1 20 24045 1 1 56 ASN HB3 H -10.493 -4.106 -5.196 1.00 . A A . 56 ASN HB3 1 1 20 24046 1 1 56 ASN HD21 H -10.071 -1.232 -3.037 1.00 . A A . 56 ASN HD21 1 1 20 24047 1 1 56 ASN HD22 H -10.298 -0.121 -4.365 1.00 . A A . 56 ASN HD22 1 1 20 24048 1 1 56 ASN N N -12.445 -3.260 -2.575 1.00 . A A . 56 ASN N 1 1 20 24049 1 1 56 ASN ND2 N -10.303 -1.065 -4.013 1.00 . A A . 56 ASN ND2 1 1 20 24050 1 1 56 ASN O O -12.636 -6.078 -4.703 1.00 . A A . 56 ASN O 1 1 20 24051 1 1 56 ASN OD1 O -10.993 -1.765 -6.007 1.00 . A A . 56 ASN OD1 1 1 20 24052 1 1 57 ASN C C -11.630 -7.759 -0.922 1.00 . A A . 57 ASN C 1 1 20 24053 1 1 57 ASN CA C -11.686 -7.442 -2.422 1.00 . A A . 57 ASN CA 1 1 20 24054 1 1 57 ASN CB C -10.436 -7.958 -3.154 1.00 . A A . 57 ASN CB 1 1 20 24055 1 1 57 ASN CG C -9.173 -7.175 -2.795 1.00 . A A . 57 ASN CG 1 1 20 24056 1 1 57 ASN H H -11.495 -5.448 -1.836 1.00 . A A . 57 ASN H 1 1 20 24057 1 1 57 ASN HA H -12.564 -7.941 -2.835 1.00 . A A . 57 ASN HA 1 1 20 24058 1 1 57 ASN HB2 H -10.271 -9.008 -2.912 1.00 . A A . 57 ASN HB2 1 1 20 24059 1 1 57 ASN HB3 H -10.612 -7.892 -4.229 1.00 . A A . 57 ASN HB3 1 1 20 24060 1 1 57 ASN HD21 H -8.903 -6.590 -4.727 1.00 . A A . 57 ASN HD21 1 1 20 24061 1 1 57 ASN HD22 H -7.680 -6.066 -3.593 1.00 . A A . 57 ASN HD22 1 1 20 24062 1 1 57 ASN N N -11.821 -6.006 -2.616 1.00 . A A . 57 ASN N 1 1 20 24063 1 1 57 ASN ND2 N -8.551 -6.535 -3.783 1.00 . A A . 57 ASN ND2 1 1 20 24064 1 1 57 ASN O O -11.546 -6.859 -0.087 1.00 . A A . 57 ASN O 1 1 20 24065 1 1 57 ASN OD1 O -8.756 -7.135 -1.642 1.00 . A A . 57 ASN OD1 1 1 20 24066 1 1 58 GLY C C -10.062 -9.662 1.125 1.00 . A A . 58 GLY C 1 1 20 24067 1 1 58 GLY CA C -11.551 -9.513 0.796 1.00 . A A . 58 GLY CA 1 1 20 24068 1 1 58 GLY H H -11.755 -9.742 -1.305 1.00 . A A . 58 GLY H 1 1 20 24069 1 1 58 GLY HA2 H -12.031 -8.811 1.478 1.00 . A A . 58 GLY HA2 1 1 20 24070 1 1 58 GLY HA3 H -12.033 -10.485 0.897 1.00 . A A . 58 GLY HA3 1 1 20 24071 1 1 58 GLY N N -11.711 -9.047 -0.575 1.00 . A A . 58 GLY N 1 1 20 24072 1 1 58 GLY O O -9.254 -9.800 0.212 1.00 . A A . 58 GLY O 1 1 20 24073 1 1 59 PRO C C -7.456 -10.891 2.640 1.00 . A A . 59 PRO C 1 1 20 24074 1 1 59 PRO CA C -8.277 -9.603 2.844 1.00 . A A . 59 PRO CA 1 1 20 24075 1 1 59 PRO CB C -8.368 -9.194 4.323 1.00 . A A . 59 PRO CB 1 1 20 24076 1 1 59 PRO CD C -10.571 -9.656 3.554 1.00 . A A . 59 PRO CD 1 1 20 24077 1 1 59 PRO CG C -9.675 -9.845 4.777 1.00 . A A . 59 PRO CG 1 1 20 24078 1 1 59 PRO HA H -7.768 -8.814 2.291 1.00 . A A . 59 PRO HA 1 1 20 24079 1 1 59 PRO HB2 H -7.519 -9.512 4.929 1.00 . A A . 59 PRO HB2 1 1 20 24080 1 1 59 PRO HB3 H -8.476 -8.111 4.386 1.00 . A A . 59 PRO HB3 1 1 20 24081 1 1 59 PRO HD2 H -11.325 -10.443 3.507 1.00 . A A . 59 PRO HD2 1 1 20 24082 1 1 59 PRO HD3 H -11.051 -8.678 3.610 1.00 . A A . 59 PRO HD3 1 1 20 24083 1 1 59 PRO HG2 H -9.511 -10.910 4.953 1.00 . A A . 59 PRO HG2 1 1 20 24084 1 1 59 PRO HG3 H -10.089 -9.375 5.672 1.00 . A A . 59 PRO HG3 1 1 20 24085 1 1 59 PRO N N -9.672 -9.692 2.411 1.00 . A A . 59 PRO N 1 1 20 24086 1 1 59 PRO O O -6.536 -11.157 3.416 1.00 . A A . 59 PRO O 1 1 20 24087 1 1 60 THR C C -6.418 -13.797 2.039 1.00 . A A . 60 THR C 1 1 20 24088 1 1 60 THR CA C -6.966 -12.764 1.038 1.00 . A A . 60 THR CA 1 1 20 24089 1 1 60 THR CB C -5.894 -12.163 0.104 1.00 . A A . 60 THR CB 1 1 20 24090 1 1 60 THR CG2 C -6.522 -11.691 -1.212 1.00 . A A . 60 THR CG2 1 1 20 24091 1 1 60 THR H H -8.513 -11.366 1.009 1.00 . A A . 60 THR H 1 1 20 24092 1 1 60 THR HA H -7.640 -13.344 0.407 1.00 . A A . 60 THR HA 1 1 20 24093 1 1 60 THR HB H -5.139 -12.916 -0.133 1.00 . A A . 60 THR HB 1 1 20 24094 1 1 60 THR HG1 H -4.859 -11.356 1.516 1.00 . A A . 60 THR HG1 1 1 20 24095 1 1 60 THR HG21 H -7.011 -12.522 -1.719 1.00 . A A . 60 THR HG21 1 1 20 24096 1 1 60 THR HG22 H -7.251 -10.903 -1.024 1.00 . A A . 60 THR HG22 1 1 20 24097 1 1 60 THR HG23 H -5.741 -11.295 -1.862 1.00 . A A . 60 THR HG23 1 1 20 24098 1 1 60 THR N N -7.776 -11.691 1.614 1.00 . A A . 60 THR N 1 1 20 24099 1 1 60 THR O O -5.580 -14.618 1.678 1.00 . A A . 60 THR O 1 1 20 24100 1 1 60 THR OG1 O -5.271 -11.045 0.700 1.00 . A A . 60 THR OG1 1 1 20 24101 1 1 61 LYS C C -4.997 -14.274 4.665 1.00 . A A . 61 LYS C 1 1 20 24102 1 1 61 LYS CA C -6.463 -14.629 4.373 1.00 . A A . 61 LYS CA 1 1 20 24103 1 1 61 LYS CB C -6.681 -16.127 4.109 1.00 . A A . 61 LYS CB 1 1 20 24104 1 1 61 LYS CD C -7.899 -17.030 2.106 1.00 . A A . 61 LYS CD 1 1 20 24105 1 1 61 LYS CE C -9.172 -17.681 1.544 1.00 . A A . 61 LYS CE 1 1 20 24106 1 1 61 LYS CG C -8.068 -16.460 3.523 1.00 . A A . 61 LYS CG 1 1 20 24107 1 1 61 LYS H H -7.583 -13.062 3.490 1.00 . A A . 61 LYS H 1 1 20 24108 1 1 61 LYS HA H -7.048 -14.359 5.253 1.00 . A A . 61 LYS HA 1 1 20 24109 1 1 61 LYS HB2 H -5.895 -16.487 3.444 1.00 . A A . 61 LYS HB2 1 1 20 24110 1 1 61 LYS HB3 H -6.564 -16.652 5.059 1.00 . A A . 61 LYS HB3 1 1 20 24111 1 1 61 LYS HD2 H -7.534 -16.242 1.446 1.00 . A A . 61 LYS HD2 1 1 20 24112 1 1 61 LYS HD3 H -7.131 -17.806 2.140 1.00 . A A . 61 LYS HD3 1 1 20 24113 1 1 61 LYS HE2 H -8.930 -18.137 0.582 1.00 . A A . 61 LYS HE2 1 1 20 24114 1 1 61 LYS HE3 H -9.500 -18.475 2.220 1.00 . A A . 61 LYS HE3 1 1 20 24115 1 1 61 LYS HG2 H -8.530 -17.212 4.163 1.00 . A A . 61 LYS HG2 1 1 20 24116 1 1 61 LYS HG3 H -8.703 -15.570 3.506 1.00 . A A . 61 LYS HG3 1 1 20 24117 1 1 61 LYS HZ1 H -11.077 -17.195 0.960 1.00 . A A . 61 LYS HZ1 1 1 20 24118 1 1 61 LYS HZ2 H -10.537 -16.302 2.230 1.00 . A A . 61 LYS HZ2 1 1 20 24119 1 1 61 LYS HZ3 H -9.989 -15.990 0.705 1.00 . A A . 61 LYS HZ3 1 1 20 24120 1 1 61 LYS N N -6.953 -13.817 3.264 1.00 . A A . 61 LYS N 1 1 20 24121 1 1 61 LYS NZ N -10.274 -16.716 1.348 1.00 . A A . 61 LYS NZ 1 1 20 24122 1 1 61 LYS O O -4.152 -15.147 4.837 1.00 . A A . 61 LYS O 1 1 20 24123 1 1 62 CYS C C -2.873 -12.504 3.221 1.00 . A A . 62 CYS C 1 1 20 24124 1 1 62 CYS CA C -3.404 -12.349 4.645 1.00 . A A . 62 CYS CA 1 1 20 24125 1 1 62 CYS CB C -2.433 -12.833 5.708 1.00 . A A . 62 CYS CB 1 1 20 24126 1 1 62 CYS H H -5.492 -12.381 4.360 1.00 . A A . 62 CYS H 1 1 20 24127 1 1 62 CYS HA H -3.582 -11.291 4.792 1.00 . A A . 62 CYS HA 1 1 20 24128 1 1 62 CYS HB2 H -2.100 -13.843 5.468 1.00 . A A . 62 CYS HB2 1 1 20 24129 1 1 62 CYS HB3 H -1.562 -12.178 5.703 1.00 . A A . 62 CYS HB3 1 1 20 24130 1 1 62 CYS N N -4.728 -12.964 4.690 1.00 . A A . 62 CYS N 1 1 20 24131 1 1 62 CYS O O -3.663 -12.439 2.286 1.00 . A A . 62 CYS O 1 1 20 24132 1 1 62 CYS SG S -3.090 -12.860 7.400 1.00 . A A . 62 CYS SG 1 1 20 24133 1 1 63 GLY C C -0.864 -11.940 0.740 1.00 . A A . 63 GLY C 1 1 20 24134 1 1 63 GLY CA C -1.003 -13.090 1.736 1.00 . A A . 63 GLY CA 1 1 20 24135 1 1 63 GLY H H -0.941 -12.617 3.810 1.00 . A A . 63 GLY H 1 1 20 24136 1 1 63 GLY HA2 H -0.018 -13.522 1.914 1.00 . A A . 63 GLY HA2 1 1 20 24137 1 1 63 GLY HA3 H -1.636 -13.861 1.294 1.00 . A A . 63 GLY HA3 1 1 20 24138 1 1 63 GLY N N -1.562 -12.669 3.019 1.00 . A A . 63 GLY N 1 1 20 24139 1 1 63 GLY O O 0.196 -11.766 0.150 1.00 . A A . 63 GLY O 1 1 20 24140 1 1 64 GLY C C -0.774 -9.260 -0.576 1.00 . A A . 64 GLY C 1 1 20 24141 1 1 64 GLY CA C -2.065 -10.049 -0.365 1.00 . A A . 64 GLY CA 1 1 20 24142 1 1 64 GLY H H -2.772 -11.431 1.065 1.00 . A A . 64 GLY H 1 1 20 24143 1 1 64 GLY HA2 H -2.435 -10.419 -1.321 1.00 . A A . 64 GLY HA2 1 1 20 24144 1 1 64 GLY HA3 H -2.806 -9.371 0.066 1.00 . A A . 64 GLY HA3 1 1 20 24145 1 1 64 GLY N N -1.934 -11.160 0.567 1.00 . A A . 64 GLY N 1 1 20 24146 1 1 64 GLY O O -0.372 -8.996 -1.706 1.00 . A A . 64 GLY O 1 1 20 24147 1 1 65 CYS C C 2.213 -8.470 1.015 1.00 . A A . 65 CYS C 1 1 20 24148 1 1 65 CYS CA C 0.893 -7.843 0.559 1.00 . A A . 65 CYS CA 1 1 20 24149 1 1 65 CYS CB C 0.434 -6.716 1.449 1.00 . A A . 65 CYS CB 1 1 20 24150 1 1 65 CYS H H -0.583 -9.109 1.407 1.00 . A A . 65 CYS H 1 1 20 24151 1 1 65 CYS HA H 1.060 -7.438 -0.438 1.00 . A A . 65 CYS HA 1 1 20 24152 1 1 65 CYS HB2 H 0.485 -7.064 2.478 1.00 . A A . 65 CYS HB2 1 1 20 24153 1 1 65 CYS HB3 H 1.072 -5.844 1.337 1.00 . A A . 65 CYS HB3 1 1 20 24154 1 1 65 CYS N N -0.161 -8.847 0.534 1.00 . A A . 65 CYS N 1 1 20 24155 1 1 65 CYS O O 3.239 -8.312 0.354 1.00 . A A . 65 CYS O 1 1 20 24156 1 1 65 CYS SG S -1.279 -6.251 1.018 1.00 . A A . 65 CYS SG 1 1 20 24157 1 1 66 HIS C C 3.630 -11.095 1.772 1.00 . A A . 66 HIS C 1 1 20 24158 1 1 66 HIS CA C 3.329 -9.904 2.679 1.00 . A A . 66 HIS CA 1 1 20 24159 1 1 66 HIS CB C 3.045 -10.426 4.096 1.00 . A A . 66 HIS CB 1 1 20 24160 1 1 66 HIS CD2 C 1.593 -8.899 5.559 1.00 . A A . 66 HIS CD2 1 1 20 24161 1 1 66 HIS CE1 C 3.143 -7.805 6.637 1.00 . A A . 66 HIS CE1 1 1 20 24162 1 1 66 HIS CG C 2.807 -9.357 5.128 1.00 . A A . 66 HIS CG 1 1 20 24163 1 1 66 HIS H H 1.286 -9.311 2.594 1.00 . A A . 66 HIS H 1 1 20 24164 1 1 66 HIS HA H 4.189 -9.240 2.729 1.00 . A A . 66 HIS HA 1 1 20 24165 1 1 66 HIS HB2 H 2.192 -11.102 4.044 1.00 . A A . 66 HIS HB2 1 1 20 24166 1 1 66 HIS HB3 H 3.922 -11.012 4.385 1.00 . A A . 66 HIS HB3 1 1 20 24167 1 1 66 HIS HD1 H 4.779 -8.754 5.708 1.00 . A A . 66 HIS HD1 1 1 20 24168 1 1 66 HIS HD2 H 0.615 -9.175 5.217 1.00 . A A . 66 HIS HD2 1 1 20 24169 1 1 66 HIS HE1 H 3.617 -7.086 7.286 1.00 . A A . 66 HIS HE1 1 1 20 24170 1 1 66 HIS N N 2.178 -9.186 2.146 1.00 . A A . 66 HIS N 1 1 20 24171 1 1 66 HIS ND1 N 3.772 -8.712 5.862 1.00 . A A . 66 HIS ND1 1 1 20 24172 1 1 66 HIS NE2 N 1.813 -7.896 6.500 1.00 . A A . 66 HIS NE2 1 1 20 24173 1 1 66 HIS O O 2.823 -12.024 1.729 1.00 . A A . 66 HIS O 1 1 20 24174 1 1 67 ILE C C 5.722 -13.358 1.045 1.00 . A A . 67 ILE C 1 1 20 24175 1 1 67 ILE CA C 5.165 -12.202 0.208 1.00 . A A . 67 ILE CA 1 1 20 24176 1 1 67 ILE CB C 6.120 -11.677 -0.886 1.00 . A A . 67 ILE CB 1 1 20 24177 1 1 67 ILE CD1 C 4.178 -10.724 -2.308 1.00 . A A . 67 ILE CD1 1 1 20 24178 1 1 67 ILE CG1 C 5.527 -10.462 -1.625 1.00 . A A . 67 ILE CG1 1 1 20 24179 1 1 67 ILE CG2 C 6.485 -12.761 -1.916 1.00 . A A . 67 ILE CG2 1 1 20 24180 1 1 67 ILE H H 5.472 -10.391 1.319 1.00 . A A . 67 ILE H 1 1 20 24181 1 1 67 ILE HA H 4.273 -12.582 -0.291 1.00 . A A . 67 ILE HA 1 1 20 24182 1 1 67 ILE HB H 7.044 -11.343 -0.409 1.00 . A A . 67 ILE HB 1 1 20 24183 1 1 67 ILE HD11 H 4.256 -11.554 -3.010 1.00 . A A . 67 ILE HD11 1 1 20 24184 1 1 67 ILE HD12 H 3.405 -10.939 -1.571 1.00 . A A . 67 ILE HD12 1 1 20 24185 1 1 67 ILE HD13 H 3.880 -9.833 -2.860 1.00 . A A . 67 ILE HD13 1 1 20 24186 1 1 67 ILE HG12 H 5.410 -9.627 -0.934 1.00 . A A . 67 ILE HG12 1 1 20 24187 1 1 67 ILE HG13 H 6.235 -10.157 -2.395 1.00 . A A . 67 ILE HG13 1 1 20 24188 1 1 67 ILE HG21 H 6.984 -12.308 -2.772 1.00 . A A . 67 ILE HG21 1 1 20 24189 1 1 67 ILE HG22 H 7.171 -13.491 -1.489 1.00 . A A . 67 ILE HG22 1 1 20 24190 1 1 67 ILE HG23 H 5.592 -13.280 -2.259 1.00 . A A . 67 ILE HG23 1 1 20 24191 1 1 67 ILE N N 4.788 -11.116 1.112 1.00 . A A . 67 ILE N 1 1 20 24192 1 1 67 ILE O O 6.881 -13.747 0.909 1.00 . A A . 67 ILE O 1 1 20 24193 1 1 68 LYS C C 6.407 -14.057 3.776 1.00 . A A . 68 LYS C 1 1 20 24194 1 1 68 LYS CA C 5.230 -14.720 3.045 1.00 . A A . 68 LYS CA 1 1 20 24195 1 1 68 LYS CB C 5.434 -16.156 2.550 1.00 . A A . 68 LYS CB 1 1 20 24196 1 1 68 LYS CD C 7.045 -17.812 3.475 1.00 . A A . 68 LYS CD 1 1 20 24197 1 1 68 LYS CE C 6.987 -18.836 2.331 1.00 . A A . 68 LYS CE 1 1 20 24198 1 1 68 LYS CG C 5.682 -17.157 3.689 1.00 . A A . 68 LYS CG 1 1 20 24199 1 1 68 LYS H H 3.930 -13.512 1.937 1.00 . A A . 68 LYS H 1 1 20 24200 1 1 68 LYS HA H 4.390 -14.719 3.740 1.00 . A A . 68 LYS HA 1 1 20 24201 1 1 68 LYS HB2 H 4.531 -16.465 2.022 1.00 . A A . 68 LYS HB2 1 1 20 24202 1 1 68 LYS HB3 H 6.255 -16.150 1.835 1.00 . A A . 68 LYS HB3 1 1 20 24203 1 1 68 LYS HD2 H 7.741 -16.998 3.250 1.00 . A A . 68 LYS HD2 1 1 20 24204 1 1 68 LYS HD3 H 7.351 -18.287 4.407 1.00 . A A . 68 LYS HD3 1 1 20 24205 1 1 68 LYS HE2 H 6.392 -19.694 2.651 1.00 . A A . 68 LYS HE2 1 1 20 24206 1 1 68 LYS HE3 H 6.505 -18.395 1.458 1.00 . A A . 68 LYS HE3 1 1 20 24207 1 1 68 LYS HG2 H 5.699 -16.629 4.645 1.00 . A A . 68 LYS HG2 1 1 20 24208 1 1 68 LYS HG3 H 4.888 -17.904 3.727 1.00 . A A . 68 LYS HG3 1 1 20 24209 1 1 68 LYS HZ1 H 8.804 -19.719 2.720 1.00 . A A . 68 LYS HZ1 1 1 20 24210 1 1 68 LYS HZ2 H 8.262 -19.962 1.184 1.00 . A A . 68 LYS HZ2 1 1 20 24211 1 1 68 LYS HZ3 H 8.877 -18.498 1.615 1.00 . A A . 68 LYS HZ3 1 1 20 24212 1 1 68 LYS N N 4.861 -13.894 1.917 1.00 . A A . 68 LYS N 1 1 20 24213 1 1 68 LYS NZ N 8.334 -19.290 1.936 1.00 . A A . 68 LYS NZ 1 1 20 24214 1 1 68 LYS O O 7.321 -14.782 4.224 1.00 . A A . 68 LYS O 1 1 20 24215 1 1 68 LYS OXT O 6.340 -12.813 3.891 1.00 . A A . 68 LYS OXT 1 1 20 24216 2 2 1 HEC C1A C 7.681 7.972 -3.123 1.00 . B A . 69 HEC C1A 1 1 20 24217 2 2 1 HEC C1B C 5.228 9.150 -6.400 1.00 . B A . 69 HEC C1B 1 1 20 24218 2 2 1 HEC C1C C 2.131 6.533 -5.019 1.00 . B A . 69 HEC C1C 1 1 20 24219 2 2 1 HEC C1D C 4.406 5.829 -1.504 1.00 . B A . 69 HEC C1D 1 1 20 24220 2 2 1 HEC C2A C 8.836 8.757 -3.492 1.00 . B A . 69 HEC C2A 1 1 20 24221 2 2 1 HEC C2B C 4.562 9.571 -7.612 1.00 . B A . 69 HEC C2B 1 1 20 24222 2 2 1 HEC C2C C 0.941 5.826 -4.605 1.00 . B A . 69 HEC C2C 1 1 20 24223 2 2 1 HEC C2D C 5.097 5.346 -0.339 1.00 . B A . 69 HEC C2D 1 1 20 24224 2 2 1 HEC C3A C 8.469 9.515 -4.575 1.00 . B A . 69 HEC C3A 1 1 20 24225 2 2 1 HEC C3B C 3.359 8.906 -7.667 1.00 . B A . 69 HEC C3B 1 1 20 24226 2 2 1 HEC C3C C 1.157 5.401 -3.311 1.00 . B A . 69 HEC C3C 1 1 20 24227 2 2 1 HEC C3D C 6.404 5.749 -0.437 1.00 . B A . 69 HEC C3D 1 1 20 24228 2 2 1 HEC C4A C 7.113 9.149 -4.906 1.00 . B A . 69 HEC C4A 1 1 20 24229 2 2 1 HEC C4B C 3.328 7.992 -6.540 1.00 . B A . 69 HEC C4B 1 1 20 24230 2 2 1 HEC C4C C 2.496 5.818 -2.947 1.00 . B A . 69 HEC C4C 1 1 20 24231 2 2 1 HEC C4D C 6.505 6.503 -1.663 1.00 . B A . 69 HEC C4D 1 1 20 24232 2 2 1 HEC CAA C 10.202 8.735 -2.839 1.00 . B A . 69 HEC CAA 1 1 20 24233 2 2 1 HEC CAB C 2.161 9.299 -8.515 1.00 . B A . 69 HEC CAB 1 1 20 24234 2 2 1 HEC CAC C 0.133 4.792 -2.370 1.00 . B A . 69 HEC CAC 1 1 20 24235 2 2 1 HEC CAD C 7.505 5.472 0.568 1.00 . B A . 69 HEC CAD 1 1 20 24236 2 2 1 HEC CBA C 11.130 7.647 -3.390 1.00 . B A . 69 HEC CBA 1 1 20 24237 2 2 1 HEC CBB C 2.452 9.627 -9.987 1.00 . B A . 69 HEC CBB 1 1 20 24238 2 2 1 HEC CBC C -0.333 3.390 -2.767 1.00 . B A . 69 HEC CBC 1 1 20 24239 2 2 1 HEC CBD C 8.047 4.046 0.496 1.00 . B A . 69 HEC CBD 1 1 20 24240 2 2 1 HEC CGA C 12.540 7.756 -2.797 1.00 . B A . 69 HEC CGA 1 1 20 24241 2 2 1 HEC CGD C 8.794 3.787 -0.815 1.00 . B A . 69 HEC CGD 1 1 20 24242 2 2 1 HEC CHA C 7.650 7.130 -2.053 1.00 . B A . 69 HEC CHA 1 1 20 24243 2 2 1 HEC CHB C 6.455 9.639 -5.999 1.00 . B A . 69 HEC CHB 1 1 20 24244 2 2 1 HEC CHC C 2.243 7.188 -6.224 1.00 . B A . 69 HEC CHC 1 1 20 24245 2 2 1 HEC CHD C 3.092 5.530 -1.734 1.00 . B A . 69 HEC CHD 1 1 20 24246 2 2 1 HEC CMA C 9.354 10.468 -5.347 1.00 . B A . 69 HEC CMA 1 1 20 24247 2 2 1 HEC CMB C 5.072 10.566 -8.634 1.00 . B A . 69 HEC CMB 1 1 20 24248 2 2 1 HEC CMC C -0.339 5.723 -5.414 1.00 . B A . 69 HEC CMC 1 1 20 24249 2 2 1 HEC CMD C 4.487 4.460 0.712 1.00 . B A . 69 HEC CMD 1 1 20 24250 2 2 1 HEC FE FE 4.849 7.367 -4.050 1.00 . B A . 69 HEC FE 1 1 20 24251 2 2 1 HEC HAA1 H 10.701 9.692 -2.971 1.00 . B A . 69 HEC HAA1 1 1 20 24252 2 2 1 HEC HAA2 H 10.117 8.578 -1.766 1.00 . B A . 69 HEC HAA2 1 1 20 24253 2 2 1 HEC HAB H 1.457 8.478 -8.519 1.00 . B A . 69 HEC HAB 1 1 20 24254 2 2 1 HEC HAC H 0.548 4.703 -1.372 1.00 . B A . 69 HEC HAC 1 1 20 24255 2 2 1 HEC HAD1 H 8.355 6.138 0.449 1.00 . B A . 69 HEC HAD1 1 1 20 24256 2 2 1 HEC HAD2 H 7.104 5.617 1.557 1.00 . B A . 69 HEC HAD2 1 1 20 24257 2 2 1 HEC HBA1 H 10.709 6.668 -3.154 1.00 . B A . 69 HEC HBA1 1 1 20 24258 2 2 1 HEC HBA2 H 11.178 7.751 -4.476 1.00 . B A . 69 HEC HBA2 1 1 20 24259 2 2 1 HEC HBB1 H 2.840 10.639 -10.093 1.00 . B A . 69 HEC HBB1 1 1 20 24260 2 2 1 HEC HBB2 H 3.166 8.913 -10.396 1.00 . B A . 69 HEC HBB2 1 1 20 24261 2 2 1 HEC HBB3 H 1.535 9.562 -10.571 1.00 . B A . 69 HEC HBB3 1 1 20 24262 2 2 1 HEC HBC1 H -0.876 3.415 -3.707 1.00 . B A . 69 HEC HBC1 1 1 20 24263 2 2 1 HEC HBC2 H 0.527 2.727 -2.873 1.00 . B A . 69 HEC HBC2 1 1 20 24264 2 2 1 HEC HBC3 H -0.989 2.995 -1.994 1.00 . B A . 69 HEC HBC3 1 1 20 24265 2 2 1 HEC HBD1 H 8.718 3.885 1.342 1.00 . B A . 69 HEC HBD1 1 1 20 24266 2 2 1 HEC HBD2 H 7.209 3.359 0.587 1.00 . B A . 69 HEC HBD2 1 1 20 24267 2 2 1 HEC HHA H 8.534 6.987 -1.466 1.00 . B A . 69 HEC HHA 1 1 20 24268 2 2 1 HEC HHB H 6.951 10.393 -6.570 1.00 . B A . 69 HEC HHB 1 1 20 24269 2 2 1 HEC HHC H 1.405 7.138 -6.887 1.00 . B A . 69 HEC HHC 1 1 20 24270 2 2 1 HEC HHD H 2.573 4.977 -0.964 1.00 . B A . 69 HEC HHD 1 1 20 24271 2 2 1 HEC HMA1 H 9.045 11.494 -5.146 1.00 . B A . 69 HEC HMA1 1 1 20 24272 2 2 1 HEC HMA2 H 10.396 10.346 -5.057 1.00 . B A . 69 HEC HMA2 1 1 20 24273 2 2 1 HEC HMA3 H 9.279 10.258 -6.413 1.00 . B A . 69 HEC HMA3 1 1 20 24274 2 2 1 HEC HMB1 H 6.081 10.908 -8.425 1.00 . B A . 69 HEC HMB1 1 1 20 24275 2 2 1 HEC HMB2 H 5.087 10.095 -9.615 1.00 . B A . 69 HEC HMB2 1 1 20 24276 2 2 1 HEC HMB3 H 4.409 11.430 -8.644 1.00 . B A . 69 HEC HMB3 1 1 20 24277 2 2 1 HEC HMC1 H -0.676 6.722 -5.692 1.00 . B A . 69 HEC HMC1 1 1 20 24278 2 2 1 HEC HMC2 H -0.144 5.147 -6.313 1.00 . B A . 69 HEC HMC2 1 1 20 24279 2 2 1 HEC HMC3 H -1.151 5.244 -4.871 1.00 . B A . 69 HEC HMC3 1 1 20 24280 2 2 1 HEC HMD1 H 4.096 3.576 0.212 1.00 . B A . 69 HEC HMD1 1 1 20 24281 2 2 1 HEC HMD2 H 5.221 4.174 1.461 1.00 . B A . 69 HEC HMD2 1 1 20 24282 2 2 1 HEC HMD3 H 3.657 4.987 1.178 1.00 . B A . 69 HEC HMD3 1 1 20 24283 2 2 1 HEC NA N 6.673 8.253 -4.000 1.00 . B A . 69 HEC NA 1 1 20 24284 2 2 1 HEC NB N 4.453 8.210 -5.797 1.00 . B A . 69 HEC NB 1 1 20 24285 2 2 1 HEC NC N 3.028 6.499 -4.006 1.00 . B A . 69 HEC NC 1 1 20 24286 2 2 1 HEC ND N 5.279 6.537 -2.257 1.00 . B A . 69 HEC ND 1 1 20 24287 2 2 1 HEC O1A O 12.631 7.944 -1.563 1.00 . B A . 69 HEC O1A 1 1 20 24288 2 2 1 HEC O1D O 10.041 3.817 -0.778 1.00 . B A . 69 HEC O1D 1 1 20 24289 2 2 1 HEC O2A O 13.505 7.685 -3.592 1.00 . B A . 69 HEC O2A 1 1 20 24290 2 2 1 HEC O2D O 8.093 3.566 -1.825 1.00 . B A . 69 HEC O2D 1 1 20 24291 3 2 1 HEC C1A C -2.615 -4.366 -4.711 1.00 . C A . 70 HEC C1A 1 1 20 24292 3 2 1 HEC C1B C -0.669 -2.369 -1.457 1.00 . C A . 70 HEC C1B 1 1 20 24293 3 2 1 HEC C1C C -3.373 0.917 -1.874 1.00 . C A . 70 HEC C1C 1 1 20 24294 3 2 1 HEC C1D C -5.375 -1.148 -5.017 1.00 . C A . 70 HEC C1D 1 1 20 24295 3 2 1 HEC C2A C -1.755 -5.526 -4.717 1.00 . C A . 70 HEC C2A 1 1 20 24296 3 2 1 HEC C2B C 0.028 -1.854 -0.301 1.00 . C A . 70 HEC C2B 1 1 20 24297 3 2 1 HEC C2C C -4.195 2.105 -1.912 1.00 . C A . 70 HEC C2C 1 1 20 24298 3 2 1 HEC C2D C -6.048 -1.594 -6.208 1.00 . C A . 70 HEC C2D 1 1 20 24299 3 2 1 HEC C3A C -0.865 -5.372 -3.682 1.00 . C A . 70 HEC C3A 1 1 20 24300 3 2 1 HEC C3B C -0.506 -0.615 -0.025 1.00 . C A . 70 HEC C3B 1 1 20 24301 3 2 1 HEC C3C C -5.204 1.862 -2.813 1.00 . C A . 70 HEC C3C 1 1 20 24302 3 2 1 HEC C3D C -5.428 -2.759 -6.599 1.00 . C A . 70 HEC C3D 1 1 20 24303 3 2 1 HEC C4A C -1.150 -4.104 -3.055 1.00 . C A . 70 HEC C4A 1 1 20 24304 3 2 1 HEC C4B C -1.507 -0.357 -1.036 1.00 . C A . 70 HEC C4B 1 1 20 24305 3 2 1 HEC C4C C -4.924 0.575 -3.415 1.00 . C A . 70 HEC C4C 1 1 20 24306 3 2 1 HEC C4D C -4.444 -3.069 -5.586 1.00 . C A . 70 HEC C4D 1 1 20 24307 3 2 1 HEC CAA C -1.838 -6.708 -5.658 1.00 . C A . 70 HEC CAA 1 1 20 24308 3 2 1 HEC CAB C -0.214 0.260 1.183 1.00 . C A . 70 HEC CAB 1 1 20 24309 3 2 1 HEC CAC C -6.470 2.686 -2.989 1.00 . C A . 70 HEC CAC 1 1 20 24310 3 2 1 HEC CAD C -5.495 -3.418 -7.958 1.00 . C A . 70 HEC CAD 1 1 20 24311 3 2 1 HEC CBA C -2.852 -7.762 -5.199 1.00 . C A . 70 HEC CBA 1 1 20 24312 3 2 1 HEC CBB C 1.138 0.968 1.101 1.00 . C A . 70 HEC CBB 1 1 20 24313 3 2 1 HEC CBC C -6.269 4.039 -3.650 1.00 . C A . 70 HEC CBC 1 1 20 24314 3 2 1 HEC CBD C -4.244 -3.123 -8.809 1.00 . C A . 70 HEC CBD 1 1 20 24315 3 2 1 HEC CGA C -2.966 -8.926 -6.190 1.00 . C A . 70 HEC CGA 1 1 20 24316 3 2 1 HEC CGD C -4.015 -1.621 -9.051 1.00 . C A . 70 HEC CGD 1 1 20 24317 3 2 1 HEC CHA C -3.638 -4.179 -5.614 1.00 . C A . 70 HEC CHA 1 1 20 24318 3 2 1 HEC CHB C -0.434 -3.615 -1.981 1.00 . C A . 70 HEC CHB 1 1 20 24319 3 2 1 HEC CHC C -2.317 0.752 -1.017 1.00 . C A . 70 HEC CHC 1 1 20 24320 3 2 1 HEC CHD C -5.701 0.023 -4.400 1.00 . C A . 70 HEC CHD 1 1 20 24321 3 2 1 HEC CMA C 0.252 -6.319 -3.318 1.00 . C A . 70 HEC CMA 1 1 20 24322 3 2 1 HEC CMB C 1.011 -2.623 0.556 1.00 . C A . 70 HEC CMB 1 1 20 24323 3 2 1 HEC CMC C -3.968 3.405 -1.166 1.00 . C A . 70 HEC CMC 1 1 20 24324 3 2 1 HEC CMD C -7.085 -0.784 -6.957 1.00 . C A . 70 HEC CMD 1 1 20 24325 3 2 1 HEC FE FE -2.976 -1.749 -3.288 1.00 . C A . 70 HEC FE 1 1 20 24326 3 2 1 HEC HAA1 H -2.108 -6.373 -6.658 1.00 . C A . 70 HEC HAA1 1 1 20 24327 3 2 1 HEC HAA2 H -0.864 -7.188 -5.748 1.00 . C A . 70 HEC HAA2 1 1 20 24328 3 2 1 HEC HAB H -0.931 1.066 1.265 1.00 . C A . 70 HEC HAB 1 1 20 24329 3 2 1 HEC HAC H -7.170 2.169 -3.640 1.00 . C A . 70 HEC HAC 1 1 20 24330 3 2 1 HEC HAD1 H -5.595 -4.495 -7.831 1.00 . C A . 70 HEC HAD1 1 1 20 24331 3 2 1 HEC HAD2 H -6.367 -3.065 -8.504 1.00 . C A . 70 HEC HAD2 1 1 20 24332 3 2 1 HEC HBA1 H -2.544 -8.149 -4.226 1.00 . C A . 70 HEC HBA1 1 1 20 24333 3 2 1 HEC HBA2 H -3.824 -7.280 -5.086 1.00 . C A . 70 HEC HBA2 1 1 20 24334 3 2 1 HEC HBB1 H 1.970 0.272 1.168 1.00 . C A . 70 HEC HBB1 1 1 20 24335 3 2 1 HEC HBB2 H 1.216 1.511 0.156 1.00 . C A . 70 HEC HBB2 1 1 20 24336 3 2 1 HEC HBB3 H 1.195 1.685 1.915 1.00 . C A . 70 HEC HBB3 1 1 20 24337 3 2 1 HEC HBC1 H -5.685 3.856 -4.550 1.00 . C A . 70 HEC HBC1 1 1 20 24338 3 2 1 HEC HBC2 H -7.237 4.457 -3.926 1.00 . C A . 70 HEC HBC2 1 1 20 24339 3 2 1 HEC HBC3 H -5.756 4.735 -2.991 1.00 . C A . 70 HEC HBC3 1 1 20 24340 3 2 1 HEC HBD1 H -3.366 -3.554 -8.326 1.00 . C A . 70 HEC HBD1 1 1 20 24341 3 2 1 HEC HBD2 H -4.370 -3.614 -9.775 1.00 . C A . 70 HEC HBD2 1 1 20 24342 3 2 1 HEC HHA H -3.800 -4.921 -6.376 1.00 . C A . 70 HEC HHA 1 1 20 24343 3 2 1 HEC HHB H 0.329 -4.229 -1.535 1.00 . C A . 70 HEC HHB 1 1 20 24344 3 2 1 HEC HHC H -2.189 1.473 -0.236 1.00 . C A . 70 HEC HHC 1 1 20 24345 3 2 1 HEC HHD H -6.573 0.538 -4.751 1.00 . C A . 70 HEC HHD 1 1 20 24346 3 2 1 HEC HMA1 H 0.328 -6.390 -2.237 1.00 . C A . 70 HEC HMA1 1 1 20 24347 3 2 1 HEC HMA2 H 0.053 -7.318 -3.703 1.00 . C A . 70 HEC HMA2 1 1 20 24348 3 2 1 HEC HMA3 H 1.194 -5.949 -3.725 1.00 . C A . 70 HEC HMA3 1 1 20 24349 3 2 1 HEC HMB1 H 1.651 -3.265 -0.044 1.00 . C A . 70 HEC HMB1 1 1 20 24350 3 2 1 HEC HMB2 H 1.638 -1.937 1.120 1.00 . C A . 70 HEC HMB2 1 1 20 24351 3 2 1 HEC HMB3 H 0.446 -3.243 1.249 1.00 . C A . 70 HEC HMB3 1 1 20 24352 3 2 1 HEC HMC1 H -4.788 3.576 -0.470 1.00 . C A . 70 HEC HMC1 1 1 20 24353 3 2 1 HEC HMC2 H -3.037 3.410 -0.608 1.00 . C A . 70 HEC HMC2 1 1 20 24354 3 2 1 HEC HMC3 H -3.918 4.226 -1.876 1.00 . C A . 70 HEC HMC3 1 1 20 24355 3 2 1 HEC HMD1 H -6.795 0.272 -6.942 1.00 . C A . 70 HEC HMD1 1 1 20 24356 3 2 1 HEC HMD2 H -7.142 -1.088 -8.000 1.00 . C A . 70 HEC HMD2 1 1 20 24357 3 2 1 HEC HMD3 H -8.059 -0.898 -6.482 1.00 . C A . 70 HEC HMD3 1 1 20 24358 3 2 1 HEC NA N -2.197 -3.530 -3.713 1.00 . C A . 70 HEC NA 1 1 20 24359 3 2 1 HEC NB N -1.592 -1.446 -1.847 1.00 . C A . 70 HEC NB 1 1 20 24360 3 2 1 HEC NC N -3.819 0.049 -2.821 1.00 . C A . 70 HEC NC 1 1 20 24361 3 2 1 HEC ND N -4.412 -2.041 -4.703 1.00 . C A . 70 HEC ND 1 1 20 24362 3 2 1 HEC O1A O -4.119 -9.299 -6.505 1.00 . C A . 70 HEC O1A 1 1 20 24363 3 2 1 HEC O1D O -2.869 -1.147 -8.860 1.00 . C A . 70 HEC O1D 1 1 20 24364 3 2 1 HEC O2A O -1.900 -9.417 -6.623 1.00 . C A . 70 HEC O2A 1 1 20 24365 3 2 1 HEC O2D O -5.000 -0.976 -9.475 1.00 . C A . 70 HEC O2D 1 1 20 24366 4 2 1 HEC C1A C 2.504 -5.973 9.509 1.00 . D A . 71 HEC C1A 1 1 20 24367 4 2 1 HEC C1B C -0.141 -9.352 9.067 1.00 . D A . 71 HEC C1B 1 1 20 24368 4 2 1 HEC C1C C -1.587 -7.731 5.392 1.00 . D A . 71 HEC C1C 1 1 20 24369 4 2 1 HEC C1D C 1.225 -4.535 5.686 1.00 . D A . 71 HEC C1D 1 1 20 24370 4 2 1 HEC C2A C 3.153 -6.431 10.722 1.00 . D A . 71 HEC C2A 1 1 20 24371 4 2 1 HEC C2B C -0.995 -10.520 9.068 1.00 . D A . 71 HEC C2B 1 1 20 24372 4 2 1 HEC C2C C -2.129 -7.372 4.108 1.00 . D A . 71 HEC C2C 1 1 20 24373 4 2 1 HEC C2D C 2.156 -3.429 5.617 1.00 . D A . 71 HEC C2D 1 1 20 24374 4 2 1 HEC C3A C 2.480 -7.568 11.113 1.00 . D A . 71 HEC C3A 1 1 20 24375 4 2 1 HEC C3B C -1.854 -10.405 7.996 1.00 . D A . 71 HEC C3B 1 1 20 24376 4 2 1 HEC C3C C -1.554 -6.174 3.754 1.00 . D A . 71 HEC C3C 1 1 20 24377 4 2 1 HEC C3D C 2.833 -3.394 6.810 1.00 . D A . 71 HEC C3D 1 1 20 24378 4 2 1 HEC C4A C 1.539 -7.906 10.068 1.00 . D A . 71 HEC C4A 1 1 20 24379 4 2 1 HEC C4B C -1.405 -9.258 7.240 1.00 . D A . 71 HEC C4B 1 1 20 24380 4 2 1 HEC C4C C -0.559 -5.879 4.770 1.00 . D A . 71 HEC C4C 1 1 20 24381 4 2 1 HEC C4D C 2.381 -4.527 7.585 1.00 . D A . 71 HEC C4D 1 1 20 24382 4 2 1 HEC CAA C 4.470 -5.924 11.308 1.00 . D A . 71 HEC CAA 1 1 20 24383 4 2 1 HEC CAB C -3.204 -11.098 7.820 1.00 . D A . 71 HEC CAB 1 1 20 24384 4 2 1 HEC CAC C -1.838 -5.365 2.496 1.00 . D A . 71 HEC CAC 1 1 20 24385 4 2 1 HEC CAD C 3.759 -2.288 7.277 1.00 . D A . 71 HEC CAD 1 1 20 24386 4 2 1 HEC CBA C 5.646 -6.871 11.001 1.00 . D A . 71 HEC CBA 1 1 20 24387 4 2 1 HEC CBB C -4.103 -10.976 9.054 1.00 . D A . 71 HEC CBB 1 1 20 24388 4 2 1 HEC CBC C -3.304 -4.958 2.309 1.00 . D A . 71 HEC CBC 1 1 20 24389 4 2 1 HEC CBD C 5.201 -2.696 7.623 1.00 . D A . 71 HEC CBD 1 1 20 24390 4 2 1 HEC CGA C 7.049 -6.408 11.407 1.00 . D A . 71 HEC CGA 1 1 20 24391 4 2 1 HEC CGD C 5.731 -2.012 8.898 1.00 . D A . 71 HEC CGD 1 1 20 24392 4 2 1 HEC CHA C 2.881 -4.843 8.823 1.00 . D A . 71 HEC CHA 1 1 20 24393 4 2 1 HEC CHB C 0.763 -9.056 10.073 1.00 . D A . 71 HEC CHB 1 1 20 24394 4 2 1 HEC CHC C -1.976 -8.863 6.050 1.00 . D A . 71 HEC CHC 1 1 20 24395 4 2 1 HEC CHD C 0.315 -4.822 4.695 1.00 . D A . 71 HEC CHD 1 1 20 24396 4 2 1 HEC CMA C 2.731 -8.367 12.371 1.00 . D A . 71 HEC CMA 1 1 20 24397 4 2 1 HEC CMB C -0.964 -11.634 10.089 1.00 . D A . 71 HEC CMB 1 1 20 24398 4 2 1 HEC CMC C -3.071 -8.237 3.296 1.00 . D A . 71 HEC CMC 1 1 20 24399 4 2 1 HEC CMD C 2.341 -2.446 4.483 1.00 . D A . 71 HEC CMD 1 1 20 24400 4 2 1 HEC FE FE 0.450 -6.885 7.477 1.00 . D A . 71 HEC FE 1 1 20 24401 4 2 1 HEC HAA1 H 4.731 -4.952 10.897 1.00 . D A . 71 HEC HAA1 1 1 20 24402 4 2 1 HEC HAA2 H 4.370 -5.818 12.384 1.00 . D A . 71 HEC HAA2 1 1 20 24403 4 2 1 HEC HAB H -3.770 -10.618 7.026 1.00 . D A . 71 HEC HAB 1 1 20 24404 4 2 1 HEC HAC H -1.291 -4.428 2.516 1.00 . D A . 71 HEC HAC 1 1 20 24405 4 2 1 HEC HAD1 H 3.813 -1.487 6.542 1.00 . D A . 71 HEC HAD1 1 1 20 24406 4 2 1 HEC HAD2 H 3.300 -1.868 8.160 1.00 . D A . 71 HEC HAD2 1 1 20 24407 4 2 1 HEC HBA1 H 5.463 -7.795 11.544 1.00 . D A . 71 HEC HBA1 1 1 20 24408 4 2 1 HEC HBA2 H 5.661 -7.050 9.925 1.00 . D A . 71 HEC HBA2 1 1 20 24409 4 2 1 HEC HBB1 H -5.088 -11.385 8.823 1.00 . D A . 71 HEC HBB1 1 1 20 24410 4 2 1 HEC HBB2 H -3.688 -11.532 9.894 1.00 . D A . 71 HEC HBB2 1 1 20 24411 4 2 1 HEC HBB3 H -4.211 -9.929 9.332 1.00 . D A . 71 HEC HBB3 1 1 20 24412 4 2 1 HEC HBC1 H -3.389 -4.380 1.389 1.00 . D A . 71 HEC HBC1 1 1 20 24413 4 2 1 HEC HBC2 H -3.955 -5.825 2.225 1.00 . D A . 71 HEC HBC2 1 1 20 24414 4 2 1 HEC HBC3 H -3.627 -4.339 3.147 1.00 . D A . 71 HEC HBC3 1 1 20 24415 4 2 1 HEC HBD1 H 5.257 -3.775 7.762 1.00 . D A . 71 HEC HBD1 1 1 20 24416 4 2 1 HEC HBD2 H 5.827 -2.431 6.769 1.00 . D A . 71 HEC HBD2 1 1 20 24417 4 2 1 HEC HHA H 3.627 -4.186 9.235 1.00 . D A . 71 HEC HHA 1 1 20 24418 4 2 1 HEC HHB H 0.851 -9.726 10.910 1.00 . D A . 71 HEC HHB 1 1 20 24419 4 2 1 HEC HHC H -2.671 -9.512 5.555 1.00 . D A . 71 HEC HHC 1 1 20 24420 4 2 1 HEC HHD H 0.303 -4.206 3.817 1.00 . D A . 71 HEC HHD 1 1 20 24421 4 2 1 HEC HMA1 H 3.201 -9.316 12.120 1.00 . D A . 71 HEC HMA1 1 1 20 24422 4 2 1 HEC HMA2 H 3.386 -7.817 13.046 1.00 . D A . 71 HEC HMA2 1 1 20 24423 4 2 1 HEC HMA3 H 1.785 -8.549 12.880 1.00 . D A . 71 HEC HMA3 1 1 20 24424 4 2 1 HEC HMB1 H -1.431 -11.295 11.013 1.00 . D A . 71 HEC HMB1 1 1 20 24425 4 2 1 HEC HMB2 H -1.501 -12.505 9.713 1.00 . D A . 71 HEC HMB2 1 1 20 24426 4 2 1 HEC HMB3 H 0.065 -11.929 10.291 1.00 . D A . 71 HEC HMB3 1 1 20 24427 4 2 1 HEC HMC1 H -2.696 -9.261 3.276 1.00 . D A . 71 HEC HMC1 1 1 20 24428 4 2 1 HEC HMC2 H -4.067 -8.235 3.736 1.00 . D A . 71 HEC HMC2 1 1 20 24429 4 2 1 HEC HMC3 H -3.130 -7.893 2.265 1.00 . D A . 71 HEC HMC3 1 1 20 24430 4 2 1 HEC HMD1 H 1.827 -2.736 3.573 1.00 . D A . 71 HEC HMD1 1 1 20 24431 4 2 1 HEC HMD2 H 1.966 -1.470 4.762 1.00 . D A . 71 HEC HMD2 1 1 20 24432 4 2 1 HEC HMD3 H 3.403 -2.360 4.281 1.00 . D A . 71 HEC HMD3 1 1 20 24433 4 2 1 HEC NA N 1.579 -6.927 9.136 1.00 . D A . 71 HEC NA 1 1 20 24434 4 2 1 HEC NB N -0.420 -8.637 7.944 1.00 . D A . 71 HEC NB 1 1 20 24435 4 2 1 HEC NC N -0.670 -6.824 5.758 1.00 . D A . 71 HEC NC 1 1 20 24436 4 2 1 HEC ND N 1.418 -5.184 6.872 1.00 . D A . 71 HEC ND 1 1 20 24437 4 2 1 HEC O1A O 8.015 -6.978 10.831 1.00 . D A . 71 HEC O1A 1 1 20 24438 4 2 1 HEC O1D O 5.006 -2.063 9.922 1.00 . D A . 71 HEC O1D 1 1 20 24439 4 2 1 HEC O2A O 7.124 -5.540 12.312 1.00 . D A . 71 HEC O2A 1 1 20 24440 4 2 1 HEC O2D O 6.845 -1.454 8.866 1.00 . D A . 71 HEC O2D 1 1 21 24441 1 1 1 ALA C C 10.137 0.513 -11.199 1.00 . A A . 1 ALA C 1 1 21 24442 1 1 1 ALA CA C 11.444 0.275 -11.951 1.00 . A A . 1 ALA CA 1 1 21 24443 1 1 1 ALA CB C 12.530 1.286 -11.562 1.00 . A A . 1 ALA CB 1 1 21 24444 1 1 1 ALA H1 H 10.893 1.230 -13.678 1.00 . A A . 1 ALA H1 1 1 21 24445 1 1 1 ALA H2 H 11.980 0.006 -13.932 1.00 . A A . 1 ALA H2 1 1 21 24446 1 1 1 ALA H3 H 10.386 -0.315 -13.631 1.00 . A A . 1 ALA H3 1 1 21 24447 1 1 1 ALA HA H 11.804 -0.720 -11.683 1.00 . A A . 1 ALA HA 1 1 21 24448 1 1 1 ALA HB1 H 13.462 1.050 -12.075 1.00 . A A . 1 ALA HB1 1 1 21 24449 1 1 1 ALA HB2 H 12.220 2.298 -11.826 1.00 . A A . 1 ALA HB2 1 1 21 24450 1 1 1 ALA HB3 H 12.701 1.240 -10.485 1.00 . A A . 1 ALA HB3 1 1 21 24451 1 1 1 ALA N N 11.174 0.301 -13.404 1.00 . A A . 1 ALA N 1 1 21 24452 1 1 1 ALA O O 9.950 1.522 -10.530 1.00 . A A . 1 ALA O 1 1 21 24453 1 1 2 ASP C C 7.286 -0.464 -9.917 1.00 . A A . 2 ASP C 1 1 21 24454 1 1 2 ASP CA C 7.786 -0.204 -11.328 1.00 . A A . 2 ASP CA 1 1 21 24455 1 1 2 ASP CB C 7.168 -1.177 -12.348 1.00 . A A . 2 ASP CB 1 1 21 24456 1 1 2 ASP CG C 7.685 -0.948 -13.769 1.00 . A A . 2 ASP CG 1 1 21 24457 1 1 2 ASP H H 9.401 -1.133 -12.108 1.00 . A A . 2 ASP H 1 1 21 24458 1 1 2 ASP HA H 7.532 0.825 -11.586 1.00 . A A . 2 ASP HA 1 1 21 24459 1 1 2 ASP HB2 H 7.406 -2.203 -12.064 1.00 . A A . 2 ASP HB2 1 1 21 24460 1 1 2 ASP HB3 H 6.086 -1.089 -12.330 1.00 . A A . 2 ASP HB3 1 1 21 24461 1 1 2 ASP N N 9.209 -0.410 -11.423 1.00 . A A . 2 ASP N 1 1 21 24462 1 1 2 ASP O O 6.361 0.206 -9.468 1.00 . A A . 2 ASP O 1 1 21 24463 1 1 2 ASP OD1 O 8.932 -1.020 -13.929 1.00 . A A . 2 ASP OD1 1 1 21 24464 1 1 2 ASP OD2 O 6.850 -0.677 -14.656 1.00 . A A . 2 ASP OD2 1 1 21 24465 1 1 3 VAL C C 8.515 -1.806 -6.896 1.00 . A A . 3 VAL C 1 1 21 24466 1 1 3 VAL CA C 7.473 -2.027 -7.989 1.00 . A A . 3 VAL CA 1 1 21 24467 1 1 3 VAL CB C 7.147 -3.520 -8.237 1.00 . A A . 3 VAL CB 1 1 21 24468 1 1 3 VAL CG1 C 8.285 -4.263 -8.956 1.00 . A A . 3 VAL CG1 1 1 21 24469 1 1 3 VAL CG2 C 6.812 -4.303 -6.961 1.00 . A A . 3 VAL CG2 1 1 21 24470 1 1 3 VAL H H 8.719 -1.848 -9.673 1.00 . A A . 3 VAL H 1 1 21 24471 1 1 3 VAL HA H 6.592 -1.493 -7.653 1.00 . A A . 3 VAL HA 1 1 21 24472 1 1 3 VAL HB H 6.271 -3.563 -8.886 1.00 . A A . 3 VAL HB 1 1 21 24473 1 1 3 VAL HG11 H 8.435 -3.867 -9.960 1.00 . A A . 3 VAL HG11 1 1 21 24474 1 1 3 VAL HG12 H 9.212 -4.180 -8.389 1.00 . A A . 3 VAL HG12 1 1 21 24475 1 1 3 VAL HG13 H 8.026 -5.319 -9.052 1.00 . A A . 3 VAL HG13 1 1 21 24476 1 1 3 VAL HG21 H 7.678 -4.365 -6.302 1.00 . A A . 3 VAL HG21 1 1 21 24477 1 1 3 VAL HG22 H 5.990 -3.830 -6.434 1.00 . A A . 3 VAL HG22 1 1 21 24478 1 1 3 VAL HG23 H 6.501 -5.313 -7.228 1.00 . A A . 3 VAL HG23 1 1 21 24479 1 1 3 VAL N N 7.906 -1.438 -9.245 1.00 . A A . 3 VAL N 1 1 21 24480 1 1 3 VAL O O 9.710 -1.743 -7.184 1.00 . A A . 3 VAL O 1 1 21 24481 1 1 4 VAL C C 8.489 -2.636 -3.481 1.00 . A A . 4 VAL C 1 1 21 24482 1 1 4 VAL CA C 8.888 -1.540 -4.464 1.00 . A A . 4 VAL CA 1 1 21 24483 1 1 4 VAL CB C 8.708 -0.128 -3.874 1.00 . A A . 4 VAL CB 1 1 21 24484 1 1 4 VAL CG1 C 9.386 0.058 -2.507 1.00 . A A . 4 VAL CG1 1 1 21 24485 1 1 4 VAL CG2 C 9.304 0.913 -4.824 1.00 . A A . 4 VAL CG2 1 1 21 24486 1 1 4 VAL H H 7.057 -1.794 -5.463 1.00 . A A . 4 VAL H 1 1 21 24487 1 1 4 VAL HA H 9.940 -1.677 -4.695 1.00 . A A . 4 VAL HA 1 1 21 24488 1 1 4 VAL HB H 7.643 0.075 -3.772 1.00 . A A . 4 VAL HB 1 1 21 24489 1 1 4 VAL HG11 H 10.442 -0.206 -2.568 1.00 . A A . 4 VAL HG11 1 1 21 24490 1 1 4 VAL HG12 H 9.299 1.093 -2.181 1.00 . A A . 4 VAL HG12 1 1 21 24491 1 1 4 VAL HG13 H 8.913 -0.565 -1.751 1.00 . A A . 4 VAL HG13 1 1 21 24492 1 1 4 VAL HG21 H 8.784 0.895 -5.781 1.00 . A A . 4 VAL HG21 1 1 21 24493 1 1 4 VAL HG22 H 9.209 1.902 -4.380 1.00 . A A . 4 VAL HG22 1 1 21 24494 1 1 4 VAL HG23 H 10.361 0.696 -4.982 1.00 . A A . 4 VAL HG23 1 1 21 24495 1 1 4 VAL N N 8.054 -1.682 -5.648 1.00 . A A . 4 VAL N 1 1 21 24496 1 1 4 VAL O O 7.420 -3.240 -3.600 1.00 . A A . 4 VAL O 1 1 21 24497 1 1 5 THR C C 9.384 -2.555 -0.068 1.00 . A A . 5 THR C 1 1 21 24498 1 1 5 THR CA C 8.885 -3.403 -1.225 1.00 . A A . 5 THR CA 1 1 21 24499 1 1 5 THR CB C 9.304 -4.872 -1.059 1.00 . A A . 5 THR CB 1 1 21 24500 1 1 5 THR CG2 C 10.820 -5.088 -1.091 1.00 . A A . 5 THR CG2 1 1 21 24501 1 1 5 THR H H 10.218 -2.367 -2.438 1.00 . A A . 5 THR H 1 1 21 24502 1 1 5 THR HA H 7.800 -3.274 -1.209 1.00 . A A . 5 THR HA 1 1 21 24503 1 1 5 THR HB H 8.852 -5.450 -1.866 1.00 . A A . 5 THR HB 1 1 21 24504 1 1 5 THR HG1 H 7.893 -5.009 0.194 1.00 . A A . 5 THR HG1 1 1 21 24505 1 1 5 THR HG21 H 11.035 -6.149 -0.959 1.00 . A A . 5 THR HG21 1 1 21 24506 1 1 5 THR HG22 H 11.228 -4.764 -2.048 1.00 . A A . 5 THR HG22 1 1 21 24507 1 1 5 THR HG23 H 11.307 -4.535 -0.289 1.00 . A A . 5 THR HG23 1 1 21 24508 1 1 5 THR N N 9.344 -2.873 -2.484 1.00 . A A . 5 THR N 1 1 21 24509 1 1 5 THR O O 10.460 -1.966 -0.134 1.00 . A A . 5 THR O 1 1 21 24510 1 1 5 THR OG1 O 8.803 -5.323 0.178 1.00 . A A . 5 THR OG1 1 1 21 24511 1 1 6 TYR C C 10.069 -2.865 2.912 1.00 . A A . 6 TYR C 1 1 21 24512 1 1 6 TYR CA C 8.947 -2.024 2.293 1.00 . A A . 6 TYR CA 1 1 21 24513 1 1 6 TYR CB C 7.706 -2.003 3.200 1.00 . A A . 6 TYR CB 1 1 21 24514 1 1 6 TYR CD1 C 6.796 0.154 2.200 1.00 . A A . 6 TYR CD1 1 1 21 24515 1 1 6 TYR CD2 C 5.280 -1.707 2.542 1.00 . A A . 6 TYR CD2 1 1 21 24516 1 1 6 TYR CE1 C 5.800 0.811 1.461 1.00 . A A . 6 TYR CE1 1 1 21 24517 1 1 6 TYR CE2 C 4.292 -1.048 1.795 1.00 . A A . 6 TYR CE2 1 1 21 24518 1 1 6 TYR CG C 6.561 -1.147 2.683 1.00 . A A . 6 TYR CG 1 1 21 24519 1 1 6 TYR CZ C 4.558 0.206 1.239 1.00 . A A . 6 TYR CZ 1 1 21 24520 1 1 6 TYR H H 7.703 -3.039 0.912 1.00 . A A . 6 TYR H 1 1 21 24521 1 1 6 TYR HA H 9.302 -1.007 2.171 1.00 . A A . 6 TYR HA 1 1 21 24522 1 1 6 TYR HB2 H 7.364 -3.031 3.326 1.00 . A A . 6 TYR HB2 1 1 21 24523 1 1 6 TYR HB3 H 7.985 -1.640 4.187 1.00 . A A . 6 TYR HB3 1 1 21 24524 1 1 6 TYR HD1 H 7.771 0.609 2.281 1.00 . A A . 6 TYR HD1 1 1 21 24525 1 1 6 TYR HD2 H 5.050 -2.647 3.006 1.00 . A A . 6 TYR HD2 1 1 21 24526 1 1 6 TYR HE1 H 6.073 1.645 0.847 1.00 . A A . 6 TYR HE1 1 1 21 24527 1 1 6 TYR HE2 H 3.371 -1.544 1.551 1.00 . A A . 6 TYR HE2 1 1 21 24528 1 1 6 TYR HH H 4.126 0.814 -0.540 1.00 . A A . 6 TYR HH 1 1 21 24529 1 1 6 TYR N N 8.573 -2.538 0.989 1.00 . A A . 6 TYR N 1 1 21 24530 1 1 6 TYR O O 10.849 -2.342 3.702 1.00 . A A . 6 TYR O 1 1 21 24531 1 1 6 TYR OH O 3.700 0.722 0.317 1.00 . A A . 6 TYR OH 1 1 21 24532 1 1 7 GLU C C 10.325 -5.330 4.763 1.00 . A A . 7 GLU C 1 1 21 24533 1 1 7 GLU CA C 10.739 -5.256 3.286 1.00 . A A . 7 GLU CA 1 1 21 24534 1 1 7 GLU CB C 12.249 -5.391 3.014 1.00 . A A . 7 GLU CB 1 1 21 24535 1 1 7 GLU CD C 14.622 -4.904 3.664 1.00 . A A . 7 GLU CD 1 1 21 24536 1 1 7 GLU CG C 13.171 -4.466 3.816 1.00 . A A . 7 GLU CG 1 1 21 24537 1 1 7 GLU H H 9.501 -4.452 1.801 1.00 . A A . 7 GLU H 1 1 21 24538 1 1 7 GLU HA H 10.295 -6.131 2.821 1.00 . A A . 7 GLU HA 1 1 21 24539 1 1 7 GLU HB2 H 12.541 -6.414 3.259 1.00 . A A . 7 GLU HB2 1 1 21 24540 1 1 7 GLU HB3 H 12.447 -5.239 1.952 1.00 . A A . 7 GLU HB3 1 1 21 24541 1 1 7 GLU HG2 H 13.080 -3.441 3.459 1.00 . A A . 7 GLU HG2 1 1 21 24542 1 1 7 GLU HG3 H 12.918 -4.495 4.875 1.00 . A A . 7 GLU HG3 1 1 21 24543 1 1 7 GLU N N 10.101 -4.162 2.564 1.00 . A A . 7 GLU N 1 1 21 24544 1 1 7 GLU O O 9.892 -4.352 5.362 1.00 . A A . 7 GLU O 1 1 21 24545 1 1 7 GLU OE1 O 15.243 -4.491 2.662 1.00 . A A . 7 GLU OE1 1 1 21 24546 1 1 7 GLU OE2 O 15.068 -5.680 4.538 1.00 . A A . 7 GLU OE2 1 1 21 24547 1 1 8 ASN C C 10.478 -8.082 7.228 1.00 . A A . 8 ASN C 1 1 21 24548 1 1 8 ASN CA C 9.905 -6.779 6.706 1.00 . A A . 8 ASN CA 1 1 21 24549 1 1 8 ASN CB C 8.386 -6.962 6.748 1.00 . A A . 8 ASN CB 1 1 21 24550 1 1 8 ASN CG C 7.603 -5.683 6.553 1.00 . A A . 8 ASN CG 1 1 21 24551 1 1 8 ASN H H 10.741 -7.309 4.819 1.00 . A A . 8 ASN H 1 1 21 24552 1 1 8 ASN HA H 10.215 -5.966 7.367 1.00 . A A . 8 ASN HA 1 1 21 24553 1 1 8 ASN HB2 H 8.113 -7.694 5.997 1.00 . A A . 8 ASN HB2 1 1 21 24554 1 1 8 ASN HB3 H 8.098 -7.336 7.729 1.00 . A A . 8 ASN HB3 1 1 21 24555 1 1 8 ASN HD21 H 6.643 -6.447 4.927 1.00 . A A . 8 ASN HD21 1 1 21 24556 1 1 8 ASN HD22 H 6.274 -4.774 5.352 1.00 . A A . 8 ASN HD22 1 1 21 24557 1 1 8 ASN N N 10.365 -6.532 5.342 1.00 . A A . 8 ASN N 1 1 21 24558 1 1 8 ASN ND2 N 6.759 -5.641 5.525 1.00 . A A . 8 ASN ND2 1 1 21 24559 1 1 8 ASN O O 10.667 -9.024 6.460 1.00 . A A . 8 ASN O 1 1 21 24560 1 1 8 ASN OD1 O 7.733 -4.773 7.357 1.00 . A A . 8 ASN OD1 1 1 21 24561 1 1 9 LYS C C 9.579 -10.296 9.183 1.00 . A A . 9 LYS C 1 1 21 24562 1 1 9 LYS CA C 10.829 -9.407 9.272 1.00 . A A . 9 LYS CA 1 1 21 24563 1 1 9 LYS CB C 11.234 -9.087 10.722 1.00 . A A . 9 LYS CB 1 1 21 24564 1 1 9 LYS CD C 10.572 -8.009 12.942 1.00 . A A . 9 LYS CD 1 1 21 24565 1 1 9 LYS CE C 11.370 -6.700 12.802 1.00 . A A . 9 LYS CE 1 1 21 24566 1 1 9 LYS CG C 10.086 -8.533 11.584 1.00 . A A . 9 LYS CG 1 1 21 24567 1 1 9 LYS H H 10.443 -7.326 9.097 1.00 . A A . 9 LYS H 1 1 21 24568 1 1 9 LYS HA H 11.662 -9.933 8.801 1.00 . A A . 9 LYS HA 1 1 21 24569 1 1 9 LYS HB2 H 11.600 -10.003 11.182 1.00 . A A . 9 LYS HB2 1 1 21 24570 1 1 9 LYS HB3 H 12.058 -8.372 10.698 1.00 . A A . 9 LYS HB3 1 1 21 24571 1 1 9 LYS HD2 H 9.675 -7.836 13.544 1.00 . A A . 9 LYS HD2 1 1 21 24572 1 1 9 LYS HD3 H 11.175 -8.771 13.441 1.00 . A A . 9 LYS HD3 1 1 21 24573 1 1 9 LYS HE2 H 12.434 -6.897 12.945 1.00 . A A . 9 LYS HE2 1 1 21 24574 1 1 9 LYS HE3 H 11.228 -6.285 11.802 1.00 . A A . 9 LYS HE3 1 1 21 24575 1 1 9 LYS HG2 H 9.556 -7.727 11.075 1.00 . A A . 9 LYS HG2 1 1 21 24576 1 1 9 LYS HG3 H 9.376 -9.338 11.779 1.00 . A A . 9 LYS HG3 1 1 21 24577 1 1 9 LYS HZ1 H 9.916 -5.508 13.573 1.00 . A A . 9 LYS HZ1 1 1 21 24578 1 1 9 LYS HZ2 H 11.005 -5.983 14.712 1.00 . A A . 9 LYS HZ2 1 1 21 24579 1 1 9 LYS HZ3 H 11.395 -4.801 13.618 1.00 . A A . 9 LYS HZ3 1 1 21 24580 1 1 9 LYS N N 10.610 -8.160 8.555 1.00 . A A . 9 LYS N 1 1 21 24581 1 1 9 LYS NZ N 10.907 -5.673 13.757 1.00 . A A . 9 LYS NZ 1 1 21 24582 1 1 9 LYS O O 9.676 -11.514 9.075 1.00 . A A . 9 LYS O 1 1 21 24583 1 1 10 LYS C C 6.943 -11.096 7.857 1.00 . A A . 10 LYS C 1 1 21 24584 1 1 10 LYS CA C 7.098 -10.337 9.177 1.00 . A A . 10 LYS CA 1 1 21 24585 1 1 10 LYS CB C 6.002 -9.266 9.355 1.00 . A A . 10 LYS CB 1 1 21 24586 1 1 10 LYS CD C 4.113 -11.012 9.739 1.00 . A A . 10 LYS CD 1 1 21 24587 1 1 10 LYS CE C 4.206 -10.941 11.269 1.00 . A A . 10 LYS CE 1 1 21 24588 1 1 10 LYS CG C 4.562 -9.714 9.047 1.00 . A A . 10 LYS CG 1 1 21 24589 1 1 10 LYS H H 8.402 -8.672 9.356 1.00 . A A . 10 LYS H 1 1 21 24590 1 1 10 LYS HA H 7.035 -11.056 9.995 1.00 . A A . 10 LYS HA 1 1 21 24591 1 1 10 LYS HB2 H 6.053 -8.879 10.372 1.00 . A A . 10 LYS HB2 1 1 21 24592 1 1 10 LYS HB3 H 6.211 -8.432 8.683 1.00 . A A . 10 LYS HB3 1 1 21 24593 1 1 10 LYS HD2 H 3.076 -11.192 9.443 1.00 . A A . 10 LYS HD2 1 1 21 24594 1 1 10 LYS HD3 H 4.711 -11.844 9.368 1.00 . A A . 10 LYS HD3 1 1 21 24595 1 1 10 LYS HE2 H 5.207 -10.627 11.571 1.00 . A A . 10 LYS HE2 1 1 21 24596 1 1 10 LYS HE3 H 3.484 -10.209 11.631 1.00 . A A . 10 LYS HE3 1 1 21 24597 1 1 10 LYS HG2 H 3.890 -8.897 9.317 1.00 . A A . 10 LYS HG2 1 1 21 24598 1 1 10 LYS HG3 H 4.460 -9.850 7.969 1.00 . A A . 10 LYS HG3 1 1 21 24599 1 1 10 LYS HZ1 H 4.613 -12.930 11.591 1.00 . A A . 10 LYS HZ1 1 1 21 24600 1 1 10 LYS HZ2 H 3.999 -12.162 12.907 1.00 . A A . 10 LYS HZ2 1 1 21 24601 1 1 10 LYS HZ3 H 3.006 -12.569 11.661 1.00 . A A . 10 LYS HZ3 1 1 21 24602 1 1 10 LYS N N 8.394 -9.674 9.247 1.00 . A A . 10 LYS N 1 1 21 24603 1 1 10 LYS NZ N 3.933 -12.248 11.901 1.00 . A A . 10 LYS NZ 1 1 21 24604 1 1 10 LYS O O 6.569 -12.266 7.841 1.00 . A A . 10 LYS O 1 1 21 24605 1 1 11 GLY C C 6.949 -9.657 4.496 1.00 . A A . 11 GLY C 1 1 21 24606 1 1 11 GLY CA C 6.926 -10.872 5.408 1.00 . A A . 11 GLY CA 1 1 21 24607 1 1 11 GLY H H 7.464 -9.432 6.856 1.00 . A A . 11 GLY H 1 1 21 24608 1 1 11 GLY HA2 H 7.701 -11.588 5.131 1.00 . A A . 11 GLY HA2 1 1 21 24609 1 1 11 GLY HA3 H 5.949 -11.350 5.344 1.00 . A A . 11 GLY HA3 1 1 21 24610 1 1 11 GLY N N 7.169 -10.389 6.753 1.00 . A A . 11 GLY N 1 1 21 24611 1 1 11 GLY O O 6.238 -8.679 4.759 1.00 . A A . 11 GLY O 1 1 21 24612 1 1 12 ASN C C 6.638 -8.209 1.945 1.00 . A A . 12 ASN C 1 1 21 24613 1 1 12 ASN CA C 7.980 -8.527 2.596 1.00 . A A . 12 ASN CA 1 1 21 24614 1 1 12 ASN CB C 9.037 -8.788 1.513 1.00 . A A . 12 ASN CB 1 1 21 24615 1 1 12 ASN CG C 10.488 -8.677 1.982 1.00 . A A . 12 ASN CG 1 1 21 24616 1 1 12 ASN H H 8.324 -10.521 3.279 1.00 . A A . 12 ASN H 1 1 21 24617 1 1 12 ASN HA H 8.285 -7.664 3.196 1.00 . A A . 12 ASN HA 1 1 21 24618 1 1 12 ASN HB2 H 8.869 -9.762 1.057 1.00 . A A . 12 ASN HB2 1 1 21 24619 1 1 12 ASN HB3 H 8.911 -8.037 0.729 1.00 . A A . 12 ASN HB3 1 1 21 24620 1 1 12 ASN HD21 H 10.071 -9.192 3.928 1.00 . A A . 12 ASN HD21 1 1 21 24621 1 1 12 ASN HD22 H 11.748 -8.879 3.532 1.00 . A A . 12 ASN HD22 1 1 21 24622 1 1 12 ASN N N 7.817 -9.672 3.482 1.00 . A A . 12 ASN N 1 1 21 24623 1 1 12 ASN ND2 N 10.776 -8.918 3.260 1.00 . A A . 12 ASN ND2 1 1 21 24624 1 1 12 ASN O O 5.889 -9.110 1.560 1.00 . A A . 12 ASN O 1 1 21 24625 1 1 12 ASN OD1 O 11.365 -8.357 1.189 1.00 . A A . 12 ASN OD1 1 1 21 24626 1 1 13 VAL C C 5.611 -5.876 -0.153 1.00 . A A . 13 VAL C 1 1 21 24627 1 1 13 VAL CA C 5.164 -6.393 1.202 1.00 . A A . 13 VAL CA 1 1 21 24628 1 1 13 VAL CB C 4.587 -5.255 2.047 1.00 . A A . 13 VAL CB 1 1 21 24629 1 1 13 VAL CG1 C 3.535 -4.482 1.240 1.00 . A A . 13 VAL CG1 1 1 21 24630 1 1 13 VAL CG2 C 3.979 -5.789 3.345 1.00 . A A . 13 VAL CG2 1 1 21 24631 1 1 13 VAL H H 7.026 -6.237 2.169 1.00 . A A . 13 VAL H 1 1 21 24632 1 1 13 VAL HA H 4.402 -7.161 1.074 1.00 . A A . 13 VAL HA 1 1 21 24633 1 1 13 VAL HB H 5.410 -4.590 2.313 1.00 . A A . 13 VAL HB 1 1 21 24634 1 1 13 VAL HG11 H 2.950 -5.167 0.628 1.00 . A A . 13 VAL HG11 1 1 21 24635 1 1 13 VAL HG12 H 2.862 -3.954 1.905 1.00 . A A . 13 VAL HG12 1 1 21 24636 1 1 13 VAL HG13 H 4.029 -3.751 0.596 1.00 . A A . 13 VAL HG13 1 1 21 24637 1 1 13 VAL HG21 H 3.692 -4.952 3.979 1.00 . A A . 13 VAL HG21 1 1 21 24638 1 1 13 VAL HG22 H 3.103 -6.401 3.131 1.00 . A A . 13 VAL HG22 1 1 21 24639 1 1 13 VAL HG23 H 4.716 -6.387 3.875 1.00 . A A . 13 VAL HG23 1 1 21 24640 1 1 13 VAL N N 6.345 -6.914 1.855 1.00 . A A . 13 VAL N 1 1 21 24641 1 1 13 VAL O O 6.182 -4.788 -0.223 1.00 . A A . 13 VAL O 1 1 21 24642 1 1 14 THR C C 4.386 -5.191 -2.838 1.00 . A A . 14 THR C 1 1 21 24643 1 1 14 THR CA C 5.573 -6.110 -2.553 1.00 . A A . 14 THR CA 1 1 21 24644 1 1 14 THR CB C 5.756 -7.247 -3.572 1.00 . A A . 14 THR CB 1 1 21 24645 1 1 14 THR CG2 C 4.531 -8.156 -3.729 1.00 . A A . 14 THR CG2 1 1 21 24646 1 1 14 THR H H 4.811 -7.467 -1.105 1.00 . A A . 14 THR H 1 1 21 24647 1 1 14 THR HA H 6.492 -5.520 -2.572 1.00 . A A . 14 THR HA 1 1 21 24648 1 1 14 THR HB H 6.592 -7.866 -3.242 1.00 . A A . 14 THR HB 1 1 21 24649 1 1 14 THR HG1 H 6.875 -6.169 -4.757 1.00 . A A . 14 THR HG1 1 1 21 24650 1 1 14 THR HG21 H 4.238 -8.581 -2.770 1.00 . A A . 14 THR HG21 1 1 21 24651 1 1 14 THR HG22 H 3.693 -7.598 -4.147 1.00 . A A . 14 THR HG22 1 1 21 24652 1 1 14 THR HG23 H 4.777 -8.971 -4.411 1.00 . A A . 14 THR HG23 1 1 21 24653 1 1 14 THR N N 5.379 -6.639 -1.217 1.00 . A A . 14 THR N 1 1 21 24654 1 1 14 THR O O 3.247 -5.556 -2.549 1.00 . A A . 14 THR O 1 1 21 24655 1 1 14 THR OG1 O 6.088 -6.715 -4.837 1.00 . A A . 14 THR OG1 1 1 21 24656 1 1 15 PHE C C 4.087 -2.453 -5.087 1.00 . A A . 15 PHE C 1 1 21 24657 1 1 15 PHE CA C 3.594 -3.088 -3.796 1.00 . A A . 15 PHE CA 1 1 21 24658 1 1 15 PHE CB C 3.229 -2.058 -2.718 1.00 . A A . 15 PHE CB 1 1 21 24659 1 1 15 PHE CD1 C 5.369 -1.334 -1.611 1.00 . A A . 15 PHE CD1 1 1 21 24660 1 1 15 PHE CD2 C 4.162 0.282 -2.982 1.00 . A A . 15 PHE CD2 1 1 21 24661 1 1 15 PHE CE1 C 6.307 -0.346 -1.283 1.00 . A A . 15 PHE CE1 1 1 21 24662 1 1 15 PHE CE2 C 5.094 1.276 -2.639 1.00 . A A . 15 PHE CE2 1 1 21 24663 1 1 15 PHE CG C 4.279 -1.011 -2.434 1.00 . A A . 15 PHE CG 1 1 21 24664 1 1 15 PHE CZ C 6.144 0.966 -1.759 1.00 . A A . 15 PHE CZ 1 1 21 24665 1 1 15 PHE H H 5.599 -3.691 -3.513 1.00 . A A . 15 PHE H 1 1 21 24666 1 1 15 PHE HA H 2.692 -3.663 -4.016 1.00 . A A . 15 PHE HA 1 1 21 24667 1 1 15 PHE HB2 H 2.316 -1.544 -3.007 1.00 . A A . 15 PHE HB2 1 1 21 24668 1 1 15 PHE HB3 H 3.025 -2.586 -1.789 1.00 . A A . 15 PHE HB3 1 1 21 24669 1 1 15 PHE HD1 H 5.463 -2.326 -1.193 1.00 . A A . 15 PHE HD1 1 1 21 24670 1 1 15 PHE HD2 H 3.363 0.516 -3.675 1.00 . A A . 15 PHE HD2 1 1 21 24671 1 1 15 PHE HE1 H 7.070 -0.555 -0.548 1.00 . A A . 15 PHE HE1 1 1 21 24672 1 1 15 PHE HE2 H 4.986 2.281 -3.027 1.00 . A A . 15 PHE HE2 1 1 21 24673 1 1 15 PHE HZ H 6.796 1.736 -1.385 1.00 . A A . 15 PHE HZ 1 1 21 24674 1 1 15 PHE N N 4.640 -3.983 -3.338 1.00 . A A . 15 PHE N 1 1 21 24675 1 1 15 PHE O O 5.176 -1.874 -5.134 1.00 . A A . 15 PHE O 1 1 21 24676 1 1 16 ASP C C 3.423 -0.435 -7.171 1.00 . A A . 16 ASP C 1 1 21 24677 1 1 16 ASP CA C 3.632 -1.938 -7.398 1.00 . A A . 16 ASP CA 1 1 21 24678 1 1 16 ASP CB C 2.851 -2.553 -8.557 1.00 . A A . 16 ASP CB 1 1 21 24679 1 1 16 ASP CG C 3.406 -2.115 -9.912 1.00 . A A . 16 ASP CG 1 1 21 24680 1 1 16 ASP H H 2.441 -3.117 -6.089 1.00 . A A . 16 ASP H 1 1 21 24681 1 1 16 ASP HA H 4.669 -2.138 -7.621 1.00 . A A . 16 ASP HA 1 1 21 24682 1 1 16 ASP HB2 H 2.954 -3.638 -8.508 1.00 . A A . 16 ASP HB2 1 1 21 24683 1 1 16 ASP HB3 H 1.797 -2.316 -8.452 1.00 . A A . 16 ASP HB3 1 1 21 24684 1 1 16 ASP N N 3.313 -2.616 -6.160 1.00 . A A . 16 ASP N 1 1 21 24685 1 1 16 ASP O O 2.577 -0.048 -6.367 1.00 . A A . 16 ASP O 1 1 21 24686 1 1 16 ASP OD1 O 3.680 -0.906 -10.067 1.00 . A A . 16 ASP OD1 1 1 21 24687 1 1 16 ASP OD2 O 3.531 -2.990 -10.794 1.00 . A A . 16 ASP OD2 1 1 21 24688 1 1 17 HIS C C 3.549 2.424 -8.898 1.00 . A A . 17 HIS C 1 1 21 24689 1 1 17 HIS CA C 4.215 1.855 -7.651 1.00 . A A . 17 HIS CA 1 1 21 24690 1 1 17 HIS CB C 5.669 2.350 -7.507 1.00 . A A . 17 HIS CB 1 1 21 24691 1 1 17 HIS CD2 C 5.122 4.547 -6.295 1.00 . A A . 17 HIS CD2 1 1 21 24692 1 1 17 HIS CE1 C 6.719 4.539 -4.798 1.00 . A A . 17 HIS CE1 1 1 21 24693 1 1 17 HIS CG C 5.859 3.405 -6.455 1.00 . A A . 17 HIS CG 1 1 21 24694 1 1 17 HIS H H 4.744 0.017 -8.592 1.00 . A A . 17 HIS H 1 1 21 24695 1 1 17 HIS HA H 3.641 2.140 -6.768 1.00 . A A . 17 HIS HA 1 1 21 24696 1 1 17 HIS HB2 H 6.317 1.509 -7.257 1.00 . A A . 17 HIS HB2 1 1 21 24697 1 1 17 HIS HB3 H 6.048 2.765 -8.440 1.00 . A A . 17 HIS HB3 1 1 21 24698 1 1 17 HIS HD1 H 7.566 2.707 -5.386 1.00 . A A . 17 HIS HD1 1 1 21 24699 1 1 17 HIS HD2 H 4.273 4.848 -6.885 1.00 . A A . 17 HIS HD2 1 1 21 24700 1 1 17 HIS HE1 H 7.365 4.812 -3.985 1.00 . A A . 17 HIS HE1 1 1 21 24701 1 1 17 HIS N N 4.224 0.409 -7.808 1.00 . A A . 17 HIS N 1 1 21 24702 1 1 17 HIS ND1 N 6.859 3.414 -5.514 1.00 . A A . 17 HIS ND1 1 1 21 24703 1 1 17 HIS NE2 N 5.668 5.259 -5.224 1.00 . A A . 17 HIS NE2 1 1 21 24704 1 1 17 HIS O O 2.480 3.029 -8.846 1.00 . A A . 17 HIS O 1 1 21 24705 1 1 18 LYS C C 2.320 2.039 -11.585 1.00 . A A . 18 LYS C 1 1 21 24706 1 1 18 LYS CA C 3.777 2.448 -11.383 1.00 . A A . 18 LYS CA 1 1 21 24707 1 1 18 LYS CB C 4.757 1.685 -12.279 1.00 . A A . 18 LYS CB 1 1 21 24708 1 1 18 LYS CD C 3.619 0.091 -13.923 1.00 . A A . 18 LYS CD 1 1 21 24709 1 1 18 LYS CE C 3.493 -0.240 -15.412 1.00 . A A . 18 LYS CE 1 1 21 24710 1 1 18 LYS CG C 4.345 1.425 -13.726 1.00 . A A . 18 LYS CG 1 1 21 24711 1 1 18 LYS H H 5.023 1.576 -9.924 1.00 . A A . 18 LYS H 1 1 21 24712 1 1 18 LYS HA H 3.871 3.517 -11.579 1.00 . A A . 18 LYS HA 1 1 21 24713 1 1 18 LYS HB2 H 5.684 2.259 -12.290 1.00 . A A . 18 LYS HB2 1 1 21 24714 1 1 18 LYS HB3 H 4.970 0.722 -11.820 1.00 . A A . 18 LYS HB3 1 1 21 24715 1 1 18 LYS HD2 H 4.190 -0.702 -13.423 1.00 . A A . 18 LYS HD2 1 1 21 24716 1 1 18 LYS HD3 H 2.618 0.146 -13.508 1.00 . A A . 18 LYS HD3 1 1 21 24717 1 1 18 LYS HE2 H 3.228 0.663 -15.966 1.00 . A A . 18 LYS HE2 1 1 21 24718 1 1 18 LYS HE3 H 4.451 -0.618 -15.778 1.00 . A A . 18 LYS HE3 1 1 21 24719 1 1 18 LYS HG2 H 3.792 2.268 -14.147 1.00 . A A . 18 LYS HG2 1 1 21 24720 1 1 18 LYS HG3 H 5.282 1.306 -14.248 1.00 . A A . 18 LYS HG3 1 1 21 24721 1 1 18 LYS HZ1 H 2.368 -1.475 -16.613 1.00 . A A . 18 LYS HZ1 1 1 21 24722 1 1 18 LYS HZ2 H 2.575 -2.053 -15.072 1.00 . A A . 18 LYS HZ2 1 1 21 24723 1 1 18 LYS HZ3 H 1.536 -0.808 -15.374 1.00 . A A . 18 LYS HZ3 1 1 21 24724 1 1 18 LYS N N 4.205 2.167 -10.027 1.00 . A A . 18 LYS N 1 1 21 24725 1 1 18 LYS NZ N 2.427 -1.231 -15.637 1.00 . A A . 18 LYS NZ 1 1 21 24726 1 1 18 LYS O O 1.501 2.838 -12.026 1.00 . A A . 18 LYS O 1 1 21 24727 1 1 19 ALA C C -0.357 1.126 -10.597 1.00 . A A . 19 ALA C 1 1 21 24728 1 1 19 ALA CA C 0.635 0.282 -11.386 1.00 . A A . 19 ALA CA 1 1 21 24729 1 1 19 ALA CB C 0.545 -1.139 -10.872 1.00 . A A . 19 ALA CB 1 1 21 24730 1 1 19 ALA H H 2.767 0.175 -11.004 1.00 . A A . 19 ALA H 1 1 21 24731 1 1 19 ALA HA H 0.357 0.266 -12.437 1.00 . A A . 19 ALA HA 1 1 21 24732 1 1 19 ALA HB1 H 1.228 -1.783 -11.422 1.00 . A A . 19 ALA HB1 1 1 21 24733 1 1 19 ALA HB2 H 0.793 -1.091 -9.818 1.00 . A A . 19 ALA HB2 1 1 21 24734 1 1 19 ALA HB3 H -0.476 -1.500 -10.986 1.00 . A A . 19 ALA HB3 1 1 21 24735 1 1 19 ALA N N 1.992 0.796 -11.258 1.00 . A A . 19 ALA N 1 1 21 24736 1 1 19 ALA O O -1.311 1.649 -11.163 1.00 . A A . 19 ALA O 1 1 21 24737 1 1 20 HIS C C -1.154 3.447 -9.061 1.00 . A A . 20 HIS C 1 1 21 24738 1 1 20 HIS CA C -1.047 2.047 -8.449 1.00 . A A . 20 HIS CA 1 1 21 24739 1 1 20 HIS CB C -0.555 2.079 -6.992 1.00 . A A . 20 HIS CB 1 1 21 24740 1 1 20 HIS CD2 C -1.971 0.663 -5.357 1.00 . A A . 20 HIS CD2 1 1 21 24741 1 1 20 HIS CE1 C -0.669 -1.076 -5.129 1.00 . A A . 20 HIS CE1 1 1 21 24742 1 1 20 HIS CG C -0.886 0.843 -6.180 1.00 . A A . 20 HIS CG 1 1 21 24743 1 1 20 HIS H H 0.695 0.883 -8.880 1.00 . A A . 20 HIS H 1 1 21 24744 1 1 20 HIS HA H -2.043 1.600 -8.465 1.00 . A A . 20 HIS HA 1 1 21 24745 1 1 20 HIS HB2 H 0.522 2.249 -6.971 1.00 . A A . 20 HIS HB2 1 1 21 24746 1 1 20 HIS HB3 H -1.029 2.922 -6.496 1.00 . A A . 20 HIS HB3 1 1 21 24747 1 1 20 HIS HD1 H 0.834 -0.391 -6.426 1.00 . A A . 20 HIS HD1 1 1 21 24748 1 1 20 HIS HD2 H -2.775 1.359 -5.214 1.00 . A A . 20 HIS HD2 1 1 21 24749 1 1 20 HIS HE1 H -0.264 -2.019 -4.800 1.00 . A A . 20 HIS HE1 1 1 21 24750 1 1 20 HIS N N -0.156 1.250 -9.280 1.00 . A A . 20 HIS N 1 1 21 24751 1 1 20 HIS ND1 N -0.081 -0.257 -6.016 1.00 . A A . 20 HIS ND1 1 1 21 24752 1 1 20 HIS NE2 N -1.831 -0.564 -4.698 1.00 . A A . 20 HIS NE2 1 1 21 24753 1 1 20 HIS O O -2.236 4.020 -9.140 1.00 . A A . 20 HIS O 1 1 21 24754 1 1 21 ALA C C -0.933 5.339 -11.427 1.00 . A A . 21 ALA C 1 1 21 24755 1 1 21 ALA CA C -0.021 5.288 -10.191 1.00 . A A . 21 ALA CA 1 1 21 24756 1 1 21 ALA CB C 1.418 5.713 -10.500 1.00 . A A . 21 ALA CB 1 1 21 24757 1 1 21 ALA H H 0.800 3.391 -9.554 1.00 . A A . 21 ALA H 1 1 21 24758 1 1 21 ALA HA H -0.412 6.005 -9.467 1.00 . A A . 21 ALA HA 1 1 21 24759 1 1 21 ALA HB1 H 1.874 5.066 -11.243 1.00 . A A . 21 ALA HB1 1 1 21 24760 1 1 21 ALA HB2 H 1.411 6.732 -10.883 1.00 . A A . 21 ALA HB2 1 1 21 24761 1 1 21 ALA HB3 H 2.019 5.670 -9.591 1.00 . A A . 21 ALA HB3 1 1 21 24762 1 1 21 ALA N N -0.039 3.974 -9.564 1.00 . A A . 21 ALA N 1 1 21 24763 1 1 21 ALA O O -1.832 6.160 -11.502 1.00 . A A . 21 ALA O 1 1 21 24764 1 1 22 GLU C C -2.950 4.152 -13.452 1.00 . A A . 22 GLU C 1 1 21 24765 1 1 22 GLU CA C -1.473 4.500 -13.670 1.00 . A A . 22 GLU CA 1 1 21 24766 1 1 22 GLU CB C -0.785 3.633 -14.745 1.00 . A A . 22 GLU CB 1 1 21 24767 1 1 22 GLU CD C 0.047 1.281 -15.364 1.00 . A A . 22 GLU CD 1 1 21 24768 1 1 22 GLU CG C -0.871 2.122 -14.484 1.00 . A A . 22 GLU CG 1 1 21 24769 1 1 22 GLU H H -0.078 3.733 -12.212 1.00 . A A . 22 GLU H 1 1 21 24770 1 1 22 GLU HA H -1.436 5.529 -14.036 1.00 . A A . 22 GLU HA 1 1 21 24771 1 1 22 GLU HB2 H -1.242 3.835 -15.715 1.00 . A A . 22 GLU HB2 1 1 21 24772 1 1 22 GLU HB3 H 0.266 3.919 -14.802 1.00 . A A . 22 GLU HB3 1 1 21 24773 1 1 22 GLU HG2 H -0.573 1.947 -13.459 1.00 . A A . 22 GLU HG2 1 1 21 24774 1 1 22 GLU HG3 H -1.892 1.775 -14.629 1.00 . A A . 22 GLU HG3 1 1 21 24775 1 1 22 GLU N N -0.742 4.461 -12.403 1.00 . A A . 22 GLU N 1 1 21 24776 1 1 22 GLU O O -3.835 4.786 -14.021 1.00 . A A . 22 GLU O 1 1 21 24777 1 1 22 GLU OE1 O 0.585 1.812 -16.357 1.00 . A A . 22 GLU OE1 1 1 21 24778 1 1 22 GLU OE2 O 0.225 0.088 -15.025 1.00 . A A . 22 GLU OE2 1 1 21 24779 1 1 23 LYS C C -5.301 3.848 -11.543 1.00 . A A . 23 LYS C 1 1 21 24780 1 1 23 LYS CA C -4.546 2.715 -12.238 1.00 . A A . 23 LYS CA 1 1 21 24781 1 1 23 LYS CB C -4.430 1.498 -11.307 1.00 . A A . 23 LYS CB 1 1 21 24782 1 1 23 LYS CD C -4.693 -0.515 -12.853 1.00 . A A . 23 LYS CD 1 1 21 24783 1 1 23 LYS CE C -5.611 -1.390 -11.982 1.00 . A A . 23 LYS CE 1 1 21 24784 1 1 23 LYS CG C -3.740 0.300 -11.981 1.00 . A A . 23 LYS CG 1 1 21 24785 1 1 23 LYS H H -2.430 2.638 -12.217 1.00 . A A . 23 LYS H 1 1 21 24786 1 1 23 LYS HA H -5.097 2.442 -13.138 1.00 . A A . 23 LYS HA 1 1 21 24787 1 1 23 LYS HB2 H -3.835 1.786 -10.440 1.00 . A A . 23 LYS HB2 1 1 21 24788 1 1 23 LYS HB3 H -5.418 1.212 -10.949 1.00 . A A . 23 LYS HB3 1 1 21 24789 1 1 23 LYS HD2 H -5.255 0.185 -13.471 1.00 . A A . 23 LYS HD2 1 1 21 24790 1 1 23 LYS HD3 H -4.064 -1.134 -13.492 1.00 . A A . 23 LYS HD3 1 1 21 24791 1 1 23 LYS HE2 H -5.027 -1.808 -11.161 1.00 . A A . 23 LYS HE2 1 1 21 24792 1 1 23 LYS HE3 H -6.421 -0.792 -11.559 1.00 . A A . 23 LYS HE3 1 1 21 24793 1 1 23 LYS HG2 H -2.931 0.638 -12.629 1.00 . A A . 23 LYS HG2 1 1 21 24794 1 1 23 LYS HG3 H -3.293 -0.334 -11.215 1.00 . A A . 23 LYS HG3 1 1 21 24795 1 1 23 LYS HZ1 H -6.848 -2.264 -13.410 1.00 . A A . 23 LYS HZ1 1 1 21 24796 1 1 23 LYS HZ2 H -5.455 -3.118 -13.096 1.00 . A A . 23 LYS HZ2 1 1 21 24797 1 1 23 LYS HZ3 H -6.652 -3.131 -12.013 1.00 . A A . 23 LYS HZ3 1 1 21 24798 1 1 23 LYS N N -3.212 3.146 -12.615 1.00 . A A . 23 LYS N 1 1 21 24799 1 1 23 LYS NZ N -6.183 -2.541 -12.706 1.00 . A A . 23 LYS NZ 1 1 21 24800 1 1 23 LYS O O -6.463 4.097 -11.857 1.00 . A A . 23 LYS O 1 1 21 24801 1 1 24 LEU C C -5.056 6.876 -10.087 1.00 . A A . 24 LEU C 1 1 21 24802 1 1 24 LEU CA C -5.310 5.429 -9.661 1.00 . A A . 24 LEU CA 1 1 21 24803 1 1 24 LEU CB C -4.854 5.200 -8.216 1.00 . A A . 24 LEU CB 1 1 21 24804 1 1 24 LEU CD1 C -4.242 3.584 -6.423 1.00 . A A . 24 LEU CD1 1 1 21 24805 1 1 24 LEU CD2 C -6.435 3.307 -7.674 1.00 . A A . 24 LEU CD2 1 1 21 24806 1 1 24 LEU CG C -4.968 3.736 -7.761 1.00 . A A . 24 LEU CG 1 1 21 24807 1 1 24 LEU H H -3.710 4.191 -10.344 1.00 . A A . 24 LEU H 1 1 21 24808 1 1 24 LEU HA H -6.390 5.273 -9.683 1.00 . A A . 24 LEU HA 1 1 21 24809 1 1 24 LEU HB2 H -3.827 5.540 -8.096 1.00 . A A . 24 LEU HB2 1 1 21 24810 1 1 24 LEU HB3 H -5.480 5.813 -7.567 1.00 . A A . 24 LEU HB3 1 1 21 24811 1 1 24 LEU HD11 H -3.168 3.654 -6.589 1.00 . A A . 24 LEU HD11 1 1 21 24812 1 1 24 LEU HD12 H -4.524 4.373 -5.735 1.00 . A A . 24 LEU HD12 1 1 21 24813 1 1 24 LEU HD13 H -4.471 2.614 -5.989 1.00 . A A . 24 LEU HD13 1 1 21 24814 1 1 24 LEU HD21 H -7.024 4.053 -7.144 1.00 . A A . 24 LEU HD21 1 1 21 24815 1 1 24 LEU HD22 H -6.841 3.186 -8.679 1.00 . A A . 24 LEU HD22 1 1 21 24816 1 1 24 LEU HD23 H -6.508 2.354 -7.154 1.00 . A A . 24 LEU HD23 1 1 21 24817 1 1 24 LEU HG H -4.473 3.061 -8.456 1.00 . A A . 24 LEU HG 1 1 21 24818 1 1 24 LEU N N -4.660 4.480 -10.556 1.00 . A A . 24 LEU N 1 1 21 24819 1 1 24 LEU O O -6.005 7.623 -10.308 1.00 . A A . 24 LEU O 1 1 21 24820 1 1 25 GLY C C -2.013 8.859 -9.907 1.00 . A A . 25 GLY C 1 1 21 24821 1 1 25 GLY CA C -3.381 8.624 -10.535 1.00 . A A . 25 GLY CA 1 1 21 24822 1 1 25 GLY H H -3.009 6.623 -10.133 1.00 . A A . 25 GLY H 1 1 21 24823 1 1 25 GLY HA2 H -3.302 8.696 -11.621 1.00 . A A . 25 GLY HA2 1 1 21 24824 1 1 25 GLY HA3 H -4.096 9.366 -10.178 1.00 . A A . 25 GLY HA3 1 1 21 24825 1 1 25 GLY N N -3.786 7.283 -10.177 1.00 . A A . 25 GLY N 1 1 21 24826 1 1 25 GLY O O -0.983 8.602 -10.526 1.00 . A A . 25 GLY O 1 1 21 24827 1 1 26 CYS C C -1.268 10.221 -6.529 1.00 . A A . 26 CYS C 1 1 21 24828 1 1 26 CYS CA C -0.815 9.643 -7.869 1.00 . A A . 26 CYS CA 1 1 21 24829 1 1 26 CYS CB C 0.061 10.656 -8.595 1.00 . A A . 26 CYS CB 1 1 21 24830 1 1 26 CYS H H -2.940 9.475 -8.242 1.00 . A A . 26 CYS H 1 1 21 24831 1 1 26 CYS HA H -0.269 8.719 -7.688 1.00 . A A . 26 CYS HA 1 1 21 24832 1 1 26 CYS HB2 H 0.070 10.531 -9.673 1.00 . A A . 26 CYS HB2 1 1 21 24833 1 1 26 CYS HB3 H -0.292 11.670 -8.406 1.00 . A A . 26 CYS HB3 1 1 21 24834 1 1 26 CYS N N -2.012 9.318 -8.655 1.00 . A A . 26 CYS N 1 1 21 24835 1 1 26 CYS O O -0.914 9.747 -5.444 1.00 . A A . 26 CYS O 1 1 21 24836 1 1 26 CYS SG S 1.775 10.544 -8.038 1.00 . A A . 26 CYS SG 1 1 21 24837 1 1 27 ASP C C -3.490 10.856 -4.659 1.00 . A A . 27 ASP C 1 1 21 24838 1 1 27 ASP CA C -3.020 11.850 -5.714 1.00 . A A . 27 ASP CA 1 1 21 24839 1 1 27 ASP CB C -4.227 12.400 -6.502 1.00 . A A . 27 ASP CB 1 1 21 24840 1 1 27 ASP CG C -4.987 11.350 -7.325 1.00 . A A . 27 ASP CG 1 1 21 24841 1 1 27 ASP H H -2.497 11.251 -7.626 1.00 . A A . 27 ASP H 1 1 21 24842 1 1 27 ASP HA H -2.501 12.674 -5.217 1.00 . A A . 27 ASP HA 1 1 21 24843 1 1 27 ASP HB2 H -4.926 12.850 -5.796 1.00 . A A . 27 ASP HB2 1 1 21 24844 1 1 27 ASP HB3 H -3.887 13.180 -7.184 1.00 . A A . 27 ASP HB3 1 1 21 24845 1 1 27 ASP N N -2.132 11.223 -6.680 1.00 . A A . 27 ASP N 1 1 21 24846 1 1 27 ASP O O -3.453 11.136 -3.465 1.00 . A A . 27 ASP O 1 1 21 24847 1 1 27 ASP OD1 O -4.344 10.343 -7.721 1.00 . A A . 27 ASP OD1 1 1 21 24848 1 1 27 ASP OD2 O -6.193 11.572 -7.542 1.00 . A A . 27 ASP OD2 1 1 21 24849 1 1 28 ALA C C -3.575 8.294 -3.106 1.00 . A A . 28 ALA C 1 1 21 24850 1 1 28 ALA CA C -4.383 8.545 -4.379 1.00 . A A . 28 ALA CA 1 1 21 24851 1 1 28 ALA CB C -4.337 7.327 -5.297 1.00 . A A . 28 ALA CB 1 1 21 24852 1 1 28 ALA H H -3.928 9.627 -6.151 1.00 . A A . 28 ALA H 1 1 21 24853 1 1 28 ALA HA H -5.420 8.740 -4.105 1.00 . A A . 28 ALA HA 1 1 21 24854 1 1 28 ALA HB1 H -4.739 6.465 -4.769 1.00 . A A . 28 ALA HB1 1 1 21 24855 1 1 28 ALA HB2 H -4.938 7.528 -6.182 1.00 . A A . 28 ALA HB2 1 1 21 24856 1 1 28 ALA HB3 H -3.309 7.121 -5.598 1.00 . A A . 28 ALA HB3 1 1 21 24857 1 1 28 ALA N N -3.903 9.683 -5.136 1.00 . A A . 28 ALA N 1 1 21 24858 1 1 28 ALA O O -4.143 7.894 -2.092 1.00 . A A . 28 ALA O 1 1 21 24859 1 1 29 CYS C C -0.657 9.728 -1.771 1.00 . A A . 29 CYS C 1 1 21 24860 1 1 29 CYS CA C -1.365 8.395 -2.028 1.00 . A A . 29 CYS CA 1 1 21 24861 1 1 29 CYS CB C -0.377 7.283 -2.270 1.00 . A A . 29 CYS CB 1 1 21 24862 1 1 29 CYS H H -1.878 8.842 -4.056 1.00 . A A . 29 CYS H 1 1 21 24863 1 1 29 CYS HA H -1.928 8.150 -1.125 1.00 . A A . 29 CYS HA 1 1 21 24864 1 1 29 CYS HB2 H 0.270 7.563 -3.101 1.00 . A A . 29 CYS HB2 1 1 21 24865 1 1 29 CYS HB3 H 0.235 7.141 -1.379 1.00 . A A . 29 CYS HB3 1 1 21 24866 1 1 29 CYS N N -2.258 8.511 -3.174 1.00 . A A . 29 CYS N 1 1 21 24867 1 1 29 CYS O O -0.559 10.184 -0.632 1.00 . A A . 29 CYS O 1 1 21 24868 1 1 29 CYS SG S -1.242 5.726 -2.666 1.00 . A A . 29 CYS SG 1 1 21 24869 1 1 30 HIS C C 0.085 12.797 -2.735 1.00 . A A . 30 HIS C 1 1 21 24870 1 1 30 HIS CA C 0.807 11.462 -2.665 1.00 . A A . 30 HIS CA 1 1 21 24871 1 1 30 HIS CB C 1.909 11.371 -3.717 1.00 . A A . 30 HIS CB 1 1 21 24872 1 1 30 HIS CD2 C 3.080 9.162 -4.173 1.00 . A A . 30 HIS CD2 1 1 21 24873 1 1 30 HIS CE1 C 4.597 9.183 -2.604 1.00 . A A . 30 HIS CE1 1 1 21 24874 1 1 30 HIS CG C 2.873 10.267 -3.417 1.00 . A A . 30 HIS CG 1 1 21 24875 1 1 30 HIS H H -0.319 10.020 -3.756 1.00 . A A . 30 HIS H 1 1 21 24876 1 1 30 HIS HA H 1.295 11.416 -1.690 1.00 . A A . 30 HIS HA 1 1 21 24877 1 1 30 HIS HB2 H 1.462 11.237 -4.704 1.00 . A A . 30 HIS HB2 1 1 21 24878 1 1 30 HIS HB3 H 2.465 12.308 -3.736 1.00 . A A . 30 HIS HB3 1 1 21 24879 1 1 30 HIS HD1 H 3.912 10.989 -1.724 1.00 . A A . 30 HIS HD1 1 1 21 24880 1 1 30 HIS HD2 H 2.529 8.887 -5.048 1.00 . A A . 30 HIS HD2 1 1 21 24881 1 1 30 HIS HE1 H 5.473 8.904 -2.040 1.00 . A A . 30 HIS HE1 1 1 21 24882 1 1 30 HIS N N -0.114 10.350 -2.819 1.00 . A A . 30 HIS N 1 1 21 24883 1 1 30 HIS ND1 N 3.812 10.268 -2.419 1.00 . A A . 30 HIS ND1 1 1 21 24884 1 1 30 HIS NE2 N 4.184 8.484 -3.665 1.00 . A A . 30 HIS NE2 1 1 21 24885 1 1 30 HIS O O 0.266 13.549 -3.691 1.00 . A A . 30 HIS O 1 1 21 24886 1 1 31 GLU C C -0.069 15.420 -1.225 1.00 . A A . 31 GLU C 1 1 21 24887 1 1 31 GLU CA C -1.216 14.461 -1.538 1.00 . A A . 31 GLU CA 1 1 21 24888 1 1 31 GLU CB C -2.278 14.522 -0.423 1.00 . A A . 31 GLU CB 1 1 21 24889 1 1 31 GLU CD C -4.407 13.559 0.459 1.00 . A A . 31 GLU CD 1 1 21 24890 1 1 31 GLU CG C -3.170 13.285 -0.385 1.00 . A A . 31 GLU CG 1 1 21 24891 1 1 31 GLU H H -0.775 12.425 -0.952 1.00 . A A . 31 GLU H 1 1 21 24892 1 1 31 GLU HA H -1.692 14.740 -2.481 1.00 . A A . 31 GLU HA 1 1 21 24893 1 1 31 GLU HB2 H -1.857 14.628 0.575 1.00 . A A . 31 GLU HB2 1 1 21 24894 1 1 31 GLU HB3 H -2.904 15.397 -0.611 1.00 . A A . 31 GLU HB3 1 1 21 24895 1 1 31 GLU HG2 H -3.456 13.048 -1.404 1.00 . A A . 31 GLU HG2 1 1 21 24896 1 1 31 GLU HG3 H -2.638 12.433 0.039 1.00 . A A . 31 GLU HG3 1 1 21 24897 1 1 31 GLU N N -0.661 13.121 -1.681 1.00 . A A . 31 GLU N 1 1 21 24898 1 1 31 GLU O O 0.300 16.295 -2.006 1.00 . A A . 31 GLU O 1 1 21 24899 1 1 31 GLU OE1 O -5.323 14.220 -0.074 1.00 . A A . 31 GLU OE1 1 1 21 24900 1 1 31 GLU OE2 O -4.387 13.153 1.641 1.00 . A A . 31 GLU OE2 1 1 21 24901 1 1 32 GLY C C 2.863 16.036 0.047 1.00 . A A . 32 GLY C 1 1 21 24902 1 1 32 GLY CA C 1.435 16.161 0.577 1.00 . A A . 32 GLY CA 1 1 21 24903 1 1 32 GLY H H 0.139 14.450 0.495 1.00 . A A . 32 GLY H 1 1 21 24904 1 1 32 GLY HA2 H 1.087 17.182 0.410 1.00 . A A . 32 GLY HA2 1 1 21 24905 1 1 32 GLY HA3 H 1.439 15.976 1.652 1.00 . A A . 32 GLY HA3 1 1 21 24906 1 1 32 GLY N N 0.510 15.224 -0.043 1.00 . A A . 32 GLY N 1 1 21 24907 1 1 32 GLY O O 3.795 15.995 0.842 1.00 . A A . 32 GLY O 1 1 21 24908 1 1 33 THR C C 4.950 14.559 -1.862 1.00 . A A . 33 THR C 1 1 21 24909 1 1 33 THR CA C 4.317 15.959 -1.982 1.00 . A A . 33 THR CA 1 1 21 24910 1 1 33 THR CB C 5.284 17.056 -1.490 1.00 . A A . 33 THR CB 1 1 21 24911 1 1 33 THR CG2 C 6.513 17.198 -2.393 1.00 . A A . 33 THR CG2 1 1 21 24912 1 1 33 THR H H 2.191 16.128 -1.844 1.00 . A A . 33 THR H 1 1 21 24913 1 1 33 THR HA H 4.081 16.179 -3.022 1.00 . A A . 33 THR HA 1 1 21 24914 1 1 33 THR HB H 5.642 16.827 -0.485 1.00 . A A . 33 THR HB 1 1 21 24915 1 1 33 THR HG1 H 3.896 18.252 -0.848 1.00 . A A . 33 THR HG1 1 1 21 24916 1 1 33 THR HG21 H 7.151 17.991 -2.000 1.00 . A A . 33 THR HG21 1 1 21 24917 1 1 33 THR HG22 H 7.087 16.272 -2.414 1.00 . A A . 33 THR HG22 1 1 21 24918 1 1 33 THR HG23 H 6.207 17.467 -3.404 1.00 . A A . 33 THR HG23 1 1 21 24919 1 1 33 THR N N 3.032 16.037 -1.281 1.00 . A A . 33 THR N 1 1 21 24920 1 1 33 THR O O 5.074 14.032 -0.759 1.00 . A A . 33 THR O 1 1 21 24921 1 1 33 THR OG1 O 4.620 18.302 -1.477 1.00 . A A . 33 THR OG1 1 1 21 24922 1 1 34 PRO C C 7.515 12.726 -2.440 1.00 . A A . 34 PRO C 1 1 21 24923 1 1 34 PRO CA C 6.066 12.631 -2.915 1.00 . A A . 34 PRO CA 1 1 21 24924 1 1 34 PRO CB C 5.949 12.071 -4.330 1.00 . A A . 34 PRO CB 1 1 21 24925 1 1 34 PRO CD C 5.267 14.372 -4.336 1.00 . A A . 34 PRO CD 1 1 21 24926 1 1 34 PRO CG C 6.026 13.339 -5.168 1.00 . A A . 34 PRO CG 1 1 21 24927 1 1 34 PRO HA H 5.578 11.960 -2.223 1.00 . A A . 34 PRO HA 1 1 21 24928 1 1 34 PRO HB2 H 6.728 11.347 -4.567 1.00 . A A . 34 PRO HB2 1 1 21 24929 1 1 34 PRO HB3 H 4.972 11.614 -4.478 1.00 . A A . 34 PRO HB3 1 1 21 24930 1 1 34 PRO HD2 H 5.687 15.364 -4.504 1.00 . A A . 34 PRO HD2 1 1 21 24931 1 1 34 PRO HD3 H 4.211 14.359 -4.614 1.00 . A A . 34 PRO HD3 1 1 21 24932 1 1 34 PRO HG2 H 7.070 13.633 -5.259 1.00 . A A . 34 PRO HG2 1 1 21 24933 1 1 34 PRO HG3 H 5.574 13.191 -6.142 1.00 . A A . 34 PRO HG3 1 1 21 24934 1 1 34 PRO N N 5.409 13.933 -2.959 1.00 . A A . 34 PRO N 1 1 21 24935 1 1 34 PRO O O 8.416 12.117 -3.019 1.00 . A A . 34 PRO O 1 1 21 24936 1 1 35 ALA C C 9.141 12.179 0.208 1.00 . A A . 35 ALA C 1 1 21 24937 1 1 35 ALA CA C 9.039 13.430 -0.668 1.00 . A A . 35 ALA CA 1 1 21 24938 1 1 35 ALA CB C 9.161 14.732 0.125 1.00 . A A . 35 ALA CB 1 1 21 24939 1 1 35 ALA H H 6.949 13.770 -0.808 1.00 . A A . 35 ALA H 1 1 21 24940 1 1 35 ALA HA H 9.846 13.410 -1.403 1.00 . A A . 35 ALA HA 1 1 21 24941 1 1 35 ALA HB1 H 9.061 15.574 -0.560 1.00 . A A . 35 ALA HB1 1 1 21 24942 1 1 35 ALA HB2 H 8.373 14.786 0.878 1.00 . A A . 35 ALA HB2 1 1 21 24943 1 1 35 ALA HB3 H 10.135 14.779 0.613 1.00 . A A . 35 ALA HB3 1 1 21 24944 1 1 35 ALA N N 7.745 13.415 -1.325 1.00 . A A . 35 ALA N 1 1 21 24945 1 1 35 ALA O O 9.361 12.283 1.414 1.00 . A A . 35 ALA O 1 1 21 24946 1 1 36 LYS C C 7.409 9.747 1.068 1.00 . A A . 36 LYS C 1 1 21 24947 1 1 36 LYS CA C 8.719 9.738 0.276 1.00 . A A . 36 LYS CA 1 1 21 24948 1 1 36 LYS CB C 9.922 9.360 1.175 1.00 . A A . 36 LYS CB 1 1 21 24949 1 1 36 LYS CD C 11.585 7.425 1.620 1.00 . A A . 36 LYS CD 1 1 21 24950 1 1 36 LYS CE C 10.843 6.979 2.890 1.00 . A A . 36 LYS CE 1 1 21 24951 1 1 36 LYS CG C 10.647 8.128 0.634 1.00 . A A . 36 LYS CG 1 1 21 24952 1 1 36 LYS H H 8.801 11.031 -1.417 1.00 . A A . 36 LYS H 1 1 21 24953 1 1 36 LYS HA H 8.548 8.982 -0.489 1.00 . A A . 36 LYS HA 1 1 21 24954 1 1 36 LYS HB2 H 10.654 10.165 1.237 1.00 . A A . 36 LYS HB2 1 1 21 24955 1 1 36 LYS HB3 H 9.564 9.171 2.185 1.00 . A A . 36 LYS HB3 1 1 21 24956 1 1 36 LYS HD2 H 11.987 6.563 1.079 1.00 . A A . 36 LYS HD2 1 1 21 24957 1 1 36 LYS HD3 H 12.414 8.088 1.876 1.00 . A A . 36 LYS HD3 1 1 21 24958 1 1 36 LYS HE2 H 11.022 7.698 3.691 1.00 . A A . 36 LYS HE2 1 1 21 24959 1 1 36 LYS HE3 H 9.769 6.942 2.697 1.00 . A A . 36 LYS HE3 1 1 21 24960 1 1 36 LYS HG2 H 9.920 7.390 0.303 1.00 . A A . 36 LYS HG2 1 1 21 24961 1 1 36 LYS HG3 H 11.250 8.442 -0.219 1.00 . A A . 36 LYS HG3 1 1 21 24962 1 1 36 LYS HZ1 H 12.203 5.426 3.239 1.00 . A A . 36 LYS HZ1 1 1 21 24963 1 1 36 LYS HZ2 H 10.885 5.450 4.257 1.00 . A A . 36 LYS HZ2 1 1 21 24964 1 1 36 LYS HZ3 H 10.672 4.965 2.752 1.00 . A A . 36 LYS HZ3 1 1 21 24965 1 1 36 LYS N N 8.948 11.005 -0.411 1.00 . A A . 36 LYS N 1 1 21 24966 1 1 36 LYS NZ N 11.218 5.619 3.321 1.00 . A A . 36 LYS NZ 1 1 21 24967 1 1 36 LYS O O 6.807 10.793 1.298 1.00 . A A . 36 LYS O 1 1 21 24968 1 1 37 ILE C C 6.925 7.729 3.709 1.00 . A A . 37 ILE C 1 1 21 24969 1 1 37 ILE CA C 6.079 8.409 2.624 1.00 . A A . 37 ILE CA 1 1 21 24970 1 1 37 ILE CB C 4.789 7.644 2.243 1.00 . A A . 37 ILE CB 1 1 21 24971 1 1 37 ILE CD1 C 3.490 9.459 0.936 1.00 . A A . 37 ILE CD1 1 1 21 24972 1 1 37 ILE CG1 C 4.185 8.093 0.916 1.00 . A A . 37 ILE CG1 1 1 21 24973 1 1 37 ILE CG2 C 3.702 7.726 3.335 1.00 . A A . 37 ILE CG2 1 1 21 24974 1 1 37 ILE H H 7.436 7.715 1.148 1.00 . A A . 37 ILE H 1 1 21 24975 1 1 37 ILE HA H 5.788 9.386 3.009 1.00 . A A . 37 ILE HA 1 1 21 24976 1 1 37 ILE HB H 5.035 6.603 2.038 1.00 . A A . 37 ILE HB 1 1 21 24977 1 1 37 ILE HD11 H 3.055 9.649 -0.041 1.00 . A A . 37 ILE HD11 1 1 21 24978 1 1 37 ILE HD12 H 2.675 9.475 1.658 1.00 . A A . 37 ILE HD12 1 1 21 24979 1 1 37 ILE HD13 H 4.204 10.246 1.174 1.00 . A A . 37 ILE HD13 1 1 21 24980 1 1 37 ILE HG12 H 4.952 8.065 0.150 1.00 . A A . 37 ILE HG12 1 1 21 24981 1 1 37 ILE HG13 H 3.468 7.323 0.663 1.00 . A A . 37 ILE HG13 1 1 21 24982 1 1 37 ILE HG21 H 3.969 7.199 4.249 1.00 . A A . 37 ILE HG21 1 1 21 24983 1 1 37 ILE HG22 H 3.516 8.765 3.603 1.00 . A A . 37 ILE HG22 1 1 21 24984 1 1 37 ILE HG23 H 2.776 7.285 2.962 1.00 . A A . 37 ILE HG23 1 1 21 24985 1 1 37 ILE N N 6.969 8.552 1.478 1.00 . A A . 37 ILE N 1 1 21 24986 1 1 37 ILE O O 8.005 8.216 4.032 1.00 . A A . 37 ILE O 1 1 21 24987 1 1 38 ALA C C 5.821 4.975 5.838 1.00 . A A . 38 ALA C 1 1 21 24988 1 1 38 ALA CA C 6.999 5.763 5.280 1.00 . A A . 38 ALA CA 1 1 21 24989 1 1 38 ALA CB C 7.610 6.609 6.394 1.00 . A A . 38 ALA CB 1 1 21 24990 1 1 38 ALA H H 5.559 6.298 3.866 1.00 . A A . 38 ALA H 1 1 21 24991 1 1 38 ALA HA H 7.739 5.071 4.870 1.00 . A A . 38 ALA HA 1 1 21 24992 1 1 38 ALA HB1 H 7.779 5.984 7.272 1.00 . A A . 38 ALA HB1 1 1 21 24993 1 1 38 ALA HB2 H 8.558 7.040 6.082 1.00 . A A . 38 ALA HB2 1 1 21 24994 1 1 38 ALA HB3 H 6.896 7.395 6.641 1.00 . A A . 38 ALA HB3 1 1 21 24995 1 1 38 ALA N N 6.451 6.593 4.218 1.00 . A A . 38 ALA N 1 1 21 24996 1 1 38 ALA O O 5.355 5.227 6.947 1.00 . A A . 38 ALA O 1 1 21 24997 1 1 39 ILE C C 4.588 2.280 6.487 1.00 . A A . 39 ILE C 1 1 21 24998 1 1 39 ILE CA C 4.129 3.292 5.446 1.00 . A A . 39 ILE CA 1 1 21 24999 1 1 39 ILE CB C 3.483 2.638 4.223 1.00 . A A . 39 ILE CB 1 1 21 25000 1 1 39 ILE CD1 C 1.568 4.360 3.860 1.00 . A A . 39 ILE CD1 1 1 21 25001 1 1 39 ILE CG1 C 2.846 3.707 3.324 1.00 . A A . 39 ILE CG1 1 1 21 25002 1 1 39 ILE CG2 C 2.469 1.561 4.616 1.00 . A A . 39 ILE CG2 1 1 21 25003 1 1 39 ILE H H 5.735 3.840 4.159 1.00 . A A . 39 ILE H 1 1 21 25004 1 1 39 ILE HA H 3.396 3.952 5.911 1.00 . A A . 39 ILE HA 1 1 21 25005 1 1 39 ILE HB H 4.270 2.141 3.652 1.00 . A A . 39 ILE HB 1 1 21 25006 1 1 39 ILE HD11 H 1.765 4.920 4.773 1.00 . A A . 39 ILE HD11 1 1 21 25007 1 1 39 ILE HD12 H 1.187 5.052 3.109 1.00 . A A . 39 ILE HD12 1 1 21 25008 1 1 39 ILE HD13 H 0.805 3.608 4.050 1.00 . A A . 39 ILE HD13 1 1 21 25009 1 1 39 ILE HG12 H 3.565 4.499 3.128 1.00 . A A . 39 ILE HG12 1 1 21 25010 1 1 39 ILE HG13 H 2.608 3.220 2.387 1.00 . A A . 39 ILE HG13 1 1 21 25011 1 1 39 ILE HG21 H 2.977 0.767 5.157 1.00 . A A . 39 ILE HG21 1 1 21 25012 1 1 39 ILE HG22 H 1.690 1.972 5.256 1.00 . A A . 39 ILE HG22 1 1 21 25013 1 1 39 ILE HG23 H 2.031 1.129 3.720 1.00 . A A . 39 ILE HG23 1 1 21 25014 1 1 39 ILE N N 5.280 4.068 5.031 1.00 . A A . 39 ILE N 1 1 21 25015 1 1 39 ILE O O 5.394 1.405 6.180 1.00 . A A . 39 ILE O 1 1 21 25016 1 1 40 ASP C C 2.954 0.661 8.967 1.00 . A A . 40 ASP C 1 1 21 25017 1 1 40 ASP CA C 4.228 1.460 8.777 1.00 . A A . 40 ASP CA 1 1 21 25018 1 1 40 ASP CB C 4.560 2.140 10.108 1.00 . A A . 40 ASP CB 1 1 21 25019 1 1 40 ASP CG C 3.317 2.619 10.848 1.00 . A A . 40 ASP CG 1 1 21 25020 1 1 40 ASP H H 3.324 3.103 7.811 1.00 . A A . 40 ASP H 1 1 21 25021 1 1 40 ASP HA H 5.063 0.802 8.540 1.00 . A A . 40 ASP HA 1 1 21 25022 1 1 40 ASP HB2 H 5.057 1.406 10.742 1.00 . A A . 40 ASP HB2 1 1 21 25023 1 1 40 ASP HB3 H 5.262 2.934 9.938 1.00 . A A . 40 ASP HB3 1 1 21 25024 1 1 40 ASP N N 4.044 2.409 7.695 1.00 . A A . 40 ASP N 1 1 21 25025 1 1 40 ASP O O 1.907 0.969 8.402 1.00 . A A . 40 ASP O 1 1 21 25026 1 1 40 ASP OD1 O 2.534 3.389 10.242 1.00 . A A . 40 ASP OD1 1 1 21 25027 1 1 40 ASP OD2 O 3.103 2.109 11.972 1.00 . A A . 40 ASP OD2 1 1 21 25028 1 1 41 LYS C C 0.754 -0.403 10.663 1.00 . A A . 41 LYS C 1 1 21 25029 1 1 41 LYS CA C 2.015 -1.185 10.318 1.00 . A A . 41 LYS CA 1 1 21 25030 1 1 41 LYS CB C 2.554 -1.984 11.505 1.00 . A A . 41 LYS CB 1 1 21 25031 1 1 41 LYS CD C 4.152 -2.140 13.378 1.00 . A A . 41 LYS CD 1 1 21 25032 1 1 41 LYS CE C 4.874 -1.528 14.578 1.00 . A A . 41 LYS CE 1 1 21 25033 1 1 41 LYS CG C 3.219 -1.179 12.636 1.00 . A A . 41 LYS CG 1 1 21 25034 1 1 41 LYS H H 4.038 -0.530 10.112 1.00 . A A . 41 LYS H 1 1 21 25035 1 1 41 LYS HA H 1.762 -1.890 9.525 1.00 . A A . 41 LYS HA 1 1 21 25036 1 1 41 LYS HB2 H 1.751 -2.584 11.913 1.00 . A A . 41 LYS HB2 1 1 21 25037 1 1 41 LYS HB3 H 3.297 -2.656 11.092 1.00 . A A . 41 LYS HB3 1 1 21 25038 1 1 41 LYS HD2 H 3.580 -3.016 13.689 1.00 . A A . 41 LYS HD2 1 1 21 25039 1 1 41 LYS HD3 H 4.924 -2.435 12.663 1.00 . A A . 41 LYS HD3 1 1 21 25040 1 1 41 LYS HE2 H 5.450 -0.665 14.236 1.00 . A A . 41 LYS HE2 1 1 21 25041 1 1 41 LYS HE3 H 4.148 -1.202 15.324 1.00 . A A . 41 LYS HE3 1 1 21 25042 1 1 41 LYS HG2 H 3.824 -0.363 12.237 1.00 . A A . 41 LYS HG2 1 1 21 25043 1 1 41 LYS HG3 H 2.461 -0.770 13.301 1.00 . A A . 41 LYS HG3 1 1 21 25044 1 1 41 LYS HZ1 H 6.407 -2.104 15.858 1.00 . A A . 41 LYS HZ1 1 1 21 25045 1 1 41 LYS HZ2 H 5.290 -3.287 15.580 1.00 . A A . 41 LYS HZ2 1 1 21 25046 1 1 41 LYS HZ3 H 6.369 -2.955 14.443 1.00 . A A . 41 LYS HZ3 1 1 21 25047 1 1 41 LYS N N 3.073 -0.332 9.832 1.00 . A A . 41 LYS N 1 1 21 25048 1 1 41 LYS NZ N 5.797 -2.518 15.171 1.00 . A A . 41 LYS NZ 1 1 21 25049 1 1 41 LYS O O -0.328 -0.746 10.187 1.00 . A A . 41 LYS O 1 1 21 25050 1 1 42 LYS C C -0.839 2.012 10.480 1.00 . A A . 42 LYS C 1 1 21 25051 1 1 42 LYS CA C -0.235 1.517 11.789 1.00 . A A . 42 LYS CA 1 1 21 25052 1 1 42 LYS CB C 0.166 2.712 12.665 1.00 . A A . 42 LYS CB 1 1 21 25053 1 1 42 LYS CD C 1.364 3.558 14.686 1.00 . A A . 42 LYS CD 1 1 21 25054 1 1 42 LYS CE C 0.908 3.810 16.128 1.00 . A A . 42 LYS CE 1 1 21 25055 1 1 42 LYS CG C 0.715 2.321 14.040 1.00 . A A . 42 LYS CG 1 1 21 25056 1 1 42 LYS H H 1.829 0.936 11.751 1.00 . A A . 42 LYS H 1 1 21 25057 1 1 42 LYS HA H -0.991 0.938 12.321 1.00 . A A . 42 LYS HA 1 1 21 25058 1 1 42 LYS HB2 H 0.906 3.313 12.144 1.00 . A A . 42 LYS HB2 1 1 21 25059 1 1 42 LYS HB3 H -0.716 3.338 12.817 1.00 . A A . 42 LYS HB3 1 1 21 25060 1 1 42 LYS HD2 H 2.451 3.455 14.626 1.00 . A A . 42 LYS HD2 1 1 21 25061 1 1 42 LYS HD3 H 1.108 4.448 14.108 1.00 . A A . 42 LYS HD3 1 1 21 25062 1 1 42 LYS HE2 H 1.388 4.722 16.488 1.00 . A A . 42 LYS HE2 1 1 21 25063 1 1 42 LYS HE3 H -0.173 3.969 16.136 1.00 . A A . 42 LYS HE3 1 1 21 25064 1 1 42 LYS HG2 H -0.111 1.927 14.630 1.00 . A A . 42 LYS HG2 1 1 21 25065 1 1 42 LYS HG3 H 1.474 1.548 13.918 1.00 . A A . 42 LYS HG3 1 1 21 25066 1 1 42 LYS HZ1 H 2.253 2.553 17.036 1.00 . A A . 42 LYS HZ1 1 1 21 25067 1 1 42 LYS HZ2 H 0.947 2.912 17.970 1.00 . A A . 42 LYS HZ2 1 1 21 25068 1 1 42 LYS HZ3 H 0.798 1.847 16.726 1.00 . A A . 42 LYS HZ3 1 1 21 25069 1 1 42 LYS N N 0.887 0.642 11.486 1.00 . A A . 42 LYS N 1 1 21 25070 1 1 42 LYS NZ N 1.253 2.695 17.032 1.00 . A A . 42 LYS NZ 1 1 21 25071 1 1 42 LYS O O -1.950 1.620 10.150 1.00 . A A . 42 LYS O 1 1 21 25072 1 1 43 SER C C -1.332 2.479 7.628 1.00 . A A . 43 SER C 1 1 21 25073 1 1 43 SER CA C -0.650 3.502 8.540 1.00 . A A . 43 SER CA 1 1 21 25074 1 1 43 SER CB C 0.497 4.217 7.819 1.00 . A A . 43 SER CB 1 1 21 25075 1 1 43 SER H H 0.841 3.063 10.009 1.00 . A A . 43 SER H 1 1 21 25076 1 1 43 SER HA H -1.385 4.247 8.844 1.00 . A A . 43 SER HA 1 1 21 25077 1 1 43 SER HB2 H 1.211 3.494 7.423 1.00 . A A . 43 SER HB2 1 1 21 25078 1 1 43 SER HB3 H 0.086 4.792 6.989 1.00 . A A . 43 SER HB3 1 1 21 25079 1 1 43 SER HG H 1.740 4.546 9.303 1.00 . A A . 43 SER HG 1 1 21 25080 1 1 43 SER N N -0.126 2.860 9.739 1.00 . A A . 43 SER N 1 1 21 25081 1 1 43 SER O O -2.527 2.575 7.346 1.00 . A A . 43 SER O 1 1 21 25082 1 1 43 SER OG O 1.175 5.078 8.713 1.00 . A A . 43 SER OG 1 1 21 25083 1 1 44 ALA C C -2.220 -0.264 6.758 1.00 . A A . 44 ALA C 1 1 21 25084 1 1 44 ALA CA C -0.876 0.351 6.388 1.00 . A A . 44 ALA CA 1 1 21 25085 1 1 44 ALA CB C 0.241 -0.682 6.528 1.00 . A A . 44 ALA CB 1 1 21 25086 1 1 44 ALA H H 0.397 1.479 7.607 1.00 . A A . 44 ALA H 1 1 21 25087 1 1 44 ALA HA H -0.901 0.672 5.352 1.00 . A A . 44 ALA HA 1 1 21 25088 1 1 44 ALA HB1 H 0.026 -1.527 5.877 1.00 . A A . 44 ALA HB1 1 1 21 25089 1 1 44 ALA HB2 H 1.193 -0.220 6.260 1.00 . A A . 44 ALA HB2 1 1 21 25090 1 1 44 ALA HB3 H 0.322 -1.038 7.554 1.00 . A A . 44 ALA HB3 1 1 21 25091 1 1 44 ALA N N -0.541 1.484 7.226 1.00 . A A . 44 ALA N 1 1 21 25092 1 1 44 ALA O O -3.146 -0.294 5.939 1.00 . A A . 44 ALA O 1 1 21 25093 1 1 45 HIS C C -4.586 -0.580 8.874 1.00 . A A . 45 HIS C 1 1 21 25094 1 1 45 HIS CA C -3.452 -1.521 8.457 1.00 . A A . 45 HIS CA 1 1 21 25095 1 1 45 HIS CB C -3.080 -2.421 9.643 1.00 . A A . 45 HIS CB 1 1 21 25096 1 1 45 HIS CD2 C -1.352 -3.981 8.459 1.00 . A A . 45 HIS CD2 1 1 21 25097 1 1 45 HIS CE1 C -0.062 -4.383 10.183 1.00 . A A . 45 HIS CE1 1 1 21 25098 1 1 45 HIS CG C -1.829 -3.264 9.532 1.00 . A A . 45 HIS CG 1 1 21 25099 1 1 45 HIS H H -1.514 -0.665 8.630 1.00 . A A . 45 HIS H 1 1 21 25100 1 1 45 HIS HA H -3.803 -2.166 7.653 1.00 . A A . 45 HIS HA 1 1 21 25101 1 1 45 HIS HB2 H -2.955 -1.778 10.515 1.00 . A A . 45 HIS HB2 1 1 21 25102 1 1 45 HIS HB3 H -3.919 -3.089 9.843 1.00 . A A . 45 HIS HB3 1 1 21 25103 1 1 45 HIS HD1 H -1.091 -3.132 11.521 1.00 . A A . 45 HIS HD1 1 1 21 25104 1 1 45 HIS HD2 H -1.787 -4.017 7.473 1.00 . A A . 45 HIS HD2 1 1 21 25105 1 1 45 HIS HE1 H 0.708 -4.777 10.822 1.00 . A A . 45 HIS HE1 1 1 21 25106 1 1 45 HIS N N -2.298 -0.777 7.990 1.00 . A A . 45 HIS N 1 1 21 25107 1 1 45 HIS ND1 N -1.006 -3.528 10.598 1.00 . A A . 45 HIS ND1 1 1 21 25108 1 1 45 HIS NE2 N -0.221 -4.697 8.889 1.00 . A A . 45 HIS NE2 1 1 21 25109 1 1 45 HIS O O -5.730 -1.021 8.969 1.00 . A A . 45 HIS O 1 1 21 25110 1 1 46 LYS C C -6.048 2.172 8.488 1.00 . A A . 46 LYS C 1 1 21 25111 1 1 46 LYS CA C -5.271 1.638 9.686 1.00 . A A . 46 LYS CA 1 1 21 25112 1 1 46 LYS CB C -4.541 2.704 10.532 1.00 . A A . 46 LYS CB 1 1 21 25113 1 1 46 LYS CD C -5.933 4.796 10.243 1.00 . A A . 46 LYS CD 1 1 21 25114 1 1 46 LYS CE C -6.296 6.158 10.845 1.00 . A A . 46 LYS CE 1 1 21 25115 1 1 46 LYS CG C -5.377 3.778 11.242 1.00 . A A . 46 LYS CG 1 1 21 25116 1 1 46 LYS H H -3.347 1.035 9.028 1.00 . A A . 46 LYS H 1 1 21 25117 1 1 46 LYS HA H -5.967 1.118 10.347 1.00 . A A . 46 LYS HA 1 1 21 25118 1 1 46 LYS HB2 H -4.030 2.165 11.330 1.00 . A A . 46 LYS HB2 1 1 21 25119 1 1 46 LYS HB3 H -3.789 3.209 9.924 1.00 . A A . 46 LYS HB3 1 1 21 25120 1 1 46 LYS HD2 H -5.218 4.957 9.438 1.00 . A A . 46 LYS HD2 1 1 21 25121 1 1 46 LYS HD3 H -6.840 4.361 9.828 1.00 . A A . 46 LYS HD3 1 1 21 25122 1 1 46 LYS HE2 H -6.980 6.656 10.152 1.00 . A A . 46 LYS HE2 1 1 21 25123 1 1 46 LYS HE3 H -6.816 6.019 11.794 1.00 . A A . 46 LYS HE3 1 1 21 25124 1 1 46 LYS HG2 H -6.193 3.311 11.799 1.00 . A A . 46 LYS HG2 1 1 21 25125 1 1 46 LYS HG3 H -4.718 4.278 11.951 1.00 . A A . 46 LYS HG3 1 1 21 25126 1 1 46 LYS HZ1 H -4.443 6.585 11.642 1.00 . A A . 46 LYS HZ1 1 1 21 25127 1 1 46 LYS HZ2 H -4.664 7.169 10.119 1.00 . A A . 46 LYS HZ2 1 1 21 25128 1 1 46 LYS HZ3 H -5.383 7.914 11.393 1.00 . A A . 46 LYS HZ3 1 1 21 25129 1 1 46 LYS N N -4.296 0.691 9.167 1.00 . A A . 46 LYS N 1 1 21 25130 1 1 46 LYS NZ N -5.106 7.018 11.016 1.00 . A A . 46 LYS NZ 1 1 21 25131 1 1 46 LYS O O -7.176 1.738 8.262 1.00 . A A . 46 LYS O 1 1 21 25132 1 1 47 ASP C C -4.808 4.105 5.652 1.00 . A A . 47 ASP C 1 1 21 25133 1 1 47 ASP CA C -5.971 3.734 6.557 1.00 . A A . 47 ASP CA 1 1 21 25134 1 1 47 ASP CB C -6.791 4.992 6.903 1.00 . A A . 47 ASP CB 1 1 21 25135 1 1 47 ASP CG C -8.194 4.709 7.417 1.00 . A A . 47 ASP CG 1 1 21 25136 1 1 47 ASP H H -4.422 3.204 7.879 1.00 . A A . 47 ASP H 1 1 21 25137 1 1 47 ASP HA H -6.602 3.042 6.005 1.00 . A A . 47 ASP HA 1 1 21 25138 1 1 47 ASP HB2 H -6.248 5.638 7.588 1.00 . A A . 47 ASP HB2 1 1 21 25139 1 1 47 ASP HB3 H -6.931 5.552 5.981 1.00 . A A . 47 ASP HB3 1 1 21 25140 1 1 47 ASP N N -5.415 3.066 7.723 1.00 . A A . 47 ASP N 1 1 21 25141 1 1 47 ASP O O -4.393 5.261 5.585 1.00 . A A . 47 ASP O 1 1 21 25142 1 1 47 ASP OD1 O -8.906 3.940 6.735 1.00 . A A . 47 ASP OD1 1 1 21 25143 1 1 47 ASP OD2 O -8.534 5.293 8.469 1.00 . A A . 47 ASP OD2 1 1 21 25144 1 1 48 ALA C C -3.717 2.205 2.800 1.00 . A A . 48 ALA C 1 1 21 25145 1 1 48 ALA CA C -3.460 3.337 3.779 1.00 . A A . 48 ALA CA 1 1 21 25146 1 1 48 ALA CB C -1.985 3.473 4.160 1.00 . A A . 48 ALA CB 1 1 21 25147 1 1 48 ALA H H -4.640 2.175 5.112 1.00 . A A . 48 ALA H 1 1 21 25148 1 1 48 ALA HA H -3.770 4.269 3.315 1.00 . A A . 48 ALA HA 1 1 21 25149 1 1 48 ALA HB1 H -1.397 3.604 3.251 1.00 . A A . 48 ALA HB1 1 1 21 25150 1 1 48 ALA HB2 H -1.847 4.344 4.801 1.00 . A A . 48 ALA HB2 1 1 21 25151 1 1 48 ALA HB3 H -1.638 2.590 4.688 1.00 . A A . 48 ALA HB3 1 1 21 25152 1 1 48 ALA N N -4.293 3.107 4.940 1.00 . A A . 48 ALA N 1 1 21 25153 1 1 48 ALA O O -4.258 2.419 1.719 1.00 . A A . 48 ALA O 1 1 21 25154 1 1 49 CYS C C -4.916 -0.836 2.709 1.00 . A A . 49 CYS C 1 1 21 25155 1 1 49 CYS CA C -3.569 -0.187 2.369 1.00 . A A . 49 CYS CA 1 1 21 25156 1 1 49 CYS CB C -2.420 -1.144 2.554 1.00 . A A . 49 CYS CB 1 1 21 25157 1 1 49 CYS H H -2.924 0.854 4.092 1.00 . A A . 49 CYS H 1 1 21 25158 1 1 49 CYS HA H -3.586 0.110 1.323 1.00 . A A . 49 CYS HA 1 1 21 25159 1 1 49 CYS HB2 H -2.596 -1.669 3.475 1.00 . A A . 49 CYS HB2 1 1 21 25160 1 1 49 CYS HB3 H -2.392 -1.858 1.733 1.00 . A A . 49 CYS HB3 1 1 21 25161 1 1 49 CYS N N -3.374 0.983 3.199 1.00 . A A . 49 CYS N 1 1 21 25162 1 1 49 CYS O O -5.740 -1.084 1.826 1.00 . A A . 49 CYS O 1 1 21 25163 1 1 49 CYS SG S -0.783 -0.390 2.785 1.00 . A A . 49 CYS SG 1 1 21 25164 1 1 50 LYS C C -7.639 -1.063 4.413 1.00 . A A . 50 LYS C 1 1 21 25165 1 1 50 LYS CA C -6.348 -1.902 4.404 1.00 . A A . 50 LYS CA 1 1 21 25166 1 1 50 LYS CB C -6.063 -2.508 5.788 1.00 . A A . 50 LYS CB 1 1 21 25167 1 1 50 LYS CD C -7.284 -3.676 7.706 1.00 . A A . 50 LYS CD 1 1 21 25168 1 1 50 LYS CE C -8.422 -2.765 8.216 1.00 . A A . 50 LYS CE 1 1 21 25169 1 1 50 LYS CG C -7.049 -3.622 6.187 1.00 . A A . 50 LYS CG 1 1 21 25170 1 1 50 LYS H H -4.491 -0.866 4.697 1.00 . A A . 50 LYS H 1 1 21 25171 1 1 50 LYS HA H -6.481 -2.727 3.701 1.00 . A A . 50 LYS HA 1 1 21 25172 1 1 50 LYS HB2 H -5.064 -2.942 5.790 1.00 . A A . 50 LYS HB2 1 1 21 25173 1 1 50 LYS HB3 H -6.071 -1.696 6.511 1.00 . A A . 50 LYS HB3 1 1 21 25174 1 1 50 LYS HD2 H -7.566 -4.704 7.947 1.00 . A A . 50 LYS HD2 1 1 21 25175 1 1 50 LYS HD3 H -6.351 -3.469 8.233 1.00 . A A . 50 LYS HD3 1 1 21 25176 1 1 50 LYS HE2 H -9.355 -3.049 7.726 1.00 . A A . 50 LYS HE2 1 1 21 25177 1 1 50 LYS HE3 H -8.534 -2.937 9.289 1.00 . A A . 50 LYS HE3 1 1 21 25178 1 1 50 LYS HG2 H -8.007 -3.535 5.674 1.00 . A A . 50 LYS HG2 1 1 21 25179 1 1 50 LYS HG3 H -6.611 -4.572 5.868 1.00 . A A . 50 LYS HG3 1 1 21 25180 1 1 50 LYS HZ1 H -8.181 -1.109 7.008 1.00 . A A . 50 LYS HZ1 1 1 21 25181 1 1 50 LYS HZ2 H -8.906 -0.749 8.424 1.00 . A A . 50 LYS HZ2 1 1 21 25182 1 1 50 LYS HZ3 H -7.294 -1.038 8.389 1.00 . A A . 50 LYS HZ3 1 1 21 25183 1 1 50 LYS N N -5.179 -1.122 3.990 1.00 . A A . 50 LYS N 1 1 21 25184 1 1 50 LYS NZ N -8.189 -1.318 8.001 1.00 . A A . 50 LYS NZ 1 1 21 25185 1 1 50 LYS O O -8.421 -1.150 5.356 1.00 . A A . 50 LYS O 1 1 21 25186 1 1 51 THR C C -9.420 0.850 1.835 1.00 . A A . 51 THR C 1 1 21 25187 1 1 51 THR CA C -8.997 0.662 3.282 1.00 . A A . 51 THR CA 1 1 21 25188 1 1 51 THR CB C -8.636 1.989 3.957 1.00 . A A . 51 THR CB 1 1 21 25189 1 1 51 THR CG2 C -9.673 3.093 3.711 1.00 . A A . 51 THR CG2 1 1 21 25190 1 1 51 THR H H -7.227 -0.341 2.600 1.00 . A A . 51 THR H 1 1 21 25191 1 1 51 THR HA H -9.860 0.242 3.805 1.00 . A A . 51 THR HA 1 1 21 25192 1 1 51 THR HB H -7.664 2.343 3.607 1.00 . A A . 51 THR HB 1 1 21 25193 1 1 51 THR HG1 H -8.747 2.545 5.818 1.00 . A A . 51 THR HG1 1 1 21 25194 1 1 51 THR HG21 H -10.654 2.770 4.059 1.00 . A A . 51 THR HG21 1 1 21 25195 1 1 51 THR HG22 H -9.383 3.993 4.254 1.00 . A A . 51 THR HG22 1 1 21 25196 1 1 51 THR HG23 H -9.726 3.349 2.653 1.00 . A A . 51 THR HG23 1 1 21 25197 1 1 51 THR N N -7.878 -0.273 3.369 1.00 . A A . 51 THR N 1 1 21 25198 1 1 51 THR O O -10.613 0.879 1.547 1.00 . A A . 51 THR O 1 1 21 25199 1 1 51 THR OG1 O -8.575 1.719 5.335 1.00 . A A . 51 THR OG1 1 1 21 25200 1 1 52 CYS C C -9.356 -0.443 -0.875 1.00 . A A . 52 CYS C 1 1 21 25201 1 1 52 CYS CA C -8.778 0.916 -0.492 1.00 . A A . 52 CYS CA 1 1 21 25202 1 1 52 CYS CB C -7.549 1.217 -1.293 1.00 . A A . 52 CYS CB 1 1 21 25203 1 1 52 CYS H H -7.488 1.020 1.186 1.00 . A A . 52 CYS H 1 1 21 25204 1 1 52 CYS HA H -9.541 1.669 -0.700 1.00 . A A . 52 CYS HA 1 1 21 25205 1 1 52 CYS HB2 H -6.648 0.837 -0.809 1.00 . A A . 52 CYS HB2 1 1 21 25206 1 1 52 CYS HB3 H -7.643 0.723 -2.259 1.00 . A A . 52 CYS HB3 1 1 21 25207 1 1 52 CYS N N -8.459 0.949 0.919 1.00 . A A . 52 CYS N 1 1 21 25208 1 1 52 CYS O O -10.495 -0.530 -1.324 1.00 . A A . 52 CYS O 1 1 21 25209 1 1 52 CYS SG S -7.422 3.005 -1.561 1.00 . A A . 52 CYS SG 1 1 21 25210 1 1 53 HIS C C -10.095 -3.551 -0.798 1.00 . A A . 53 HIS C 1 1 21 25211 1 1 53 HIS CA C -8.860 -2.804 -1.338 1.00 . A A . 53 HIS CA 1 1 21 25212 1 1 53 HIS CB C -7.633 -3.734 -1.259 1.00 . A A . 53 HIS CB 1 1 21 25213 1 1 53 HIS CD2 C -5.592 -2.855 -2.582 1.00 . A A . 53 HIS CD2 1 1 21 25214 1 1 53 HIS CE1 C -4.487 -1.968 -0.929 1.00 . A A . 53 HIS CE1 1 1 21 25215 1 1 53 HIS CG C -6.296 -3.070 -1.426 1.00 . A A . 53 HIS CG 1 1 21 25216 1 1 53 HIS H H -7.666 -1.363 -0.310 1.00 . A A . 53 HIS H 1 1 21 25217 1 1 53 HIS HA H -9.028 -2.581 -2.388 1.00 . A A . 53 HIS HA 1 1 21 25218 1 1 53 HIS HB2 H -7.634 -4.229 -0.287 1.00 . A A . 53 HIS HB2 1 1 21 25219 1 1 53 HIS HB3 H -7.724 -4.520 -2.007 1.00 . A A . 53 HIS HB3 1 1 21 25220 1 1 53 HIS HD1 H -5.856 -2.345 0.572 1.00 . A A . 53 HIS HD1 1 1 21 25221 1 1 53 HIS HD2 H -5.841 -3.131 -3.592 1.00 . A A . 53 HIS HD2 1 1 21 25222 1 1 53 HIS HE1 H -3.761 -1.417 -0.372 1.00 . A A . 53 HIS HE1 1 1 21 25223 1 1 53 HIS N N -8.588 -1.521 -0.687 1.00 . A A . 53 HIS N 1 1 21 25224 1 1 53 HIS ND1 N -5.587 -2.508 -0.396 1.00 . A A . 53 HIS ND1 1 1 21 25225 1 1 53 HIS NE2 N -4.439 -2.143 -2.251 1.00 . A A . 53 HIS NE2 1 1 21 25226 1 1 53 HIS O O -10.208 -4.750 -1.052 1.00 . A A . 53 HIS O 1 1 21 25227 1 1 54 LYS C C -12.773 -4.650 0.053 1.00 . A A . 54 LYS C 1 1 21 25228 1 1 54 LYS CA C -12.142 -3.400 0.669 1.00 . A A . 54 LYS CA 1 1 21 25229 1 1 54 LYS CB C -13.188 -2.287 0.807 1.00 . A A . 54 LYS CB 1 1 21 25230 1 1 54 LYS CD C -13.186 -1.437 3.241 1.00 . A A . 54 LYS CD 1 1 21 25231 1 1 54 LYS CE C -14.682 -1.151 3.461 1.00 . A A . 54 LYS CE 1 1 21 25232 1 1 54 LYS CG C -12.706 -1.220 1.799 1.00 . A A . 54 LYS CG 1 1 21 25233 1 1 54 LYS H H -10.837 -1.874 0.011 1.00 . A A . 54 LYS H 1 1 21 25234 1 1 54 LYS HA H -11.814 -3.667 1.674 1.00 . A A . 54 LYS HA 1 1 21 25235 1 1 54 LYS HB2 H -13.336 -1.827 -0.173 1.00 . A A . 54 LYS HB2 1 1 21 25236 1 1 54 LYS HB3 H -14.138 -2.709 1.132 1.00 . A A . 54 LYS HB3 1 1 21 25237 1 1 54 LYS HD2 H -12.975 -2.470 3.526 1.00 . A A . 54 LYS HD2 1 1 21 25238 1 1 54 LYS HD3 H -12.591 -0.792 3.894 1.00 . A A . 54 LYS HD3 1 1 21 25239 1 1 54 LYS HE2 H -15.287 -1.817 2.845 1.00 . A A . 54 LYS HE2 1 1 21 25240 1 1 54 LYS HE3 H -14.918 -1.358 4.507 1.00 . A A . 54 LYS HE3 1 1 21 25241 1 1 54 LYS HG2 H -11.619 -1.254 1.831 1.00 . A A . 54 LYS HG2 1 1 21 25242 1 1 54 LYS HG3 H -12.980 -0.236 1.428 1.00 . A A . 54 LYS HG3 1 1 21 25243 1 1 54 LYS HZ1 H -16.019 0.405 3.366 1.00 . A A . 54 LYS HZ1 1 1 21 25244 1 1 54 LYS HZ2 H -14.487 0.883 3.725 1.00 . A A . 54 LYS HZ2 1 1 21 25245 1 1 54 LYS HZ3 H -14.880 0.452 2.185 1.00 . A A . 54 LYS HZ3 1 1 21 25246 1 1 54 LYS N N -10.981 -2.877 -0.051 1.00 . A A . 54 LYS N 1 1 21 25247 1 1 54 LYS NZ N -15.041 0.252 3.162 1.00 . A A . 54 LYS NZ 1 1 21 25248 1 1 54 LYS O O -12.962 -5.640 0.755 1.00 . A A . 54 LYS O 1 1 21 25249 1 1 55 SER C C -13.016 -5.936 -3.273 1.00 . A A . 55 SER C 1 1 21 25250 1 1 55 SER CA C -13.740 -5.711 -1.945 1.00 . A A . 55 SER CA 1 1 21 25251 1 1 55 SER CB C -15.238 -5.434 -2.145 1.00 . A A . 55 SER CB 1 1 21 25252 1 1 55 SER H H -12.910 -3.757 -1.759 1.00 . A A . 55 SER H 1 1 21 25253 1 1 55 SER HA H -13.639 -6.632 -1.370 1.00 . A A . 55 SER HA 1 1 21 25254 1 1 55 SER HB2 H -15.708 -5.240 -1.180 1.00 . A A . 55 SER HB2 1 1 21 25255 1 1 55 SER HB3 H -15.367 -4.562 -2.790 1.00 . A A . 55 SER HB3 1 1 21 25256 1 1 55 SER HG H -15.393 -6.757 -3.552 1.00 . A A . 55 SER HG 1 1 21 25257 1 1 55 SER N N -13.138 -4.589 -1.231 1.00 . A A . 55 SER N 1 1 21 25258 1 1 55 SER O O -13.638 -6.356 -4.246 1.00 . A A . 55 SER O 1 1 21 25259 1 1 55 SER OG O -15.876 -6.545 -2.740 1.00 . A A . 55 SER OG 1 1 21 25260 1 1 56 ASN C C -10.238 -7.099 -4.564 1.00 . A A . 56 ASN C 1 1 21 25261 1 1 56 ASN CA C -10.916 -5.736 -4.532 1.00 . A A . 56 ASN CA 1 1 21 25262 1 1 56 ASN CB C -9.850 -4.633 -4.594 1.00 . A A . 56 ASN CB 1 1 21 25263 1 1 56 ASN CG C -10.401 -3.208 -4.572 1.00 . A A . 56 ASN CG 1 1 21 25264 1 1 56 ASN H H -11.264 -5.328 -2.461 1.00 . A A . 56 ASN H 1 1 21 25265 1 1 56 ASN HA H -11.552 -5.635 -5.414 1.00 . A A . 56 ASN HA 1 1 21 25266 1 1 56 ASN HB2 H -9.164 -4.744 -3.757 1.00 . A A . 56 ASN HB2 1 1 21 25267 1 1 56 ASN HB3 H -9.284 -4.771 -5.517 1.00 . A A . 56 ASN HB3 1 1 21 25268 1 1 56 ASN HD21 H -8.787 -2.513 -5.604 1.00 . A A . 56 ASN HD21 1 1 21 25269 1 1 56 ASN HD22 H -9.981 -1.317 -5.120 1.00 . A A . 56 ASN HD22 1 1 21 25270 1 1 56 ASN N N -11.713 -5.645 -3.314 1.00 . A A . 56 ASN N 1 1 21 25271 1 1 56 ASN ND2 N -9.652 -2.269 -5.142 1.00 . A A . 56 ASN ND2 1 1 21 25272 1 1 56 ASN O O -10.288 -7.801 -5.570 1.00 . A A . 56 ASN O 1 1 21 25273 1 1 56 ASN OD1 O -11.451 -2.931 -4.000 1.00 . A A . 56 ASN OD1 1 1 21 25274 1 1 57 ASN C C -9.449 -9.452 -2.065 1.00 . A A . 57 ASN C 1 1 21 25275 1 1 57 ASN CA C -8.872 -8.714 -3.276 1.00 . A A . 57 ASN CA 1 1 21 25276 1 1 57 ASN CB C -7.372 -8.428 -3.117 1.00 . A A . 57 ASN CB 1 1 21 25277 1 1 57 ASN CG C -6.530 -9.702 -3.142 1.00 . A A . 57 ASN CG 1 1 21 25278 1 1 57 ASN H H -9.656 -6.846 -2.648 1.00 . A A . 57 ASN H 1 1 21 25279 1 1 57 ASN HA H -9.019 -9.338 -4.160 1.00 . A A . 57 ASN HA 1 1 21 25280 1 1 57 ASN HB2 H -7.042 -7.794 -3.941 1.00 . A A . 57 ASN HB2 1 1 21 25281 1 1 57 ASN HB3 H -7.205 -7.899 -2.178 1.00 . A A . 57 ASN HB3 1 1 21 25282 1 1 57 ASN HD21 H -4.894 -8.744 -2.383 1.00 . A A . 57 ASN HD21 1 1 21 25283 1 1 57 ASN HD22 H -4.699 -10.445 -2.736 1.00 . A A . 57 ASN HD22 1 1 21 25284 1 1 57 ASN N N -9.585 -7.453 -3.453 1.00 . A A . 57 ASN N 1 1 21 25285 1 1 57 ASN ND2 N -5.281 -9.622 -2.696 1.00 . A A . 57 ASN ND2 1 1 21 25286 1 1 57 ASN O O -10.046 -8.828 -1.194 1.00 . A A . 57 ASN O 1 1 21 25287 1 1 57 ASN OD1 O -7.001 -10.759 -3.554 1.00 . A A . 57 ASN OD1 1 1 21 25288 1 1 58 GLY C C -9.239 -11.527 0.371 1.00 . A A . 58 GLY C 1 1 21 25289 1 1 58 GLY CA C -9.883 -11.656 -1.016 1.00 . A A . 58 GLY CA 1 1 21 25290 1 1 58 GLY H H -8.726 -11.195 -2.756 1.00 . A A . 58 GLY H 1 1 21 25291 1 1 58 GLY HA2 H -10.945 -11.425 -0.931 1.00 . A A . 58 GLY HA2 1 1 21 25292 1 1 58 GLY HA3 H -9.793 -12.689 -1.355 1.00 . A A . 58 GLY HA3 1 1 21 25293 1 1 58 GLY N N -9.292 -10.777 -2.023 1.00 . A A . 58 GLY N 1 1 21 25294 1 1 58 GLY O O -9.928 -11.149 1.323 1.00 . A A . 58 GLY O 1 1 21 25295 1 1 59 PRO C C -7.093 -10.402 2.315 1.00 . A A . 59 PRO C 1 1 21 25296 1 1 59 PRO CA C -7.213 -11.838 1.783 1.00 . A A . 59 PRO CA 1 1 21 25297 1 1 59 PRO CB C -5.863 -12.510 1.505 1.00 . A A . 59 PRO CB 1 1 21 25298 1 1 59 PRO CD C -7.122 -12.515 -0.502 1.00 . A A . 59 PRO CD 1 1 21 25299 1 1 59 PRO CG C -5.689 -12.385 -0.005 1.00 . A A . 59 PRO CG 1 1 21 25300 1 1 59 PRO HA H -7.734 -12.436 2.532 1.00 . A A . 59 PRO HA 1 1 21 25301 1 1 59 PRO HB2 H -5.041 -12.045 2.039 1.00 . A A . 59 PRO HB2 1 1 21 25302 1 1 59 PRO HB3 H -5.923 -13.566 1.772 1.00 . A A . 59 PRO HB3 1 1 21 25303 1 1 59 PRO HD2 H -7.198 -12.050 -1.478 1.00 . A A . 59 PRO HD2 1 1 21 25304 1 1 59 PRO HD3 H -7.389 -13.570 -0.578 1.00 . A A . 59 PRO HD3 1 1 21 25305 1 1 59 PRO HG2 H -5.314 -11.392 -0.248 1.00 . A A . 59 PRO HG2 1 1 21 25306 1 1 59 PRO HG3 H -5.029 -13.152 -0.415 1.00 . A A . 59 PRO HG3 1 1 21 25307 1 1 59 PRO N N -7.947 -11.888 0.520 1.00 . A A . 59 PRO N 1 1 21 25308 1 1 59 PRO O O -6.074 -9.729 2.174 1.00 . A A . 59 PRO O 1 1 21 25309 1 1 60 THR C C -7.880 -8.367 4.768 1.00 . A A . 60 THR C 1 1 21 25310 1 1 60 THR CA C -8.449 -8.590 3.372 1.00 . A A . 60 THR CA 1 1 21 25311 1 1 60 THR CB C -9.976 -8.389 3.373 1.00 . A A . 60 THR CB 1 1 21 25312 1 1 60 THR CG2 C -10.468 -7.798 2.053 1.00 . A A . 60 THR CG2 1 1 21 25313 1 1 60 THR H H -8.970 -10.576 2.989 1.00 . A A . 60 THR H 1 1 21 25314 1 1 60 THR HA H -7.982 -7.875 2.692 1.00 . A A . 60 THR HA 1 1 21 25315 1 1 60 THR HB H -10.256 -7.701 4.174 1.00 . A A . 60 THR HB 1 1 21 25316 1 1 60 THR HG1 H -10.679 -10.093 2.720 1.00 . A A . 60 THR HG1 1 1 21 25317 1 1 60 THR HG21 H -10.191 -8.457 1.233 1.00 . A A . 60 THR HG21 1 1 21 25318 1 1 60 THR HG22 H -11.553 -7.692 2.075 1.00 . A A . 60 THR HG22 1 1 21 25319 1 1 60 THR HG23 H -10.022 -6.816 1.887 1.00 . A A . 60 THR HG23 1 1 21 25320 1 1 60 THR N N -8.179 -9.948 2.937 1.00 . A A . 60 THR N 1 1 21 25321 1 1 60 THR O O -7.362 -7.292 5.062 1.00 . A A . 60 THR O 1 1 21 25322 1 1 60 THR OG1 O -10.628 -9.634 3.573 1.00 . A A . 60 THR OG1 1 1 21 25323 1 1 61 LYS C C -5.905 -9.428 6.824 1.00 . A A . 61 LYS C 1 1 21 25324 1 1 61 LYS CA C -7.425 -9.356 6.959 1.00 . A A . 61 LYS CA 1 1 21 25325 1 1 61 LYS CB C -8.020 -10.464 7.842 1.00 . A A . 61 LYS CB 1 1 21 25326 1 1 61 LYS CD C -10.058 -11.165 9.156 1.00 . A A . 61 LYS CD 1 1 21 25327 1 1 61 LYS CE C -11.557 -10.919 9.383 1.00 . A A . 61 LYS CE 1 1 21 25328 1 1 61 LYS CG C -9.520 -10.222 8.071 1.00 . A A . 61 LYS CG 1 1 21 25329 1 1 61 LYS H H -8.457 -10.222 5.302 1.00 . A A . 61 LYS H 1 1 21 25330 1 1 61 LYS HA H -7.660 -8.397 7.426 1.00 . A A . 61 LYS HA 1 1 21 25331 1 1 61 LYS HB2 H -7.875 -11.442 7.382 1.00 . A A . 61 LYS HB2 1 1 21 25332 1 1 61 LYS HB3 H -7.503 -10.445 8.802 1.00 . A A . 61 LYS HB3 1 1 21 25333 1 1 61 LYS HD2 H -9.886 -12.198 8.842 1.00 . A A . 61 LYS HD2 1 1 21 25334 1 1 61 LYS HD3 H -9.503 -10.980 10.079 1.00 . A A . 61 LYS HD3 1 1 21 25335 1 1 61 LYS HE2 H -11.718 -9.867 9.627 1.00 . A A . 61 LYS HE2 1 1 21 25336 1 1 61 LYS HE3 H -12.101 -11.146 8.462 1.00 . A A . 61 LYS HE3 1 1 21 25337 1 1 61 LYS HG2 H -9.670 -9.189 8.387 1.00 . A A . 61 LYS HG2 1 1 21 25338 1 1 61 LYS HG3 H -10.060 -10.382 7.135 1.00 . A A . 61 LYS HG3 1 1 21 25339 1 1 61 LYS HZ1 H -13.090 -11.563 10.590 1.00 . A A . 61 LYS HZ1 1 1 21 25340 1 1 61 LYS HZ2 H -11.977 -12.730 10.277 1.00 . A A . 61 LYS HZ2 1 1 21 25341 1 1 61 LYS HZ3 H -11.635 -11.528 11.350 1.00 . A A . 61 LYS HZ3 1 1 21 25342 1 1 61 LYS N N -8.009 -9.381 5.631 1.00 . A A . 61 LYS N 1 1 21 25343 1 1 61 LYS NZ N -12.101 -11.748 10.481 1.00 . A A . 61 LYS NZ 1 1 21 25344 1 1 61 LYS O O -5.262 -8.384 6.848 1.00 . A A . 61 LYS O 1 1 21 25345 1 1 62 CYS C C -3.826 -11.576 4.995 1.00 . A A . 62 CYS C 1 1 21 25346 1 1 62 CYS CA C -3.928 -10.812 6.309 1.00 . A A . 62 CYS CA 1 1 21 25347 1 1 62 CYS CB C -3.115 -11.497 7.387 1.00 . A A . 62 CYS CB 1 1 21 25348 1 1 62 CYS H H -5.944 -11.407 6.427 1.00 . A A . 62 CYS H 1 1 21 25349 1 1 62 CYS HA H -3.471 -9.856 6.122 1.00 . A A . 62 CYS HA 1 1 21 25350 1 1 62 CYS HB2 H -3.197 -12.571 7.237 1.00 . A A . 62 CYS HB2 1 1 21 25351 1 1 62 CYS HB3 H -2.073 -11.210 7.241 1.00 . A A . 62 CYS HB3 1 1 21 25352 1 1 62 CYS N N -5.339 -10.626 6.635 1.00 . A A . 62 CYS N 1 1 21 25353 1 1 62 CYS O O -4.838 -12.061 4.495 1.00 . A A . 62 CYS O 1 1 21 25354 1 1 62 CYS SG S -3.569 -11.190 9.122 1.00 . A A . 62 CYS SG 1 1 21 25355 1 1 63 GLY C C -2.278 -11.354 2.015 1.00 . A A . 63 GLY C 1 1 21 25356 1 1 63 GLY CA C -2.325 -12.342 3.182 1.00 . A A . 63 GLY CA 1 1 21 25357 1 1 63 GLY H H -1.833 -11.236 4.919 1.00 . A A . 63 GLY H 1 1 21 25358 1 1 63 GLY HA2 H -1.353 -12.829 3.264 1.00 . A A . 63 GLY HA2 1 1 21 25359 1 1 63 GLY HA3 H -3.071 -13.110 2.974 1.00 . A A . 63 GLY HA3 1 1 21 25360 1 1 63 GLY N N -2.611 -11.664 4.441 1.00 . A A . 63 GLY N 1 1 21 25361 1 1 63 GLY O O -1.541 -11.558 1.056 1.00 . A A . 63 GLY O 1 1 21 25362 1 1 64 GLY C C -1.913 -8.732 0.482 1.00 . A A . 64 GLY C 1 1 21 25363 1 1 64 GLY CA C -3.221 -9.276 1.057 1.00 . A A . 64 GLY CA 1 1 21 25364 1 1 64 GLY H H -3.696 -10.210 2.881 1.00 . A A . 64 GLY H 1 1 21 25365 1 1 64 GLY HA2 H -3.824 -9.693 0.253 1.00 . A A . 64 GLY HA2 1 1 21 25366 1 1 64 GLY HA3 H -3.762 -8.441 1.504 1.00 . A A . 64 GLY HA3 1 1 21 25367 1 1 64 GLY N N -3.053 -10.271 2.105 1.00 . A A . 64 GLY N 1 1 21 25368 1 1 64 GLY O O -1.839 -8.447 -0.711 1.00 . A A . 64 GLY O 1 1 21 25369 1 1 65 CYS C C 1.510 -8.397 1.449 1.00 . A A . 65 CYS C 1 1 21 25370 1 1 65 CYS CA C 0.225 -7.658 1.083 1.00 . A A . 65 CYS CA 1 1 21 25371 1 1 65 CYS CB C 0.067 -6.380 1.876 1.00 . A A . 65 CYS CB 1 1 21 25372 1 1 65 CYS H H -1.053 -8.844 2.291 1.00 . A A . 65 CYS H 1 1 21 25373 1 1 65 CYS HA H 0.272 -7.401 0.023 1.00 . A A . 65 CYS HA 1 1 21 25374 1 1 65 CYS HB2 H 0.233 -6.614 2.924 1.00 . A A . 65 CYS HB2 1 1 21 25375 1 1 65 CYS HB3 H 0.804 -5.643 1.563 1.00 . A A . 65 CYS HB3 1 1 21 25376 1 1 65 CYS N N -0.921 -8.519 1.351 1.00 . A A . 65 CYS N 1 1 21 25377 1 1 65 CYS O O 2.399 -8.554 0.617 1.00 . A A . 65 CYS O 1 1 21 25378 1 1 65 CYS SG S -1.613 -5.708 1.646 1.00 . A A . 65 CYS SG 1 1 21 25379 1 1 66 HIS C C 2.772 -10.967 2.361 1.00 . A A . 66 HIS C 1 1 21 25380 1 1 66 HIS CA C 2.732 -9.666 3.147 1.00 . A A . 66 HIS CA 1 1 21 25381 1 1 66 HIS CB C 2.592 -10.022 4.632 1.00 . A A . 66 HIS CB 1 1 21 25382 1 1 66 HIS CD2 C 1.564 -8.290 6.195 1.00 . A A . 66 HIS CD2 1 1 21 25383 1 1 66 HIS CE1 C 3.326 -7.061 6.605 1.00 . A A . 66 HIS CE1 1 1 21 25384 1 1 66 HIS CG C 2.630 -8.835 5.540 1.00 . A A . 66 HIS CG 1 1 21 25385 1 1 66 HIS H H 0.854 -8.686 3.346 1.00 . A A . 66 HIS H 1 1 21 25386 1 1 66 HIS HA H 3.656 -9.105 3.000 1.00 . A A . 66 HIS HA 1 1 21 25387 1 1 66 HIS HB2 H 1.666 -10.577 4.783 1.00 . A A . 66 HIS HB2 1 1 21 25388 1 1 66 HIS HB3 H 3.414 -10.686 4.903 1.00 . A A . 66 HIS HB3 1 1 21 25389 1 1 66 HIS HD1 H 4.669 -8.187 5.419 1.00 . A A . 66 HIS HD1 1 1 21 25390 1 1 66 HIS HD2 H 0.536 -8.600 6.216 1.00 . A A . 66 HIS HD2 1 1 21 25391 1 1 66 HIS HE1 H 3.941 -6.260 6.982 1.00 . A A . 66 HIS HE1 1 1 21 25392 1 1 66 HIS N N 1.605 -8.865 2.699 1.00 . A A . 66 HIS N 1 1 21 25393 1 1 66 HIS ND1 N 3.736 -8.067 5.810 1.00 . A A . 66 HIS ND1 1 1 21 25394 1 1 66 HIS NE2 N 2.013 -7.161 6.859 1.00 . A A . 66 HIS NE2 1 1 21 25395 1 1 66 HIS O O 1.876 -11.794 2.525 1.00 . A A . 66 HIS O 1 1 21 25396 1 1 67 ILE C C 4.568 -13.419 2.095 1.00 . A A . 67 ILE C 1 1 21 25397 1 1 67 ILE CA C 4.057 -12.492 0.987 1.00 . A A . 67 ILE CA 1 1 21 25398 1 1 67 ILE CB C 5.011 -12.368 -0.214 1.00 . A A . 67 ILE CB 1 1 21 25399 1 1 67 ILE CD1 C 3.119 -11.545 -1.784 1.00 . A A . 67 ILE CD1 1 1 21 25400 1 1 67 ILE CG1 C 4.527 -11.307 -1.225 1.00 . A A . 67 ILE CG1 1 1 21 25401 1 1 67 ILE CG2 C 5.189 -13.732 -0.898 1.00 . A A . 67 ILE CG2 1 1 21 25402 1 1 67 ILE H H 4.541 -10.468 1.481 1.00 . A A . 67 ILE H 1 1 21 25403 1 1 67 ILE HA H 3.113 -12.898 0.618 1.00 . A A . 67 ILE HA 1 1 21 25404 1 1 67 ILE HB H 5.988 -12.045 0.146 1.00 . A A . 67 ILE HB 1 1 21 25405 1 1 67 ILE HD11 H 2.374 -11.472 -0.992 1.00 . A A . 67 ILE HD11 1 1 21 25406 1 1 67 ILE HD12 H 2.900 -10.778 -2.527 1.00 . A A . 67 ILE HD12 1 1 21 25407 1 1 67 ILE HD13 H 3.052 -12.520 -2.263 1.00 . A A . 67 ILE HD13 1 1 21 25408 1 1 67 ILE HG12 H 4.533 -10.322 -0.752 1.00 . A A . 67 ILE HG12 1 1 21 25409 1 1 67 ILE HG13 H 5.228 -11.277 -2.059 1.00 . A A . 67 ILE HG13 1 1 21 25410 1 1 67 ILE HG21 H 5.803 -13.622 -1.791 1.00 . A A . 67 ILE HG21 1 1 21 25411 1 1 67 ILE HG22 H 5.688 -14.427 -0.223 1.00 . A A . 67 ILE HG22 1 1 21 25412 1 1 67 ILE HG23 H 4.223 -14.154 -1.177 1.00 . A A . 67 ILE HG23 1 1 21 25413 1 1 67 ILE N N 3.830 -11.190 1.585 1.00 . A A . 67 ILE N 1 1 21 25414 1 1 67 ILE O O 5.766 -13.461 2.372 1.00 . A A . 67 ILE O 1 1 21 25415 1 1 68 LYS C C 2.758 -16.084 3.732 1.00 . A A . 68 LYS C 1 1 21 25416 1 1 68 LYS CA C 3.907 -15.085 3.805 1.00 . A A . 68 LYS CA 1 1 21 25417 1 1 68 LYS CB C 3.955 -14.371 5.169 1.00 . A A . 68 LYS CB 1 1 21 25418 1 1 68 LYS CD C 3.142 -15.497 7.346 1.00 . A A . 68 LYS CD 1 1 21 25419 1 1 68 LYS CE C 1.974 -16.287 6.734 1.00 . A A . 68 LYS CE 1 1 21 25420 1 1 68 LYS CG C 4.293 -15.309 6.342 1.00 . A A . 68 LYS CG 1 1 21 25421 1 1 68 LYS H H 2.660 -14.027 2.529 1.00 . A A . 68 LYS H 1 1 21 25422 1 1 68 LYS HA H 4.848 -15.600 3.611 1.00 . A A . 68 LYS HA 1 1 21 25423 1 1 68 LYS HB2 H 4.737 -13.613 5.112 1.00 . A A . 68 LYS HB2 1 1 21 25424 1 1 68 LYS HB3 H 3.007 -13.861 5.347 1.00 . A A . 68 LYS HB3 1 1 21 25425 1 1 68 LYS HD2 H 3.546 -16.047 8.199 1.00 . A A . 68 LYS HD2 1 1 21 25426 1 1 68 LYS HD3 H 2.805 -14.516 7.685 1.00 . A A . 68 LYS HD3 1 1 21 25427 1 1 68 LYS HE2 H 1.509 -15.699 5.942 1.00 . A A . 68 LYS HE2 1 1 21 25428 1 1 68 LYS HE3 H 2.352 -17.221 6.316 1.00 . A A . 68 LYS HE3 1 1 21 25429 1 1 68 LYS HG2 H 4.616 -16.279 5.957 1.00 . A A . 68 LYS HG2 1 1 21 25430 1 1 68 LYS HG3 H 5.139 -14.870 6.876 1.00 . A A . 68 LYS HG3 1 1 21 25431 1 1 68 LYS HZ1 H 1.298 -17.202 8.445 1.00 . A A . 68 LYS HZ1 1 1 21 25432 1 1 68 LYS HZ2 H 0.507 -15.792 8.086 1.00 . A A . 68 LYS HZ2 1 1 21 25433 1 1 68 LYS HZ3 H 0.205 -17.154 7.218 1.00 . A A . 68 LYS HZ3 1 1 21 25434 1 1 68 LYS N N 3.647 -14.113 2.763 1.00 . A A . 68 LYS N 1 1 21 25435 1 1 68 LYS NZ N 0.920 -16.630 7.705 1.00 . A A . 68 LYS NZ 1 1 21 25436 1 1 68 LYS O O 1.634 -15.616 3.443 1.00 . A A . 68 LYS O 1 1 21 25437 1 1 68 LYS OXT O 3.004 -17.276 4.015 1.00 . A A . 68 LYS OXT 1 1 21 25438 2 2 1 HEC C1A C 7.794 7.578 -3.470 1.00 . B A . 69 HEC C1A 1 1 21 25439 2 2 1 HEC C1B C 5.427 8.708 -6.842 1.00 . B A . 69 HEC C1B 1 1 21 25440 2 2 1 HEC C1C C 2.257 6.219 -5.465 1.00 . B A . 69 HEC C1C 1 1 21 25441 2 2 1 HEC C1D C 4.472 5.455 -1.879 1.00 . B A . 69 HEC C1D 1 1 21 25442 2 2 1 HEC C2A C 8.967 8.327 -3.857 1.00 . B A . 69 HEC C2A 1 1 21 25443 2 2 1 HEC C2B C 4.750 9.215 -8.012 1.00 . B A . 69 HEC C2B 1 1 21 25444 2 2 1 HEC C2C C 1.029 5.587 -5.049 1.00 . B A . 69 HEC C2C 1 1 21 25445 2 2 1 HEC C2D C 5.099 5.059 -0.642 1.00 . B A . 69 HEC C2D 1 1 21 25446 2 2 1 HEC C3A C 8.649 9.017 -4.996 1.00 . B A . 69 HEC C3A 1 1 21 25447 2 2 1 HEC C3B C 3.545 8.559 -8.097 1.00 . B A . 69 HEC C3B 1 1 21 25448 2 2 1 HEC C3C C 1.221 5.136 -3.762 1.00 . B A . 69 HEC C3C 1 1 21 25449 2 2 1 HEC C3D C 6.411 5.476 -0.682 1.00 . B A . 69 HEC C3D 1 1 21 25450 2 2 1 HEC C4A C 7.297 8.652 -5.339 1.00 . B A . 69 HEC C4A 1 1 21 25451 2 2 1 HEC C4B C 3.498 7.621 -6.994 1.00 . B A . 69 HEC C4B 1 1 21 25452 2 2 1 HEC C4C C 2.594 5.453 -3.410 1.00 . B A . 69 HEC C4C 1 1 21 25453 2 2 1 HEC C4D C 6.562 6.209 -1.921 1.00 . B A . 69 HEC C4D 1 1 21 25454 2 2 1 HEC CAA C 10.291 8.357 -3.133 1.00 . B A . 69 HEC CAA 1 1 21 25455 2 2 1 HEC CAB C 2.345 9.039 -8.893 1.00 . B A . 69 HEC CAB 1 1 21 25456 2 2 1 HEC CAC C 0.153 4.573 -2.830 1.00 . B A . 69 HEC CAC 1 1 21 25457 2 2 1 HEC CAD C 7.468 5.253 0.390 1.00 . B A . 69 HEC CAD 1 1 21 25458 2 2 1 HEC CBA C 11.147 7.107 -3.383 1.00 . B A . 69 HEC CBA 1 1 21 25459 2 2 1 HEC CBB C 2.590 9.293 -10.387 1.00 . B A . 69 HEC CBB 1 1 21 25460 2 2 1 HEC CBC C -0.366 3.183 -3.217 1.00 . B A . 69 HEC CBC 1 1 21 25461 2 2 1 HEC CBD C 7.730 3.793 0.765 1.00 . B A . 69 HEC CBD 1 1 21 25462 2 2 1 HEC CGA C 11.715 6.567 -2.069 1.00 . B A . 69 HEC CGA 1 1 21 25463 2 2 1 HEC CGD C 8.948 3.630 1.670 1.00 . B A . 69 HEC CGD 1 1 21 25464 2 2 1 HEC CHA C 7.723 6.829 -2.321 1.00 . B A . 69 HEC CHA 1 1 21 25465 2 2 1 HEC CHB C 6.662 9.154 -6.438 1.00 . B A . 69 HEC CHB 1 1 21 25466 2 2 1 HEC CHC C 2.385 6.867 -6.672 1.00 . B A . 69 HEC CHC 1 1 21 25467 2 2 1 HEC CHD C 3.173 5.125 -2.199 1.00 . B A . 69 HEC CHD 1 1 21 25468 2 2 1 HEC CMA C 9.557 9.954 -5.761 1.00 . B A . 69 HEC CMA 1 1 21 25469 2 2 1 HEC CMB C 5.213 10.341 -8.915 1.00 . B A . 69 HEC CMB 1 1 21 25470 2 2 1 HEC CMC C -0.259 5.604 -5.844 1.00 . B A . 69 HEC CMC 1 1 21 25471 2 2 1 HEC CMD C 4.414 4.315 0.476 1.00 . B A . 69 HEC CMD 1 1 21 25472 2 2 1 HEC FE FE 5.001 6.931 -4.471 1.00 . B A . 69 HEC FE 1 1 21 25473 2 2 1 HEC HAA1 H 10.868 9.245 -3.383 1.00 . B A . 69 HEC HAA1 1 1 21 25474 2 2 1 HEC HAA2 H 10.069 8.426 -2.074 1.00 . B A . 69 HEC HAA2 1 1 21 25475 2 2 1 HEC HAB H 1.565 8.287 -8.861 1.00 . B A . 69 HEC HAB 1 1 21 25476 2 2 1 HEC HAC H 0.548 4.485 -1.823 1.00 . B A . 69 HEC HAC 1 1 21 25477 2 2 1 HEC HAD1 H 8.433 5.636 0.067 1.00 . B A . 69 HEC HAD1 1 1 21 25478 2 2 1 HEC HAD2 H 7.183 5.754 1.309 1.00 . B A . 69 HEC HAD2 1 1 21 25479 2 2 1 HEC HBA1 H 10.532 6.327 -3.837 1.00 . B A . 69 HEC HBA1 1 1 21 25480 2 2 1 HEC HBA2 H 11.950 7.354 -4.081 1.00 . B A . 69 HEC HBA2 1 1 21 25481 2 2 1 HEC HBB1 H 1.633 9.333 -10.909 1.00 . B A . 69 HEC HBB1 1 1 21 25482 2 2 1 HEC HBB2 H 3.104 10.234 -10.562 1.00 . B A . 69 HEC HBB2 1 1 21 25483 2 2 1 HEC HBB3 H 3.176 8.476 -10.809 1.00 . B A . 69 HEC HBB3 1 1 21 25484 2 2 1 HEC HBC1 H -0.928 3.214 -4.145 1.00 . B A . 69 HEC HBC1 1 1 21 25485 2 2 1 HEC HBC2 H 0.465 2.485 -3.328 1.00 . B A . 69 HEC HBC2 1 1 21 25486 2 2 1 HEC HBC3 H -1.029 2.817 -2.435 1.00 . B A . 69 HEC HBC3 1 1 21 25487 2 2 1 HEC HBD1 H 6.887 3.448 1.349 1.00 . B A . 69 HEC HBD1 1 1 21 25488 2 2 1 HEC HBD2 H 7.848 3.197 -0.138 1.00 . B A . 69 HEC HBD2 1 1 21 25489 2 2 1 HEC HHA H 8.618 6.736 -1.731 1.00 . B A . 69 HEC HHA 1 1 21 25490 2 2 1 HEC HHB H 7.172 9.903 -7.002 1.00 . B A . 69 HEC HHB 1 1 21 25491 2 2 1 HEC HHC H 1.539 6.861 -7.328 1.00 . B A . 69 HEC HHC 1 1 21 25492 2 2 1 HEC HHD H 2.603 4.548 -1.494 1.00 . B A . 69 HEC HHD 1 1 21 25493 2 2 1 HEC HMA1 H 9.426 9.815 -6.832 1.00 . B A . 69 HEC HMA1 1 1 21 25494 2 2 1 HEC HMA2 H 9.322 10.982 -5.484 1.00 . B A . 69 HEC HMA2 1 1 21 25495 2 2 1 HEC HMA3 H 10.600 9.747 -5.527 1.00 . B A . 69 HEC HMA3 1 1 21 25496 2 2 1 HEC HMB1 H 6.080 10.864 -8.525 1.00 . B A . 69 HEC HMB1 1 1 21 25497 2 2 1 HEC HMB2 H 5.452 9.939 -9.899 1.00 . B A . 69 HEC HMB2 1 1 21 25498 2 2 1 HEC HMB3 H 4.415 11.077 -8.996 1.00 . B A . 69 HEC HMB3 1 1 21 25499 2 2 1 HEC HMC1 H -1.050 5.060 -5.337 1.00 . B A . 69 HEC HMC1 1 1 21 25500 2 2 1 HEC HMC2 H -0.582 6.638 -5.964 1.00 . B A . 69 HEC HMC2 1 1 21 25501 2 2 1 HEC HMC3 H -0.090 5.158 -6.823 1.00 . B A . 69 HEC HMC3 1 1 21 25502 2 2 1 HEC HMD1 H 4.293 3.272 0.193 1.00 . B A . 69 HEC HMD1 1 1 21 25503 2 2 1 HEC HMD2 H 4.997 4.382 1.388 1.00 . B A . 69 HEC HMD2 1 1 21 25504 2 2 1 HEC HMD3 H 3.438 4.761 0.658 1.00 . B A . 69 HEC HMD3 1 1 21 25505 2 2 1 HEC NA N 6.826 7.784 -4.411 1.00 . B A . 69 HEC NA 1 1 21 25506 2 2 1 HEC NB N 4.635 7.772 -6.258 1.00 . B A . 69 HEC NB 1 1 21 25507 2 2 1 HEC NC N 3.157 6.126 -4.457 1.00 . B A . 69 HEC NC 1 1 21 25508 2 2 1 HEC ND N 5.376 6.161 -2.599 1.00 . B A . 69 HEC ND 1 1 21 25509 2 2 1 HEC O1A O 10.926 5.916 -1.350 1.00 . B A . 69 HEC O1A 1 1 21 25510 2 2 1 HEC O1D O 9.723 2.674 1.473 1.00 . B A . 69 HEC O1D 1 1 21 25511 2 2 1 HEC O2A O 12.878 6.900 -1.750 1.00 . B A . 69 HEC O2A 1 1 21 25512 2 2 1 HEC O2D O 9.103 4.483 2.573 1.00 . B A . 69 HEC O2D 1 1 21 25513 3 2 1 HEC C1A C -2.627 -4.033 -4.855 1.00 . C A . 70 HEC C1A 1 1 21 25514 3 2 1 HEC C1B C -0.951 -2.144 -1.406 1.00 . C A . 70 HEC C1B 1 1 21 25515 3 2 1 HEC C1C C -3.530 1.206 -2.019 1.00 . C A . 70 HEC C1C 1 1 21 25516 3 2 1 HEC C1D C -5.304 -0.762 -5.355 1.00 . C A . 70 HEC C1D 1 1 21 25517 3 2 1 HEC C2A C -1.856 -5.250 -4.761 1.00 . C A . 70 HEC C2A 1 1 21 25518 3 2 1 HEC C2B C -0.291 -1.627 -0.233 1.00 . C A . 70 HEC C2B 1 1 21 25519 3 2 1 HEC C2C C -4.359 2.386 -2.077 1.00 . C A . 70 HEC C2C 1 1 21 25520 3 2 1 HEC C2D C -5.939 -1.231 -6.560 1.00 . C A . 70 HEC C2D 1 1 21 25521 3 2 1 HEC C3A C -1.088 -5.163 -3.624 1.00 . C A . 70 HEC C3A 1 1 21 25522 3 2 1 HEC C3B C -0.813 -0.377 0.013 1.00 . C A . 70 HEC C3B 1 1 21 25523 3 2 1 HEC C3C C -5.315 2.160 -3.038 1.00 . C A . 70 HEC C3C 1 1 21 25524 3 2 1 HEC C3D C -5.286 -2.378 -6.933 1.00 . C A . 70 HEC C3D 1 1 21 25525 3 2 1 HEC C4A C -1.366 -3.882 -3.016 1.00 . C A . 70 HEC C4A 1 1 21 25526 3 2 1 HEC C4B C -1.755 -0.105 -1.050 1.00 . C A . 70 HEC C4B 1 1 21 25527 3 2 1 HEC C4C C -4.965 0.913 -3.678 1.00 . C A . 70 HEC C4C 1 1 21 25528 3 2 1 HEC C4D C -4.307 -2.665 -5.907 1.00 . C A . 70 HEC C4D 1 1 21 25529 3 2 1 HEC CAA C -1.871 -6.395 -5.747 1.00 . C A . 70 HEC CAA 1 1 21 25530 3 2 1 HEC CAB C -0.562 0.501 1.231 1.00 . C A . 70 HEC CAB 1 1 21 25531 3 2 1 HEC CAC C -6.643 2.890 -3.186 1.00 . C A . 70 HEC CAC 1 1 21 25532 3 2 1 HEC CAD C -5.503 -3.098 -8.243 1.00 . C A . 70 HEC CAD 1 1 21 25533 3 2 1 HEC CBA C -1.018 -6.126 -6.992 1.00 . C A . 70 HEC CBA 1 1 21 25534 3 2 1 HEC CBB C 0.802 1.182 1.216 1.00 . C A . 70 HEC CBB 1 1 21 25535 3 2 1 HEC CBC C -6.601 4.238 -3.892 1.00 . C A . 70 HEC CBC 1 1 21 25536 3 2 1 HEC CBD C -6.768 -3.964 -8.307 1.00 . C A . 70 HEC CBD 1 1 21 25537 3 2 1 HEC CGA C -1.173 -7.253 -8.016 1.00 . C A . 70 HEC CGA 1 1 21 25538 3 2 1 HEC CGD C -7.396 -3.893 -9.703 1.00 . C A . 70 HEC CGD 1 1 21 25539 3 2 1 HEC CHA C -3.508 -3.780 -5.887 1.00 . C A . 70 HEC CHA 1 1 21 25540 3 2 1 HEC CHB C -0.722 -3.412 -1.886 1.00 . C A . 70 HEC CHB 1 1 21 25541 3 2 1 HEC CHC C -2.552 1.013 -1.075 1.00 . C A . 70 HEC CHC 1 1 21 25542 3 2 1 HEC CHD C -5.656 0.405 -4.745 1.00 . C A . 70 HEC CHD 1 1 21 25543 3 2 1 HEC CMA C -0.099 -6.200 -3.146 1.00 . C A . 70 HEC CMA 1 1 21 25544 3 2 1 HEC CMB C 0.694 -2.394 0.615 1.00 . C A . 70 HEC CMB 1 1 21 25545 3 2 1 HEC CMC C -4.199 3.637 -1.239 1.00 . C A . 70 HEC CMC 1 1 21 25546 3 2 1 HEC CMD C -7.024 -0.520 -7.341 1.00 . C A . 70 HEC CMD 1 1 21 25547 3 2 1 HEC FE FE -3.069 -1.421 -3.430 1.00 . C A . 70 HEC FE 1 1 21 25548 3 2 1 HEC HAA1 H -1.508 -7.311 -5.281 1.00 . C A . 70 HEC HAA1 1 1 21 25549 3 2 1 HEC HAA2 H -2.894 -6.588 -6.070 1.00 . C A . 70 HEC HAA2 1 1 21 25550 3 2 1 HEC HAB H -1.278 1.310 1.289 1.00 . C A . 70 HEC HAB 1 1 21 25551 3 2 1 HEC HAC H -7.340 2.296 -3.771 1.00 . C A . 70 HEC HAC 1 1 21 25552 3 2 1 HEC HAD1 H -5.598 -2.317 -8.994 1.00 . C A . 70 HEC HAD1 1 1 21 25553 3 2 1 HEC HAD2 H -4.640 -3.702 -8.524 1.00 . C A . 70 HEC HAD2 1 1 21 25554 3 2 1 HEC HBA1 H -1.325 -5.178 -7.439 1.00 . C A . 70 HEC HBA1 1 1 21 25555 3 2 1 HEC HBA2 H 0.028 -6.039 -6.693 1.00 . C A . 70 HEC HBA2 1 1 21 25556 3 2 1 HEC HBB1 H 0.803 1.973 1.963 1.00 . C A . 70 HEC HBB1 1 1 21 25557 3 2 1 HEC HBB2 H 1.578 0.460 1.454 1.00 . C A . 70 HEC HBB2 1 1 21 25558 3 2 1 HEC HBB3 H 1.003 1.619 0.238 1.00 . C A . 70 HEC HBB3 1 1 21 25559 3 2 1 HEC HBC1 H -6.516 4.039 -4.958 1.00 . C A . 70 HEC HBC1 1 1 21 25560 3 2 1 HEC HBC2 H -7.532 4.778 -3.722 1.00 . C A . 70 HEC HBC2 1 1 21 25561 3 2 1 HEC HBC3 H -5.763 4.838 -3.550 1.00 . C A . 70 HEC HBC3 1 1 21 25562 3 2 1 HEC HBD1 H -6.513 -4.995 -8.057 1.00 . C A . 70 HEC HBD1 1 1 21 25563 3 2 1 HEC HBD2 H -7.491 -3.606 -7.570 1.00 . C A . 70 HEC HBD2 1 1 21 25564 3 2 1 HEC HHA H -3.603 -4.505 -6.677 1.00 . C A . 70 HEC HHA 1 1 21 25565 3 2 1 HEC HHB H -0.013 -4.034 -1.356 1.00 . C A . 70 HEC HHB 1 1 21 25566 3 2 1 HEC HHC H -2.481 1.714 -0.264 1.00 . C A . 70 HEC HHC 1 1 21 25567 3 2 1 HEC HHD H -6.456 0.978 -5.163 1.00 . C A . 70 HEC HHD 1 1 21 25568 3 2 1 HEC HMA1 H -0.603 -6.893 -2.470 1.00 . C A . 70 HEC HMA1 1 1 21 25569 3 2 1 HEC HMA2 H 0.302 -6.754 -3.994 1.00 . C A . 70 HEC HMA2 1 1 21 25570 3 2 1 HEC HMA3 H 0.735 -5.732 -2.631 1.00 . C A . 70 HEC HMA3 1 1 21 25571 3 2 1 HEC HMB1 H 0.182 -3.240 1.070 1.00 . C A . 70 HEC HMB1 1 1 21 25572 3 2 1 HEC HMB2 H 1.511 -2.751 -0.008 1.00 . C A . 70 HEC HMB2 1 1 21 25573 3 2 1 HEC HMB3 H 1.100 -1.762 1.398 1.00 . C A . 70 HEC HMB3 1 1 21 25574 3 2 1 HEC HMC1 H -4.473 4.518 -1.815 1.00 . C A . 70 HEC HMC1 1 1 21 25575 3 2 1 HEC HMC2 H -4.848 3.577 -0.368 1.00 . C A . 70 HEC HMC2 1 1 21 25576 3 2 1 HEC HMC3 H -3.167 3.764 -0.921 1.00 . C A . 70 HEC HMC3 1 1 21 25577 3 2 1 HEC HMD1 H -7.687 0.038 -6.678 1.00 . C A . 70 HEC HMD1 1 1 21 25578 3 2 1 HEC HMD2 H -6.556 0.175 -8.035 1.00 . C A . 70 HEC HMD2 1 1 21 25579 3 2 1 HEC HMD3 H -7.621 -1.240 -7.902 1.00 . C A . 70 HEC HMD3 1 1 21 25580 3 2 1 HEC NA N -2.308 -3.245 -3.783 1.00 . C A . 70 HEC NA 1 1 21 25581 3 2 1 HEC NB N -1.810 -1.195 -1.871 1.00 . C A . 70 HEC NB 1 1 21 25582 3 2 1 HEC NC N -3.899 0.374 -3.027 1.00 . C A . 70 HEC NC 1 1 21 25583 3 2 1 HEC ND N -4.348 -1.652 -5.000 1.00 . C A . 70 HEC ND 1 1 21 25584 3 2 1 HEC O1A O -0.647 -8.352 -7.735 1.00 . C A . 70 HEC O1A 1 1 21 25585 3 2 1 HEC O1D O -8.590 -3.540 -9.797 1.00 . C A . 70 HEC O1D 1 1 21 25586 3 2 1 HEC O2A O -1.852 -7.009 -9.037 1.00 . C A . 70 HEC O2A 1 1 21 25587 3 2 1 HEC O2D O -6.647 -4.071 -10.693 1.00 . C A . 70 HEC O2D 1 1 21 25588 4 2 1 HEC C1A C 3.276 -5.219 9.593 1.00 . D A . 71 HEC C1A 1 1 21 25589 4 2 1 HEC C1B C 0.245 -8.211 9.831 1.00 . D A . 71 HEC C1B 1 1 21 25590 4 2 1 HEC C1C C -1.507 -6.693 6.276 1.00 . D A . 71 HEC C1C 1 1 21 25591 4 2 1 HEC C1D C 1.653 -3.912 5.850 1.00 . D A . 71 HEC C1D 1 1 21 25592 4 2 1 HEC C2A C 3.988 -5.617 10.792 1.00 . D A . 71 HEC C2A 1 1 21 25593 4 2 1 HEC C2B C -0.785 -9.182 10.119 1.00 . D A . 71 HEC C2B 1 1 21 25594 4 2 1 HEC C2C C -2.153 -6.448 5.016 1.00 . D A . 71 HEC C2C 1 1 21 25595 4 2 1 HEC C2D C 2.597 -2.848 5.625 1.00 . D A . 71 HEC C2D 1 1 21 25596 4 2 1 HEC C3A C 3.342 -6.718 11.296 1.00 . D A . 71 HEC C3A 1 1 21 25597 4 2 1 HEC C3B C -1.797 -8.978 9.212 1.00 . D A . 71 HEC C3B 1 1 21 25598 4 2 1 HEC C3C C -1.460 -5.436 4.399 1.00 . D A . 71 HEC C3C 1 1 21 25599 4 2 1 HEC C3D C 3.440 -2.792 6.713 1.00 . D A . 71 HEC C3D 1 1 21 25600 4 2 1 HEC C4A C 2.249 -7.022 10.403 1.00 . D A . 71 HEC C4A 1 1 21 25601 4 2 1 HEC C4B C -1.300 -7.997 8.271 1.00 . D A . 71 HEC C4B 1 1 21 25602 4 2 1 HEC C4C C -0.301 -5.168 5.235 1.00 . D A . 71 HEC C4C 1 1 21 25603 4 2 1 HEC C4D C 2.991 -3.824 7.629 1.00 . D A . 71 HEC C4D 1 1 21 25604 4 2 1 HEC CAA C 5.117 -4.897 11.500 1.00 . D A . 71 HEC CAA 1 1 21 25605 4 2 1 HEC CAB C -3.249 -9.419 9.352 1.00 . D A . 71 HEC CAB 1 1 21 25606 4 2 1 HEC CAC C -1.884 -4.705 3.135 1.00 . D A . 71 HEC CAC 1 1 21 25607 4 2 1 HEC CAD C 4.566 -1.784 6.912 1.00 . D A . 71 HEC CAD 1 1 21 25608 4 2 1 HEC CBA C 6.412 -5.700 11.701 1.00 . D A . 71 HEC CBA 1 1 21 25609 4 2 1 HEC CBB C -3.882 -8.968 10.668 1.00 . D A . 71 HEC CBB 1 1 21 25610 4 2 1 HEC CBC C -3.359 -4.272 3.145 1.00 . D A . 71 HEC CBC 1 1 21 25611 4 2 1 HEC CBD C 5.904 -2.281 7.487 1.00 . D A . 71 HEC CBD 1 1 21 25612 4 2 1 HEC CGA C 7.274 -5.160 12.854 1.00 . D A . 71 HEC CGA 1 1 21 25613 4 2 1 HEC CGD C 6.304 -1.624 8.829 1.00 . D A . 71 HEC CGD 1 1 21 25614 4 2 1 HEC CHA C 3.600 -4.131 8.825 1.00 . D A . 71 HEC CHA 1 1 21 25615 4 2 1 HEC CHB C 1.352 -8.039 10.629 1.00 . D A . 71 HEC CHB 1 1 21 25616 4 2 1 HEC CHC C -1.981 -7.609 7.154 1.00 . D A . 71 HEC CHC 1 1 21 25617 4 2 1 HEC CHD C 0.659 -4.230 4.943 1.00 . D A . 71 HEC CHD 1 1 21 25618 4 2 1 HEC CMA C 3.684 -7.419 12.592 1.00 . D A . 71 HEC CMA 1 1 21 25619 4 2 1 HEC CMB C -0.768 -10.187 11.246 1.00 . D A . 71 HEC CMB 1 1 21 25620 4 2 1 HEC CMC C -3.281 -7.281 4.455 1.00 . D A . 71 HEC CMC 1 1 21 25621 4 2 1 HEC CMD C 2.604 -1.966 4.402 1.00 . D A . 71 HEC CMD 1 1 21 25622 4 2 1 HEC FE FE 0.916 -5.990 7.915 1.00 . D A . 71 HEC FE 1 1 21 25623 4 2 1 HEC HAA1 H 5.387 -3.966 11.005 1.00 . D A . 71 HEC HAA1 1 1 21 25624 4 2 1 HEC HAA2 H 4.720 -4.656 12.481 1.00 . D A . 71 HEC HAA2 1 1 21 25625 4 2 1 HEC HAB H -3.837 -8.912 8.604 1.00 . D A . 71 HEC HAB 1 1 21 25626 4 2 1 HEC HAC H -1.295 -3.797 3.029 1.00 . D A . 71 HEC HAC 1 1 21 25627 4 2 1 HEC HAD1 H 4.820 -1.295 5.977 1.00 . D A . 71 HEC HAD1 1 1 21 25628 4 2 1 HEC HAD2 H 4.180 -1.018 7.562 1.00 . D A . 71 HEC HAD2 1 1 21 25629 4 2 1 HEC HBA1 H 6.177 -6.740 11.924 1.00 . D A . 71 HEC HBA1 1 1 21 25630 4 2 1 HEC HBA2 H 6.984 -5.680 10.771 1.00 . D A . 71 HEC HBA2 1 1 21 25631 4 2 1 HEC HBB1 H -3.427 -9.474 11.517 1.00 . D A . 71 HEC HBB1 1 1 21 25632 4 2 1 HEC HBB2 H -3.756 -7.889 10.774 1.00 . D A . 71 HEC HBB2 1 1 21 25633 4 2 1 HEC HBB3 H -4.949 -9.194 10.649 1.00 . D A . 71 HEC HBB3 1 1 21 25634 4 2 1 HEC HBC1 H -3.554 -3.649 4.016 1.00 . D A . 71 HEC HBC1 1 1 21 25635 4 2 1 HEC HBC2 H -3.587 -3.719 2.235 1.00 . D A . 71 HEC HBC2 1 1 21 25636 4 2 1 HEC HBC3 H -4.037 -5.120 3.177 1.00 . D A . 71 HEC HBC3 1 1 21 25637 4 2 1 HEC HBD1 H 5.850 -3.358 7.596 1.00 . D A . 71 HEC HBD1 1 1 21 25638 4 2 1 HEC HBD2 H 6.681 -2.073 6.749 1.00 . D A . 71 HEC HBD2 1 1 21 25639 4 2 1 HEC HHA H 4.407 -3.512 9.150 1.00 . D A . 71 HEC HHA 1 1 21 25640 4 2 1 HEC HHB H 1.451 -8.654 11.500 1.00 . D A . 71 HEC HHB 1 1 21 25641 4 2 1 HEC HHC H -2.923 -8.053 6.920 1.00 . D A . 71 HEC HHC 1 1 21 25642 4 2 1 HEC HHD H 0.610 -3.711 3.996 1.00 . D A . 71 HEC HHD 1 1 21 25643 4 2 1 HEC HMA1 H 2.793 -7.814 13.075 1.00 . D A . 71 HEC HMA1 1 1 21 25644 4 2 1 HEC HMA2 H 4.397 -8.215 12.391 1.00 . D A . 71 HEC HMA2 1 1 21 25645 4 2 1 HEC HMA3 H 4.148 -6.714 13.281 1.00 . D A . 71 HEC HMA3 1 1 21 25646 4 2 1 HEC HMB1 H -1.566 -10.916 11.107 1.00 . D A . 71 HEC HMB1 1 1 21 25647 4 2 1 HEC HMB2 H 0.184 -10.715 11.247 1.00 . D A . 71 HEC HMB2 1 1 21 25648 4 2 1 HEC HMB3 H -0.910 -9.671 12.195 1.00 . D A . 71 HEC HMB3 1 1 21 25649 4 2 1 HEC HMC1 H -4.219 -7.009 4.943 1.00 . D A . 71 HEC HMC1 1 1 21 25650 4 2 1 HEC HMC2 H -3.362 -7.152 3.380 1.00 . D A . 71 HEC HMC2 1 1 21 25651 4 2 1 HEC HMC3 H -3.071 -8.332 4.643 1.00 . D A . 71 HEC HMC3 1 1 21 25652 4 2 1 HEC HMD1 H 2.721 -2.603 3.538 1.00 . D A . 71 HEC HMD1 1 1 21 25653 4 2 1 HEC HMD2 H 1.663 -1.430 4.305 1.00 . D A . 71 HEC HMD2 1 1 21 25654 4 2 1 HEC HMD3 H 3.415 -1.248 4.423 1.00 . D A . 71 HEC HMD3 1 1 21 25655 4 2 1 HEC NA N 2.257 -6.106 9.400 1.00 . D A . 71 HEC NA 1 1 21 25656 4 2 1 HEC NB N -0.098 -7.539 8.709 1.00 . D A . 71 HEC NB 1 1 21 25657 4 2 1 HEC NC N -0.390 -5.951 6.353 1.00 . D A . 71 HEC NC 1 1 21 25658 4 2 1 HEC ND N 1.926 -4.464 7.064 1.00 . D A . 71 HEC ND 1 1 21 25659 4 2 1 HEC O1A O 8.422 -5.641 12.995 1.00 . D A . 71 HEC O1A 1 1 21 25660 4 2 1 HEC O1D O 5.420 -1.511 9.713 1.00 . D A . 71 HEC O1D 1 1 21 25661 4 2 1 HEC O2A O 6.786 -4.305 13.634 1.00 . D A . 71 HEC O2A 1 1 21 25662 4 2 1 HEC O2D O 7.484 -1.242 8.971 1.00 . D A . 71 HEC O2D 1 1 22 25663 1 1 1 ALA C C 7.879 4.353 -9.275 1.00 . A A . 1 ALA C 1 1 22 25664 1 1 1 ALA CA C 8.028 5.673 -8.500 1.00 . A A . 1 ALA CA 1 1 22 25665 1 1 1 ALA CB C 9.287 5.707 -7.621 1.00 . A A . 1 ALA CB 1 1 22 25666 1 1 1 ALA H1 H 6.653 5.219 -7.060 1.00 . A A . 1 ALA H1 1 1 22 25667 1 1 1 ALA H2 H 6.887 6.815 -7.164 1.00 . A A . 1 ALA H2 1 1 22 25668 1 1 1 ALA H3 H 6.010 6.035 -8.319 1.00 . A A . 1 ALA H3 1 1 22 25669 1 1 1 ALA HA H 8.138 6.467 -9.240 1.00 . A A . 1 ALA HA 1 1 22 25670 1 1 1 ALA HB1 H 9.409 6.700 -7.189 1.00 . A A . 1 ALA HB1 1 1 22 25671 1 1 1 ALA HB2 H 9.228 4.980 -6.811 1.00 . A A . 1 ALA HB2 1 1 22 25672 1 1 1 ALA HB3 H 10.163 5.483 -8.232 1.00 . A A . 1 ALA HB3 1 1 22 25673 1 1 1 ALA N N 6.814 5.967 -7.714 1.00 . A A . 1 ALA N 1 1 22 25674 1 1 1 ALA O O 7.390 4.372 -10.399 1.00 . A A . 1 ALA O 1 1 22 25675 1 1 2 ASP C C 8.426 0.946 -7.979 1.00 . A A . 2 ASP C 1 1 22 25676 1 1 2 ASP CA C 8.418 1.885 -9.192 1.00 . A A . 2 ASP CA 1 1 22 25677 1 1 2 ASP CB C 9.708 1.766 -10.012 1.00 . A A . 2 ASP CB 1 1 22 25678 1 1 2 ASP CG C 10.957 1.899 -9.150 1.00 . A A . 2 ASP CG 1 1 22 25679 1 1 2 ASP H H 8.609 3.262 -7.724 1.00 . A A . 2 ASP H 1 1 22 25680 1 1 2 ASP HA H 7.580 1.640 -9.831 1.00 . A A . 2 ASP HA 1 1 22 25681 1 1 2 ASP HB2 H 9.732 0.790 -10.498 1.00 . A A . 2 ASP HB2 1 1 22 25682 1 1 2 ASP HB3 H 9.732 2.533 -10.784 1.00 . A A . 2 ASP HB3 1 1 22 25683 1 1 2 ASP N N 8.258 3.230 -8.662 1.00 . A A . 2 ASP N 1 1 22 25684 1 1 2 ASP O O 8.456 1.429 -6.845 1.00 . A A . 2 ASP O 1 1 22 25685 1 1 2 ASP OD1 O 11.081 2.957 -8.496 1.00 . A A . 2 ASP OD1 1 1 22 25686 1 1 2 ASP OD2 O 11.758 0.942 -9.173 1.00 . A A . 2 ASP OD2 1 1 22 25687 1 1 3 VAL C C 9.017 -1.322 -6.030 1.00 . A A . 3 VAL C 1 1 22 25688 1 1 3 VAL CA C 7.987 -1.344 -7.166 1.00 . A A . 3 VAL CA 1 1 22 25689 1 1 3 VAL CB C 7.801 -2.745 -7.793 1.00 . A A . 3 VAL CB 1 1 22 25690 1 1 3 VAL CG1 C 9.007 -3.206 -8.625 1.00 . A A . 3 VAL CG1 1 1 22 25691 1 1 3 VAL CG2 C 7.504 -3.822 -6.739 1.00 . A A . 3 VAL CG2 1 1 22 25692 1 1 3 VAL H H 8.314 -0.679 -9.165 1.00 . A A . 3 VAL H 1 1 22 25693 1 1 3 VAL HA H 7.038 -1.036 -6.731 1.00 . A A . 3 VAL HA 1 1 22 25694 1 1 3 VAL HB H 6.944 -2.694 -8.466 1.00 . A A . 3 VAL HB 1 1 22 25695 1 1 3 VAL HG11 H 9.214 -2.509 -9.435 1.00 . A A . 3 VAL HG11 1 1 22 25696 1 1 3 VAL HG12 H 9.892 -3.297 -7.997 1.00 . A A . 3 VAL HG12 1 1 22 25697 1 1 3 VAL HG13 H 8.788 -4.181 -9.063 1.00 . A A . 3 VAL HG13 1 1 22 25698 1 1 3 VAL HG21 H 7.245 -4.757 -7.237 1.00 . A A . 3 VAL HG21 1 1 22 25699 1 1 3 VAL HG22 H 8.374 -3.992 -6.105 1.00 . A A . 3 VAL HG22 1 1 22 25700 1 1 3 VAL HG23 H 6.667 -3.525 -6.115 1.00 . A A . 3 VAL HG23 1 1 22 25701 1 1 3 VAL N N 8.280 -0.362 -8.210 1.00 . A A . 3 VAL N 1 1 22 25702 1 1 3 VAL O O 10.219 -1.341 -6.286 1.00 . A A . 3 VAL O 1 1 22 25703 1 1 4 VAL C C 8.868 -2.388 -2.631 1.00 . A A . 4 VAL C 1 1 22 25704 1 1 4 VAL CA C 9.397 -1.329 -3.591 1.00 . A A . 4 VAL CA 1 1 22 25705 1 1 4 VAL CB C 9.478 0.074 -2.946 1.00 . A A . 4 VAL CB 1 1 22 25706 1 1 4 VAL CG1 C 10.173 0.095 -1.571 1.00 . A A . 4 VAL CG1 1 1 22 25707 1 1 4 VAL CG2 C 10.276 1.022 -3.843 1.00 . A A . 4 VAL CG2 1 1 22 25708 1 1 4 VAL H H 7.543 -1.388 -4.611 1.00 . A A . 4 VAL H 1 1 22 25709 1 1 4 VAL HA H 10.411 -1.625 -3.846 1.00 . A A . 4 VAL HA 1 1 22 25710 1 1 4 VAL HB H 8.470 0.471 -2.841 1.00 . A A . 4 VAL HB 1 1 22 25711 1 1 4 VAL HG11 H 11.157 -0.372 -1.632 1.00 . A A . 4 VAL HG11 1 1 22 25712 1 1 4 VAL HG12 H 10.294 1.125 -1.235 1.00 . A A . 4 VAL HG12 1 1 22 25713 1 1 4 VAL HG13 H 9.590 -0.424 -0.814 1.00 . A A . 4 VAL HG13 1 1 22 25714 1 1 4 VAL HG21 H 10.300 2.016 -3.397 1.00 . A A . 4 VAL HG21 1 1 22 25715 1 1 4 VAL HG22 H 11.296 0.653 -3.953 1.00 . A A . 4 VAL HG22 1 1 22 25716 1 1 4 VAL HG23 H 9.817 1.096 -4.824 1.00 . A A . 4 VAL HG23 1 1 22 25717 1 1 4 VAL N N 8.547 -1.306 -4.776 1.00 . A A . 4 VAL N 1 1 22 25718 1 1 4 VAL O O 7.734 -2.861 -2.745 1.00 . A A . 4 VAL O 1 1 22 25719 1 1 5 THR C C 9.881 -2.686 0.754 1.00 . A A . 5 THR C 1 1 22 25720 1 1 5 THR CA C 9.273 -3.386 -0.454 1.00 . A A . 5 THR CA 1 1 22 25721 1 1 5 THR CB C 9.612 -4.880 -0.481 1.00 . A A . 5 THR CB 1 1 22 25722 1 1 5 THR CG2 C 11.015 -5.180 -1.024 1.00 . A A . 5 THR CG2 1 1 22 25723 1 1 5 THR H H 10.654 -2.412 -1.654 1.00 . A A . 5 THR H 1 1 22 25724 1 1 5 THR HA H 8.205 -3.206 -0.377 1.00 . A A . 5 THR HA 1 1 22 25725 1 1 5 THR HB H 8.897 -5.367 -1.134 1.00 . A A . 5 THR HB 1 1 22 25726 1 1 5 THR HG1 H 10.299 -5.036 1.293 1.00 . A A . 5 THR HG1 1 1 22 25727 1 1 5 THR HG21 H 11.216 -6.248 -0.934 1.00 . A A . 5 THR HG21 1 1 22 25728 1 1 5 THR HG22 H 11.081 -4.912 -2.079 1.00 . A A . 5 THR HG22 1 1 22 25729 1 1 5 THR HG23 H 11.771 -4.627 -0.465 1.00 . A A . 5 THR HG23 1 1 22 25730 1 1 5 THR N N 9.711 -2.764 -1.672 1.00 . A A . 5 THR N 1 1 22 25731 1 1 5 THR O O 11.043 -2.291 0.738 1.00 . A A . 5 THR O 1 1 22 25732 1 1 5 THR OG1 O 9.541 -5.404 0.827 1.00 . A A . 5 THR OG1 1 1 22 25733 1 1 6 TYR C C 10.452 -3.220 3.752 1.00 . A A . 6 TYR C 1 1 22 25734 1 1 6 TYR CA C 9.476 -2.204 3.148 1.00 . A A . 6 TYR CA 1 1 22 25735 1 1 6 TYR CB C 8.210 -2.087 4.010 1.00 . A A . 6 TYR CB 1 1 22 25736 1 1 6 TYR CD1 C 7.518 0.148 3.000 1.00 . A A . 6 TYR CD1 1 1 22 25737 1 1 6 TYR CD2 C 5.816 -1.537 3.376 1.00 . A A . 6 TYR CD2 1 1 22 25738 1 1 6 TYR CE1 C 6.573 0.939 2.328 1.00 . A A . 6 TYR CE1 1 1 22 25739 1 1 6 TYR CE2 C 4.864 -0.726 2.740 1.00 . A A . 6 TYR CE2 1 1 22 25740 1 1 6 TYR CG C 7.157 -1.123 3.482 1.00 . A A . 6 TYR CG 1 1 22 25741 1 1 6 TYR CZ C 5.245 0.507 2.198 1.00 . A A . 6 TYR CZ 1 1 22 25742 1 1 6 TYR H H 8.134 -2.955 1.681 1.00 . A A . 6 TYR H 1 1 22 25743 1 1 6 TYR HA H 9.985 -1.242 3.095 1.00 . A A . 6 TYR HA 1 1 22 25744 1 1 6 TYR HB2 H 7.766 -3.079 4.091 1.00 . A A . 6 TYR HB2 1 1 22 25745 1 1 6 TYR HB3 H 8.491 -1.792 5.017 1.00 . A A . 6 TYR HB3 1 1 22 25746 1 1 6 TYR HD1 H 8.539 0.493 3.049 1.00 . A A . 6 TYR HD1 1 1 22 25747 1 1 6 TYR HD2 H 5.517 -2.504 3.735 1.00 . A A . 6 TYR HD2 1 1 22 25748 1 1 6 TYR HE1 H 6.910 1.823 1.816 1.00 . A A . 6 TYR HE1 1 1 22 25749 1 1 6 TYR HE2 H 3.864 -1.093 2.573 1.00 . A A . 6 TYR HE2 1 1 22 25750 1 1 6 TYR HH H 4.902 1.450 0.562 1.00 . A A . 6 TYR HH 1 1 22 25751 1 1 6 TYR N N 9.075 -2.613 1.811 1.00 . A A . 6 TYR N 1 1 22 25752 1 1 6 TYR O O 11.441 -2.839 4.372 1.00 . A A . 6 TYR O 1 1 22 25753 1 1 6 TYR OH O 4.406 1.122 1.318 1.00 . A A . 6 TYR OH 1 1 22 25754 1 1 7 GLU C C 10.279 -5.785 5.629 1.00 . A A . 7 GLU C 1 1 22 25755 1 1 7 GLU CA C 10.793 -5.658 4.185 1.00 . A A . 7 GLU CA 1 1 22 25756 1 1 7 GLU CB C 12.325 -5.608 4.075 1.00 . A A . 7 GLU CB 1 1 22 25757 1 1 7 GLU CD C 12.645 -7.955 5.026 1.00 . A A . 7 GLU CD 1 1 22 25758 1 1 7 GLU CG C 13.012 -6.975 3.923 1.00 . A A . 7 GLU CG 1 1 22 25759 1 1 7 GLU H H 9.330 -4.700 3.004 1.00 . A A . 7 GLU H 1 1 22 25760 1 1 7 GLU HA H 10.474 -6.522 3.613 1.00 . A A . 7 GLU HA 1 1 22 25761 1 1 7 GLU HB2 H 12.608 -5.024 3.202 1.00 . A A . 7 GLU HB2 1 1 22 25762 1 1 7 GLU HB3 H 12.701 -5.122 4.968 1.00 . A A . 7 GLU HB3 1 1 22 25763 1 1 7 GLU HG2 H 12.741 -7.408 2.961 1.00 . A A . 7 GLU HG2 1 1 22 25764 1 1 7 GLU HG3 H 14.093 -6.828 3.936 1.00 . A A . 7 GLU HG3 1 1 22 25765 1 1 7 GLU N N 10.155 -4.510 3.548 1.00 . A A . 7 GLU N 1 1 22 25766 1 1 7 GLU O O 10.182 -4.797 6.353 1.00 . A A . 7 GLU O 1 1 22 25767 1 1 7 GLU OE1 O 11.573 -8.576 4.863 1.00 . A A . 7 GLU OE1 1 1 22 25768 1 1 7 GLU OE2 O 13.402 -8.053 6.013 1.00 . A A . 7 GLU OE2 1 1 22 25769 1 1 8 ASN C C 9.706 -8.796 7.590 1.00 . A A . 8 ASN C 1 1 22 25770 1 1 8 ASN CA C 9.429 -7.323 7.370 1.00 . A A . 8 ASN CA 1 1 22 25771 1 1 8 ASN CB C 7.918 -7.125 7.546 1.00 . A A . 8 ASN CB 1 1 22 25772 1 1 8 ASN CG C 7.375 -5.875 6.893 1.00 . A A . 8 ASN CG 1 1 22 25773 1 1 8 ASN H H 10.187 -7.790 5.464 1.00 . A A . 8 ASN H 1 1 22 25774 1 1 8 ASN HA H 9.975 -6.731 8.107 1.00 . A A . 8 ASN HA 1 1 22 25775 1 1 8 ASN HB2 H 7.381 -7.971 7.120 1.00 . A A . 8 ASN HB2 1 1 22 25776 1 1 8 ASN HB3 H 7.708 -7.074 8.614 1.00 . A A . 8 ASN HB3 1 1 22 25777 1 1 8 ASN HD21 H 7.321 -6.820 5.098 1.00 . A A . 8 ASN HD21 1 1 22 25778 1 1 8 ASN HD22 H 6.811 -5.120 5.119 1.00 . A A . 8 ASN HD22 1 1 22 25779 1 1 8 ASN N N 9.889 -6.995 6.033 1.00 . A A . 8 ASN N 1 1 22 25780 1 1 8 ASN ND2 N 7.138 -5.949 5.587 1.00 . A A . 8 ASN ND2 1 1 22 25781 1 1 8 ASN O O 9.547 -9.598 6.675 1.00 . A A . 8 ASN O 1 1 22 25782 1 1 8 ASN OD1 O 7.132 -4.883 7.563 1.00 . A A . 8 ASN OD1 1 1 22 25783 1 1 9 LYS C C 9.087 -11.473 8.765 1.00 . A A . 9 LYS C 1 1 22 25784 1 1 9 LYS CA C 10.245 -10.563 9.187 1.00 . A A . 9 LYS CA 1 1 22 25785 1 1 9 LYS CB C 10.489 -10.652 10.695 1.00 . A A . 9 LYS CB 1 1 22 25786 1 1 9 LYS CD C 12.791 -11.631 11.122 1.00 . A A . 9 LYS CD 1 1 22 25787 1 1 9 LYS CE C 13.046 -12.280 9.752 1.00 . A A . 9 LYS CE 1 1 22 25788 1 1 9 LYS CG C 11.947 -10.351 11.059 1.00 . A A . 9 LYS CG 1 1 22 25789 1 1 9 LYS H H 10.037 -8.463 9.551 1.00 . A A . 9 LYS H 1 1 22 25790 1 1 9 LYS HA H 11.124 -10.881 8.630 1.00 . A A . 9 LYS HA 1 1 22 25791 1 1 9 LYS HB2 H 9.843 -9.936 11.204 1.00 . A A . 9 LYS HB2 1 1 22 25792 1 1 9 LYS HB3 H 10.219 -11.645 11.051 1.00 . A A . 9 LYS HB3 1 1 22 25793 1 1 9 LYS HD2 H 13.742 -11.359 11.583 1.00 . A A . 9 LYS HD2 1 1 22 25794 1 1 9 LYS HD3 H 12.268 -12.334 11.773 1.00 . A A . 9 LYS HD3 1 1 22 25795 1 1 9 LYS HE2 H 12.115 -12.707 9.371 1.00 . A A . 9 LYS HE2 1 1 22 25796 1 1 9 LYS HE3 H 13.405 -11.523 9.051 1.00 . A A . 9 LYS HE3 1 1 22 25797 1 1 9 LYS HG2 H 12.381 -9.623 10.368 1.00 . A A . 9 LYS HG2 1 1 22 25798 1 1 9 LYS HG3 H 11.953 -9.906 12.057 1.00 . A A . 9 LYS HG3 1 1 22 25799 1 1 9 LYS HZ1 H 14.933 -13.006 10.148 1.00 . A A . 9 LYS HZ1 1 1 22 25800 1 1 9 LYS HZ2 H 13.732 -14.096 10.447 1.00 . A A . 9 LYS HZ2 1 1 22 25801 1 1 9 LYS HZ3 H 14.179 -13.762 8.901 1.00 . A A . 9 LYS HZ3 1 1 22 25802 1 1 9 LYS N N 9.998 -9.173 8.833 1.00 . A A . 9 LYS N 1 1 22 25803 1 1 9 LYS NZ N 14.046 -13.366 9.823 1.00 . A A . 9 LYS NZ 1 1 22 25804 1 1 9 LYS O O 9.300 -12.603 8.330 1.00 . A A . 9 LYS O 1 1 22 25805 1 1 10 LYS C C 6.844 -11.974 6.956 1.00 . A A . 10 LYS C 1 1 22 25806 1 1 10 LYS CA C 6.647 -11.609 8.425 1.00 . A A . 10 LYS CA 1 1 22 25807 1 1 10 LYS CB C 5.374 -10.743 8.571 1.00 . A A . 10 LYS CB 1 1 22 25808 1 1 10 LYS CD C 5.373 -9.562 10.833 1.00 . A A . 10 LYS CD 1 1 22 25809 1 1 10 LYS CE C 6.488 -10.340 11.543 1.00 . A A . 10 LYS CE 1 1 22 25810 1 1 10 LYS CG C 5.488 -9.402 9.306 1.00 . A A . 10 LYS CG 1 1 22 25811 1 1 10 LYS H H 7.840 -10.049 9.334 1.00 . A A . 10 LYS H 1 1 22 25812 1 1 10 LYS HA H 6.505 -12.531 8.991 1.00 . A A . 10 LYS HA 1 1 22 25813 1 1 10 LYS HB2 H 4.995 -10.503 7.577 1.00 . A A . 10 LYS HB2 1 1 22 25814 1 1 10 LYS HB3 H 4.599 -11.344 9.048 1.00 . A A . 10 LYS HB3 1 1 22 25815 1 1 10 LYS HD2 H 5.364 -8.562 11.249 1.00 . A A . 10 LYS HD2 1 1 22 25816 1 1 10 LYS HD3 H 4.417 -10.043 11.046 1.00 . A A . 10 LYS HD3 1 1 22 25817 1 1 10 LYS HE2 H 6.414 -11.396 11.279 1.00 . A A . 10 LYS HE2 1 1 22 25818 1 1 10 LYS HE3 H 7.449 -9.932 11.243 1.00 . A A . 10 LYS HE3 1 1 22 25819 1 1 10 LYS HG2 H 6.357 -8.832 8.985 1.00 . A A . 10 LYS HG2 1 1 22 25820 1 1 10 LYS HG3 H 4.638 -8.795 8.982 1.00 . A A . 10 LYS HG3 1 1 22 25821 1 1 10 LYS HZ1 H 6.553 -9.190 13.223 1.00 . A A . 10 LYS HZ1 1 1 22 25822 1 1 10 LYS HZ2 H 5.549 -10.485 13.391 1.00 . A A . 10 LYS HZ2 1 1 22 25823 1 1 10 LYS HZ3 H 7.190 -10.675 13.455 1.00 . A A . 10 LYS HZ3 1 1 22 25824 1 1 10 LYS N N 7.862 -10.962 8.916 1.00 . A A . 10 LYS N 1 1 22 25825 1 1 10 LYS NZ N 6.431 -10.182 13.011 1.00 . A A . 10 LYS NZ 1 1 22 25826 1 1 10 LYS O O 6.744 -13.137 6.569 1.00 . A A . 10 LYS O 1 1 22 25827 1 1 11 GLY C C 7.598 -9.763 4.090 1.00 . A A . 11 GLY C 1 1 22 25828 1 1 11 GLY CA C 7.496 -11.131 4.751 1.00 . A A . 11 GLY CA 1 1 22 25829 1 1 11 GLY H H 7.304 -10.046 6.541 1.00 . A A . 11 GLY H 1 1 22 25830 1 1 11 GLY HA2 H 8.465 -11.629 4.696 1.00 . A A . 11 GLY HA2 1 1 22 25831 1 1 11 GLY HA3 H 6.754 -11.735 4.231 1.00 . A A . 11 GLY HA3 1 1 22 25832 1 1 11 GLY N N 7.146 -10.964 6.144 1.00 . A A . 11 GLY N 1 1 22 25833 1 1 11 GLY O O 7.082 -8.762 4.607 1.00 . A A . 11 GLY O 1 1 22 25834 1 1 12 ASN C C 7.205 -8.001 1.655 1.00 . A A . 12 ASN C 1 1 22 25835 1 1 12 ASN CA C 8.532 -8.528 2.186 1.00 . A A . 12 ASN CA 1 1 22 25836 1 1 12 ASN CB C 9.499 -8.799 1.021 1.00 . A A . 12 ASN CB 1 1 22 25837 1 1 12 ASN CG C 10.691 -9.693 1.351 1.00 . A A . 12 ASN CG 1 1 22 25838 1 1 12 ASN H H 8.638 -10.608 2.583 1.00 . A A . 12 ASN H 1 1 22 25839 1 1 12 ASN HA H 8.980 -7.799 2.861 1.00 . A A . 12 ASN HA 1 1 22 25840 1 1 12 ASN HB2 H 8.950 -9.280 0.212 1.00 . A A . 12 ASN HB2 1 1 22 25841 1 1 12 ASN HB3 H 9.881 -7.855 0.643 1.00 . A A . 12 ASN HB3 1 1 22 25842 1 1 12 ASN HD21 H 10.912 -9.049 3.350 1.00 . A A . 12 ASN HD21 1 1 22 25843 1 1 12 ASN HD22 H 12.002 -10.244 2.780 1.00 . A A . 12 ASN HD22 1 1 22 25844 1 1 12 ASN N N 8.261 -9.741 2.936 1.00 . A A . 12 ASN N 1 1 22 25845 1 1 12 ASN ND2 N 11.205 -9.668 2.576 1.00 . A A . 12 ASN ND2 1 1 22 25846 1 1 12 ASN O O 6.571 -8.663 0.829 1.00 . A A . 12 ASN O 1 1 22 25847 1 1 12 ASN OD1 O 11.143 -10.449 0.500 1.00 . A A . 12 ASN OD1 1 1 22 25848 1 1 13 VAL C C 5.867 -5.701 0.263 1.00 . A A . 13 VAL C 1 1 22 25849 1 1 13 VAL CA C 5.563 -6.199 1.663 1.00 . A A . 13 VAL CA 1 1 22 25850 1 1 13 VAL CB C 5.140 -5.073 2.605 1.00 . A A . 13 VAL CB 1 1 22 25851 1 1 13 VAL CG1 C 4.073 -4.168 1.982 1.00 . A A . 13 VAL CG1 1 1 22 25852 1 1 13 VAL CG2 C 4.544 -5.688 3.871 1.00 . A A . 13 VAL CG2 1 1 22 25853 1 1 13 VAL H H 7.374 -6.304 2.762 1.00 . A A . 13 VAL H 1 1 22 25854 1 1 13 VAL HA H 4.751 -6.918 1.638 1.00 . A A . 13 VAL HA 1 1 22 25855 1 1 13 VAL HB H 6.022 -4.483 2.858 1.00 . A A . 13 VAL HB 1 1 22 25856 1 1 13 VAL HG11 H 4.459 -3.590 1.145 1.00 . A A . 13 VAL HG11 1 1 22 25857 1 1 13 VAL HG12 H 3.220 -4.759 1.654 1.00 . A A . 13 VAL HG12 1 1 22 25858 1 1 13 VAL HG13 H 3.755 -3.468 2.742 1.00 . A A . 13 VAL HG13 1 1 22 25859 1 1 13 VAL HG21 H 4.513 -4.942 4.663 1.00 . A A . 13 VAL HG21 1 1 22 25860 1 1 13 VAL HG22 H 3.537 -6.062 3.681 1.00 . A A . 13 VAL HG22 1 1 22 25861 1 1 13 VAL HG23 H 5.160 -6.522 4.188 1.00 . A A . 13 VAL HG23 1 1 22 25862 1 1 13 VAL N N 6.773 -6.838 2.149 1.00 . A A . 13 VAL N 1 1 22 25863 1 1 13 VAL O O 6.433 -4.626 0.102 1.00 . A A . 13 VAL O 1 1 22 25864 1 1 14 THR C C 4.925 -5.347 -2.762 1.00 . A A . 14 THR C 1 1 22 25865 1 1 14 THR CA C 5.977 -6.229 -2.101 1.00 . A A . 14 THR CA 1 1 22 25866 1 1 14 THR CB C 6.239 -7.560 -2.808 1.00 . A A . 14 THR CB 1 1 22 25867 1 1 14 THR CG2 C 6.833 -7.350 -4.203 1.00 . A A . 14 THR CG2 1 1 22 25868 1 1 14 THR H H 5.030 -7.360 -0.536 1.00 . A A . 14 THR H 1 1 22 25869 1 1 14 THR HA H 6.919 -5.682 -2.094 1.00 . A A . 14 THR HA 1 1 22 25870 1 1 14 THR HB H 5.305 -8.120 -2.895 1.00 . A A . 14 THR HB 1 1 22 25871 1 1 14 THR HG1 H 6.834 -8.385 -1.124 1.00 . A A . 14 THR HG1 1 1 22 25872 1 1 14 THR HG21 H 7.760 -6.781 -4.133 1.00 . A A . 14 THR HG21 1 1 22 25873 1 1 14 THR HG22 H 7.045 -8.320 -4.655 1.00 . A A . 14 THR HG22 1 1 22 25874 1 1 14 THR HG23 H 6.128 -6.813 -4.838 1.00 . A A . 14 THR HG23 1 1 22 25875 1 1 14 THR N N 5.546 -6.505 -0.743 1.00 . A A . 14 THR N 1 1 22 25876 1 1 14 THR O O 3.960 -5.857 -3.326 1.00 . A A . 14 THR O 1 1 22 25877 1 1 14 THR OG1 O 7.169 -8.293 -2.027 1.00 . A A . 14 THR OG1 1 1 22 25878 1 1 15 PHE C C 4.626 -2.505 -4.470 1.00 . A A . 15 PHE C 1 1 22 25879 1 1 15 PHE CA C 4.116 -3.069 -3.144 1.00 . A A . 15 PHE CA 1 1 22 25880 1 1 15 PHE CB C 3.791 -2.013 -2.069 1.00 . A A . 15 PHE CB 1 1 22 25881 1 1 15 PHE CD1 C 5.867 -1.265 -0.863 1.00 . A A . 15 PHE CD1 1 1 22 25882 1 1 15 PHE CD2 C 4.718 0.331 -2.301 1.00 . A A . 15 PHE CD2 1 1 22 25883 1 1 15 PHE CE1 C 6.795 -0.277 -0.513 1.00 . A A . 15 PHE CE1 1 1 22 25884 1 1 15 PHE CE2 C 5.606 1.341 -1.893 1.00 . A A . 15 PHE CE2 1 1 22 25885 1 1 15 PHE CG C 4.842 -0.970 -1.775 1.00 . A A . 15 PHE CG 1 1 22 25886 1 1 15 PHE CZ C 6.643 1.030 -0.998 1.00 . A A . 15 PHE CZ 1 1 22 25887 1 1 15 PHE H H 5.969 -3.656 -2.296 1.00 . A A . 15 PHE H 1 1 22 25888 1 1 15 PHE HA H 3.167 -3.575 -3.331 1.00 . A A . 15 PHE HA 1 1 22 25889 1 1 15 PHE HB2 H 2.880 -1.486 -2.336 1.00 . A A . 15 PHE HB2 1 1 22 25890 1 1 15 PHE HB3 H 3.586 -2.532 -1.135 1.00 . A A . 15 PHE HB3 1 1 22 25891 1 1 15 PHE HD1 H 5.946 -2.247 -0.425 1.00 . A A . 15 PHE HD1 1 1 22 25892 1 1 15 PHE HD2 H 3.944 0.559 -3.021 1.00 . A A . 15 PHE HD2 1 1 22 25893 1 1 15 PHE HE1 H 7.573 -0.494 0.204 1.00 . A A . 15 PHE HE1 1 1 22 25894 1 1 15 PHE HE2 H 5.497 2.350 -2.267 1.00 . A A . 15 PHE HE2 1 1 22 25895 1 1 15 PHE HZ H 7.326 1.788 -0.657 1.00 . A A . 15 PHE HZ 1 1 22 25896 1 1 15 PHE N N 5.087 -4.026 -2.648 1.00 . A A . 15 PHE N 1 1 22 25897 1 1 15 PHE O O 5.623 -1.779 -4.518 1.00 . A A . 15 PHE O 1 1 22 25898 1 1 16 ASP C C 3.636 -0.616 -6.402 1.00 . A A . 16 ASP C 1 1 22 25899 1 1 16 ASP CA C 4.085 -2.037 -6.773 1.00 . A A . 16 ASP CA 1 1 22 25900 1 1 16 ASP CB C 3.372 -2.671 -7.982 1.00 . A A . 16 ASP CB 1 1 22 25901 1 1 16 ASP CG C 3.775 -2.052 -9.327 1.00 . A A . 16 ASP CG 1 1 22 25902 1 1 16 ASP H H 3.148 -3.461 -5.497 1.00 . A A . 16 ASP H 1 1 22 25903 1 1 16 ASP HA H 5.138 -2.009 -7.030 1.00 . A A . 16 ASP HA 1 1 22 25904 1 1 16 ASP HB2 H 3.646 -3.725 -8.028 1.00 . A A . 16 ASP HB2 1 1 22 25905 1 1 16 ASP HB3 H 2.294 -2.608 -7.847 1.00 . A A . 16 ASP HB3 1 1 22 25906 1 1 16 ASP N N 3.940 -2.841 -5.570 1.00 . A A . 16 ASP N 1 1 22 25907 1 1 16 ASP O O 2.909 -0.407 -5.432 1.00 . A A . 16 ASP O 1 1 22 25908 1 1 16 ASP OD1 O 4.118 -0.855 -9.364 1.00 . A A . 16 ASP OD1 1 1 22 25909 1 1 16 ASP OD2 O 3.671 -2.729 -10.373 1.00 . A A . 16 ASP OD2 1 1 22 25910 1 1 17 HIS C C 3.634 2.487 -8.065 1.00 . A A . 17 HIS C 1 1 22 25911 1 1 17 HIS CA C 4.117 1.776 -6.803 1.00 . A A . 17 HIS CA 1 1 22 25912 1 1 17 HIS CB C 5.566 2.112 -6.427 1.00 . A A . 17 HIS CB 1 1 22 25913 1 1 17 HIS CD2 C 4.994 4.490 -5.649 1.00 . A A . 17 HIS CD2 1 1 22 25914 1 1 17 HIS CE1 C 6.905 5.025 -4.706 1.00 . A A . 17 HIS CE1 1 1 22 25915 1 1 17 HIS CG C 5.846 3.429 -5.770 1.00 . A A . 17 HIS CG 1 1 22 25916 1 1 17 HIS H H 4.535 0.070 -8.012 1.00 . A A . 17 HIS H 1 1 22 25917 1 1 17 HIS HA H 3.449 1.986 -5.966 1.00 . A A . 17 HIS HA 1 1 22 25918 1 1 17 HIS HB2 H 5.933 1.344 -5.743 1.00 . A A . 17 HIS HB2 1 1 22 25919 1 1 17 HIS HB3 H 6.160 2.076 -7.332 1.00 . A A . 17 HIS HB3 1 1 22 25920 1 1 17 HIS HD1 H 7.854 3.173 -5.084 1.00 . A A . 17 HIS HD1 1 1 22 25921 1 1 17 HIS HD2 H 3.978 4.527 -6.005 1.00 . A A . 17 HIS HD2 1 1 22 25922 1 1 17 HIS HE1 H 7.674 5.554 -4.162 1.00 . A A . 17 HIS HE1 1 1 22 25923 1 1 17 HIS N N 4.129 0.368 -7.128 1.00 . A A . 17 HIS N 1 1 22 25924 1 1 17 HIS ND1 N 7.040 3.773 -5.177 1.00 . A A . 17 HIS ND1 1 1 22 25925 1 1 17 HIS NE2 N 5.682 5.513 -4.992 1.00 . A A . 17 HIS NE2 1 1 22 25926 1 1 17 HIS O O 2.600 3.152 -8.072 1.00 . A A . 17 HIS O 1 1 22 25927 1 1 18 LYS C C 2.623 2.081 -10.876 1.00 . A A . 18 LYS C 1 1 22 25928 1 1 18 LYS CA C 3.980 2.673 -10.493 1.00 . A A . 18 LYS CA 1 1 22 25929 1 1 18 LYS CB C 5.145 2.478 -11.466 1.00 . A A . 18 LYS CB 1 1 22 25930 1 1 18 LYS CD C 5.488 0.096 -12.178 1.00 . A A . 18 LYS CD 1 1 22 25931 1 1 18 LYS CE C 4.881 -1.049 -13.003 1.00 . A A . 18 LYS CE 1 1 22 25932 1 1 18 LYS CG C 4.921 1.464 -12.566 1.00 . A A . 18 LYS CG 1 1 22 25933 1 1 18 LYS H H 5.161 1.658 -9.081 1.00 . A A . 18 LYS H 1 1 22 25934 1 1 18 LYS HA H 3.851 3.742 -10.521 1.00 . A A . 18 LYS HA 1 1 22 25935 1 1 18 LYS HB2 H 5.396 3.434 -11.916 1.00 . A A . 18 LYS HB2 1 1 22 25936 1 1 18 LYS HB3 H 6.032 2.199 -10.933 1.00 . A A . 18 LYS HB3 1 1 22 25937 1 1 18 LYS HD2 H 6.569 0.129 -12.339 1.00 . A A . 18 LYS HD2 1 1 22 25938 1 1 18 LYS HD3 H 5.351 -0.067 -11.115 1.00 . A A . 18 LYS HD3 1 1 22 25939 1 1 18 LYS HE2 H 4.924 -0.799 -14.065 1.00 . A A . 18 LYS HE2 1 1 22 25940 1 1 18 LYS HE3 H 5.468 -1.951 -12.828 1.00 . A A . 18 LYS HE3 1 1 22 25941 1 1 18 LYS HG2 H 3.881 1.475 -12.863 1.00 . A A . 18 LYS HG2 1 1 22 25942 1 1 18 LYS HG3 H 5.494 1.830 -13.396 1.00 . A A . 18 LYS HG3 1 1 22 25943 1 1 18 LYS HZ1 H 3.441 -1.639 -11.649 1.00 . A A . 18 LYS HZ1 1 1 22 25944 1 1 18 LYS HZ2 H 2.872 -0.541 -12.818 1.00 . A A . 18 LYS HZ2 1 1 22 25945 1 1 18 LYS HZ3 H 3.130 -2.103 -13.182 1.00 . A A . 18 LYS HZ3 1 1 22 25946 1 1 18 LYS N N 4.363 2.264 -9.160 1.00 . A A . 18 LYS N 1 1 22 25947 1 1 18 LYS NZ N 3.482 -1.341 -12.627 1.00 . A A . 18 LYS NZ 1 1 22 25948 1 1 18 LYS O O 1.791 2.808 -11.388 1.00 . A A . 18 LYS O 1 1 22 25949 1 1 19 ALA C C -0.037 1.142 -10.119 1.00 . A A . 19 ALA C 1 1 22 25950 1 1 19 ALA CA C 1.018 0.226 -10.719 1.00 . A A . 19 ALA CA 1 1 22 25951 1 1 19 ALA CB C 0.898 -1.093 -9.974 1.00 . A A . 19 ALA CB 1 1 22 25952 1 1 19 ALA H H 3.145 0.244 -10.243 1.00 . A A . 19 ALA H 1 1 22 25953 1 1 19 ALA HA H 0.762 0.038 -11.756 1.00 . A A . 19 ALA HA 1 1 22 25954 1 1 19 ALA HB1 H 1.415 -1.880 -10.513 1.00 . A A . 19 ALA HB1 1 1 22 25955 1 1 19 ALA HB2 H 1.292 -0.948 -8.970 1.00 . A A . 19 ALA HB2 1 1 22 25956 1 1 19 ALA HB3 H -0.154 -1.370 -9.903 1.00 . A A . 19 ALA HB3 1 1 22 25957 1 1 19 ALA N N 2.367 0.800 -10.600 1.00 . A A . 19 ALA N 1 1 22 25958 1 1 19 ALA O O -0.960 1.586 -10.795 1.00 . A A . 19 ALA O 1 1 22 25959 1 1 20 HIS C C -0.959 3.580 -8.782 1.00 . A A . 20 HIS C 1 1 22 25960 1 1 20 HIS CA C -0.904 2.193 -8.125 1.00 . A A . 20 HIS CA 1 1 22 25961 1 1 20 HIS CB C -0.585 2.199 -6.625 1.00 . A A . 20 HIS CB 1 1 22 25962 1 1 20 HIS CD2 C -1.833 0.365 -5.323 1.00 . A A . 20 HIS CD2 1 1 22 25963 1 1 20 HIS CE1 C -0.244 -1.099 -5.024 1.00 . A A . 20 HIS CE1 1 1 22 25964 1 1 20 HIS CG C -0.720 0.840 -5.961 1.00 . A A . 20 HIS CG 1 1 22 25965 1 1 20 HIS H H 0.896 1.075 -8.322 1.00 . A A . 20 HIS H 1 1 22 25966 1 1 20 HIS HA H -1.883 1.725 -8.250 1.00 . A A . 20 HIS HA 1 1 22 25967 1 1 20 HIS HB2 H 0.423 2.585 -6.459 1.00 . A A . 20 HIS HB2 1 1 22 25968 1 1 20 HIS HB3 H -1.296 2.871 -6.151 1.00 . A A . 20 HIS HB3 1 1 22 25969 1 1 20 HIS HD1 H 1.244 -0.019 -6.018 1.00 . A A . 20 HIS HD1 1 1 22 25970 1 1 20 HIS HD2 H -2.763 0.897 -5.273 1.00 . A A . 20 HIS HD2 1 1 22 25971 1 1 20 HIS HE1 H 0.303 -1.962 -4.680 1.00 . A A . 20 HIS HE1 1 1 22 25972 1 1 20 HIS N N 0.079 1.393 -8.819 1.00 . A A . 20 HIS N 1 1 22 25973 1 1 20 HIS ND1 N 0.268 -0.097 -5.764 1.00 . A A . 20 HIS ND1 1 1 22 25974 1 1 20 HIS NE2 N -1.524 -0.862 -4.715 1.00 . A A . 20 HIS NE2 1 1 22 25975 1 1 20 HIS O O -2.030 4.158 -8.945 1.00 . A A . 20 HIS O 1 1 22 25976 1 1 21 ALA C C -0.587 5.314 -11.254 1.00 . A A . 21 ALA C 1 1 22 25977 1 1 21 ALA CA C 0.236 5.357 -9.957 1.00 . A A . 21 ALA CA 1 1 22 25978 1 1 21 ALA CB C 1.683 5.762 -10.249 1.00 . A A . 21 ALA CB 1 1 22 25979 1 1 21 ALA H H 1.031 3.526 -9.121 1.00 . A A . 21 ALA H 1 1 22 25980 1 1 21 ALA HA H -0.193 6.126 -9.314 1.00 . A A . 21 ALA HA 1 1 22 25981 1 1 21 ALA HB1 H 2.288 5.703 -9.343 1.00 . A A . 21 ALA HB1 1 1 22 25982 1 1 21 ALA HB2 H 2.126 5.129 -11.010 1.00 . A A . 21 ALA HB2 1 1 22 25983 1 1 21 ALA HB3 H 1.682 6.778 -10.637 1.00 . A A . 21 ALA HB3 1 1 22 25984 1 1 21 ALA N N 0.188 4.089 -9.234 1.00 . A A . 21 ALA N 1 1 22 25985 1 1 21 ALA O O -1.448 6.146 -11.475 1.00 . A A . 21 ALA O 1 1 22 25986 1 1 22 GLU C C -2.327 3.905 -13.462 1.00 . A A . 22 GLU C 1 1 22 25987 1 1 22 GLU CA C -0.851 4.301 -13.489 1.00 . A A . 22 GLU CA 1 1 22 25988 1 1 22 GLU CB C 0.039 3.407 -14.381 1.00 . A A . 22 GLU CB 1 1 22 25989 1 1 22 GLU CD C 1.316 1.200 -14.565 1.00 . A A . 22 GLU CD 1 1 22 25990 1 1 22 GLU CG C 0.085 1.916 -14.006 1.00 . A A . 22 GLU CG 1 1 22 25991 1 1 22 GLU H H 0.279 3.629 -11.807 1.00 . A A . 22 GLU H 1 1 22 25992 1 1 22 GLU HA H -0.797 5.308 -13.906 1.00 . A A . 22 GLU HA 1 1 22 25993 1 1 22 GLU HB2 H -0.294 3.488 -15.417 1.00 . A A . 22 GLU HB2 1 1 22 25994 1 1 22 GLU HB3 H 1.057 3.799 -14.329 1.00 . A A . 22 GLU HB3 1 1 22 25995 1 1 22 GLU HG2 H 0.118 1.827 -12.931 1.00 . A A . 22 GLU HG2 1 1 22 25996 1 1 22 GLU HG3 H -0.812 1.417 -14.371 1.00 . A A . 22 GLU HG3 1 1 22 25997 1 1 22 GLU N N -0.322 4.358 -12.133 1.00 . A A . 22 GLU N 1 1 22 25998 1 1 22 GLU O O -3.132 4.443 -14.219 1.00 . A A . 22 GLU O 1 1 22 25999 1 1 22 GLU OE1 O 1.674 1.501 -15.720 1.00 . A A . 22 GLU OE1 1 1 22 26000 1 1 22 GLU OE2 O 1.891 0.359 -13.829 1.00 . A A . 22 GLU OE2 1 1 22 26001 1 1 23 LYS C C -4.883 3.783 -11.822 1.00 . A A . 23 LYS C 1 1 22 26002 1 1 23 LYS CA C -4.058 2.591 -12.316 1.00 . A A . 23 LYS CA 1 1 22 26003 1 1 23 LYS CB C -4.068 1.435 -11.303 1.00 . A A . 23 LYS CB 1 1 22 26004 1 1 23 LYS CD C -4.173 -0.629 -12.785 1.00 . A A . 23 LYS CD 1 1 22 26005 1 1 23 LYS CE C -5.030 -1.622 -11.988 1.00 . A A . 23 LYS CE 1 1 22 26006 1 1 23 LYS CG C -3.318 0.201 -11.831 1.00 . A A . 23 LYS CG 1 1 22 26007 1 1 23 LYS H H -1.965 2.533 -12.014 1.00 . A A . 23 LYS H 1 1 22 26008 1 1 23 LYS HA H -4.495 2.259 -13.257 1.00 . A A . 23 LYS HA 1 1 22 26009 1 1 23 LYS HB2 H -3.577 1.772 -10.391 1.00 . A A . 23 LYS HB2 1 1 22 26010 1 1 23 LYS HB3 H -5.097 1.174 -11.056 1.00 . A A . 23 LYS HB3 1 1 22 26011 1 1 23 LYS HD2 H -4.779 0.054 -13.381 1.00 . A A . 23 LYS HD2 1 1 22 26012 1 1 23 LYS HD3 H -3.491 -1.166 -13.446 1.00 . A A . 23 LYS HD3 1 1 22 26013 1 1 23 LYS HE2 H -4.371 -2.273 -11.409 1.00 . A A . 23 LYS HE2 1 1 22 26014 1 1 23 LYS HE3 H -5.681 -1.090 -11.292 1.00 . A A . 23 LYS HE3 1 1 22 26015 1 1 23 LYS HG2 H -2.425 0.501 -12.379 1.00 . A A . 23 LYS HG2 1 1 22 26016 1 1 23 LYS HG3 H -2.990 -0.408 -10.987 1.00 . A A . 23 LYS HG3 1 1 22 26017 1 1 23 LYS HZ1 H -6.564 -1.966 -13.339 1.00 . A A . 23 LYS HZ1 1 1 22 26018 1 1 23 LYS HZ2 H -5.305 -3.046 -13.464 1.00 . A A . 23 LYS HZ2 1 1 22 26019 1 1 23 LYS HZ3 H -6.341 -3.136 -12.202 1.00 . A A . 23 LYS HZ3 1 1 22 26020 1 1 23 LYS N N -2.686 2.986 -12.564 1.00 . A A . 23 LYS N 1 1 22 26021 1 1 23 LYS NZ N -5.865 -2.491 -12.837 1.00 . A A . 23 LYS NZ 1 1 22 26022 1 1 23 LYS O O -5.939 4.063 -12.385 1.00 . A A . 23 LYS O 1 1 22 26023 1 1 24 LEU C C -4.919 6.876 -10.815 1.00 . A A . 24 LEU C 1 1 22 26024 1 1 24 LEU CA C -5.214 5.531 -10.152 1.00 . A A . 24 LEU CA 1 1 22 26025 1 1 24 LEU CB C -4.892 5.657 -8.661 1.00 . A A . 24 LEU CB 1 1 22 26026 1 1 24 LEU CD1 C -6.895 4.673 -7.466 1.00 . A A . 24 LEU CD1 1 1 22 26027 1 1 24 LEU CD2 C -5.060 3.106 -8.129 1.00 . A A . 24 LEU CD2 1 1 22 26028 1 1 24 LEU CG C -5.393 4.546 -7.728 1.00 . A A . 24 LEU CG 1 1 22 26029 1 1 24 LEU H H -3.587 4.162 -10.283 1.00 . A A . 24 LEU H 1 1 22 26030 1 1 24 LEU HA H -6.282 5.334 -10.253 1.00 . A A . 24 LEU HA 1 1 22 26031 1 1 24 LEU HB2 H -3.817 5.771 -8.529 1.00 . A A . 24 LEU HB2 1 1 22 26032 1 1 24 LEU HB3 H -5.353 6.589 -8.335 1.00 . A A . 24 LEU HB3 1 1 22 26033 1 1 24 LEU HD11 H -7.113 5.661 -7.058 1.00 . A A . 24 LEU HD11 1 1 22 26034 1 1 24 LEU HD12 H -7.455 4.529 -8.389 1.00 . A A . 24 LEU HD12 1 1 22 26035 1 1 24 LEU HD13 H -7.205 3.920 -6.742 1.00 . A A . 24 LEU HD13 1 1 22 26036 1 1 24 LEU HD21 H -3.987 2.996 -8.255 1.00 . A A . 24 LEU HD21 1 1 22 26037 1 1 24 LEU HD22 H -5.370 2.431 -7.331 1.00 . A A . 24 LEU HD22 1 1 22 26038 1 1 24 LEU HD23 H -5.581 2.829 -9.043 1.00 . A A . 24 LEU HD23 1 1 22 26039 1 1 24 LEU HG H -4.865 4.729 -6.800 1.00 . A A . 24 LEU HG 1 1 22 26040 1 1 24 LEU N N -4.440 4.452 -10.751 1.00 . A A . 24 LEU N 1 1 22 26041 1 1 24 LEU O O -5.824 7.539 -11.316 1.00 . A A . 24 LEU O 1 1 22 26042 1 1 25 GLY C C -1.940 8.942 -10.303 1.00 . A A . 25 GLY C 1 1 22 26043 1 1 25 GLY CA C -3.239 8.665 -11.052 1.00 . A A . 25 GLY CA 1 1 22 26044 1 1 25 GLY H H -2.905 6.668 -10.505 1.00 . A A . 25 GLY H 1 1 22 26045 1 1 25 GLY HA2 H -3.059 8.741 -12.122 1.00 . A A . 25 GLY HA2 1 1 22 26046 1 1 25 GLY HA3 H -3.999 9.391 -10.760 1.00 . A A . 25 GLY HA3 1 1 22 26047 1 1 25 GLY N N -3.661 7.314 -10.737 1.00 . A A . 25 GLY N 1 1 22 26048 1 1 25 GLY O O -0.858 8.780 -10.863 1.00 . A A . 25 GLY O 1 1 22 26049 1 1 26 CYS C C -1.482 10.177 -6.811 1.00 . A A . 26 CYS C 1 1 22 26050 1 1 26 CYS CA C -0.924 9.650 -8.134 1.00 . A A . 26 CYS CA 1 1 22 26051 1 1 26 CYS CB C 0.014 10.696 -8.723 1.00 . A A . 26 CYS CB 1 1 22 26052 1 1 26 CYS H H -3.006 9.416 -8.666 1.00 . A A . 26 CYS H 1 1 22 26053 1 1 26 CYS HA H -0.390 8.722 -7.940 1.00 . A A . 26 CYS HA 1 1 22 26054 1 1 26 CYS HB2 H 0.081 10.662 -9.805 1.00 . A A . 26 CYS HB2 1 1 22 26055 1 1 26 CYS HB3 H -0.332 11.698 -8.472 1.00 . A A . 26 CYS HB3 1 1 22 26056 1 1 26 CYS N N -2.048 9.341 -9.033 1.00 . A A . 26 CYS N 1 1 22 26057 1 1 26 CYS O O -1.155 9.694 -5.722 1.00 . A A . 26 CYS O 1 1 22 26058 1 1 26 CYS SG S 1.690 10.505 -8.062 1.00 . A A . 26 CYS SG 1 1 22 26059 1 1 27 ASP C C -3.740 10.763 -4.979 1.00 . A A . 27 ASP C 1 1 22 26060 1 1 27 ASP CA C -3.324 11.745 -6.062 1.00 . A A . 27 ASP CA 1 1 22 26061 1 1 27 ASP CB C -4.555 12.179 -6.885 1.00 . A A . 27 ASP CB 1 1 22 26062 1 1 27 ASP CG C -5.214 11.058 -7.704 1.00 . A A . 27 ASP CG 1 1 22 26063 1 1 27 ASP H H -2.712 11.186 -7.934 1.00 . A A . 27 ASP H 1 1 22 26064 1 1 27 ASP HA H -2.874 12.623 -5.600 1.00 . A A . 27 ASP HA 1 1 22 26065 1 1 27 ASP HB2 H -5.296 12.581 -6.192 1.00 . A A . 27 ASP HB2 1 1 22 26066 1 1 27 ASP HB3 H -4.266 12.974 -7.571 1.00 . A A . 27 ASP HB3 1 1 22 26067 1 1 27 ASP N N -2.375 11.152 -6.984 1.00 . A A . 27 ASP N 1 1 22 26068 1 1 27 ASP O O -3.713 11.082 -3.794 1.00 . A A . 27 ASP O 1 1 22 26069 1 1 27 ASP OD1 O -4.487 10.097 -8.073 1.00 . A A . 27 ASP OD1 1 1 22 26070 1 1 27 ASP OD2 O -6.431 11.175 -7.942 1.00 . A A . 27 ASP OD2 1 1 22 26071 1 1 28 ALA C C -3.716 8.292 -3.325 1.00 . A A . 28 ALA C 1 1 22 26072 1 1 28 ALA CA C -4.507 8.426 -4.624 1.00 . A A . 28 ALA CA 1 1 22 26073 1 1 28 ALA CB C -4.342 7.179 -5.483 1.00 . A A . 28 ALA CB 1 1 22 26074 1 1 28 ALA H H -4.113 9.465 -6.441 1.00 . A A . 28 ALA H 1 1 22 26075 1 1 28 ALA HA H -5.562 8.561 -4.390 1.00 . A A . 28 ALA HA 1 1 22 26076 1 1 28 ALA HB1 H -5.029 7.265 -6.321 1.00 . A A . 28 ALA HB1 1 1 22 26077 1 1 28 ALA HB2 H -3.319 7.118 -5.860 1.00 . A A . 28 ALA HB2 1 1 22 26078 1 1 28 ALA HB3 H -4.580 6.291 -4.902 1.00 . A A . 28 ALA HB3 1 1 22 26079 1 1 28 ALA N N -4.099 9.561 -5.425 1.00 . A A . 28 ALA N 1 1 22 26080 1 1 28 ALA O O -4.291 7.968 -2.287 1.00 . A A . 28 ALA O 1 1 22 26081 1 1 29 CYS C C -0.839 9.871 -2.067 1.00 . A A . 29 CYS C 1 1 22 26082 1 1 29 CYS CA C -1.522 8.509 -2.237 1.00 . A A . 29 CYS CA 1 1 22 26083 1 1 29 CYS CB C -0.509 7.406 -2.379 1.00 . A A . 29 CYS CB 1 1 22 26084 1 1 29 CYS H H -2.025 8.788 -4.302 1.00 . A A . 29 CYS H 1 1 22 26085 1 1 29 CYS HA H -2.093 8.319 -1.326 1.00 . A A . 29 CYS HA 1 1 22 26086 1 1 29 CYS HB2 H 0.161 7.662 -3.199 1.00 . A A . 29 CYS HB2 1 1 22 26087 1 1 29 CYS HB3 H 0.066 7.336 -1.458 1.00 . A A . 29 CYS HB3 1 1 22 26088 1 1 29 CYS N N -2.402 8.517 -3.399 1.00 . A A . 29 CYS N 1 1 22 26089 1 1 29 CYS O O -0.723 10.377 -0.952 1.00 . A A . 29 CYS O 1 1 22 26090 1 1 29 CYS SG S -1.289 5.785 -2.687 1.00 . A A . 29 CYS SG 1 1 22 26091 1 1 30 HIS C C -0.490 12.863 -3.530 1.00 . A A . 30 HIS C 1 1 22 26092 1 1 30 HIS CA C 0.411 11.700 -3.138 1.00 . A A . 30 HIS CA 1 1 22 26093 1 1 30 HIS CB C 1.596 11.585 -4.094 1.00 . A A . 30 HIS CB 1 1 22 26094 1 1 30 HIS CD2 C 2.927 9.440 -4.404 1.00 . A A . 30 HIS CD2 1 1 22 26095 1 1 30 HIS CE1 C 4.269 9.539 -2.688 1.00 . A A . 30 HIS CE1 1 1 22 26096 1 1 30 HIS CG C 2.586 10.537 -3.683 1.00 . A A . 30 HIS CG 1 1 22 26097 1 1 30 HIS H H -0.542 10.058 -4.069 1.00 . A A . 30 HIS H 1 1 22 26098 1 1 30 HIS HA H 0.806 11.897 -2.139 1.00 . A A . 30 HIS HA 1 1 22 26099 1 1 30 HIS HB2 H 1.218 11.363 -5.095 1.00 . A A . 30 HIS HB2 1 1 22 26100 1 1 30 HIS HB3 H 2.103 12.548 -4.148 1.00 . A A . 30 HIS HB3 1 1 22 26101 1 1 30 HIS HD1 H 3.412 11.334 -1.922 1.00 . A A . 30 HIS HD1 1 1 22 26102 1 1 30 HIS HD2 H 2.463 9.139 -5.318 1.00 . A A . 30 HIS HD2 1 1 22 26103 1 1 30 HIS HE1 H 5.076 9.289 -2.018 1.00 . A A . 30 HIS HE1 1 1 22 26104 1 1 30 HIS N N -0.351 10.463 -3.160 1.00 . A A . 30 HIS N 1 1 22 26105 1 1 30 HIS ND1 N 3.422 10.591 -2.599 1.00 . A A . 30 HIS ND1 1 1 22 26106 1 1 30 HIS NE2 N 4.000 8.809 -3.777 1.00 . A A . 30 HIS NE2 1 1 22 26107 1 1 30 HIS O O -0.386 13.373 -4.643 1.00 . A A . 30 HIS O 1 1 22 26108 1 1 31 GLU C C -1.606 15.629 -3.301 1.00 . A A . 31 GLU C 1 1 22 26109 1 1 31 GLU CA C -2.310 14.359 -2.833 1.00 . A A . 31 GLU CA 1 1 22 26110 1 1 31 GLU CB C -3.105 14.670 -1.553 1.00 . A A . 31 GLU CB 1 1 22 26111 1 1 31 GLU CD C -4.646 13.724 0.181 1.00 . A A . 31 GLU CD 1 1 22 26112 1 1 31 GLU CG C -3.544 13.407 -0.823 1.00 . A A . 31 GLU CG 1 1 22 26113 1 1 31 GLU H H -1.349 12.781 -1.726 1.00 . A A . 31 GLU H 1 1 22 26114 1 1 31 GLU HA H -3.005 14.025 -3.605 1.00 . A A . 31 GLU HA 1 1 22 26115 1 1 31 GLU HB2 H -2.547 15.277 -0.840 1.00 . A A . 31 GLU HB2 1 1 22 26116 1 1 31 GLU HB3 H -3.996 15.232 -1.846 1.00 . A A . 31 GLU HB3 1 1 22 26117 1 1 31 GLU HG2 H -3.900 12.715 -1.578 1.00 . A A . 31 GLU HG2 1 1 22 26118 1 1 31 GLU HG3 H -2.714 12.952 -0.283 1.00 . A A . 31 GLU HG3 1 1 22 26119 1 1 31 GLU N N -1.337 13.295 -2.597 1.00 . A A . 31 GLU N 1 1 22 26120 1 1 31 GLU O O -1.879 16.180 -4.364 1.00 . A A . 31 GLU O 1 1 22 26121 1 1 31 GLU OE1 O -5.792 13.916 -0.275 1.00 . A A . 31 GLU OE1 1 1 22 26122 1 1 31 GLU OE2 O -4.307 13.816 1.380 1.00 . A A . 31 GLU OE2 1 1 22 26123 1 1 32 GLY C C 1.227 17.204 -3.455 1.00 . A A . 32 GLY C 1 1 22 26124 1 1 32 GLY CA C -0.014 17.361 -2.582 1.00 . A A . 32 GLY CA 1 1 22 26125 1 1 32 GLY H H -0.632 15.547 -1.585 1.00 . A A . 32 GLY H 1 1 22 26126 1 1 32 GLY HA2 H -0.676 18.102 -3.032 1.00 . A A . 32 GLY HA2 1 1 22 26127 1 1 32 GLY HA3 H 0.284 17.722 -1.598 1.00 . A A . 32 GLY HA3 1 1 22 26128 1 1 32 GLY N N -0.713 16.096 -2.431 1.00 . A A . 32 GLY N 1 1 22 26129 1 1 32 GLY O O 1.303 17.745 -4.556 1.00 . A A . 32 GLY O 1 1 22 26130 1 1 33 THR C C 4.188 15.085 -2.986 1.00 . A A . 33 THR C 1 1 22 26131 1 1 33 THR CA C 3.524 16.321 -3.604 1.00 . A A . 33 THR CA 1 1 22 26132 1 1 33 THR CB C 4.399 17.574 -3.395 1.00 . A A . 33 THR CB 1 1 22 26133 1 1 33 THR CG2 C 5.707 17.522 -4.188 1.00 . A A . 33 THR CG2 1 1 22 26134 1 1 33 THR H H 2.143 16.088 -2.024 1.00 . A A . 33 THR H 1 1 22 26135 1 1 33 THR HA H 3.341 16.176 -4.668 1.00 . A A . 33 THR HA 1 1 22 26136 1 1 33 THR HB H 4.644 17.663 -2.335 1.00 . A A . 33 THR HB 1 1 22 26137 1 1 33 THR HG1 H 2.987 18.512 -4.375 1.00 . A A . 33 THR HG1 1 1 22 26138 1 1 33 THR HG21 H 6.311 16.665 -3.885 1.00 . A A . 33 THR HG21 1 1 22 26139 1 1 33 THR HG22 H 5.497 17.464 -5.256 1.00 . A A . 33 THR HG22 1 1 22 26140 1 1 33 THR HG23 H 6.278 18.431 -3.996 1.00 . A A . 33 THR HG23 1 1 22 26141 1 1 33 THR N N 2.240 16.503 -2.940 1.00 . A A . 33 THR N 1 1 22 26142 1 1 33 THR O O 4.102 14.914 -1.769 1.00 . A A . 33 THR O 1 1 22 26143 1 1 33 THR OG1 O 3.716 18.749 -3.785 1.00 . A A . 33 THR OG1 1 1 22 26144 1 1 34 PRO C C 6.849 13.511 -2.570 1.00 . A A . 34 PRO C 1 1 22 26145 1 1 34 PRO CA C 5.553 13.069 -3.244 1.00 . A A . 34 PRO CA 1 1 22 26146 1 1 34 PRO CB C 5.827 12.147 -4.424 1.00 . A A . 34 PRO CB 1 1 22 26147 1 1 34 PRO CD C 4.841 14.195 -5.227 1.00 . A A . 34 PRO CD 1 1 22 26148 1 1 34 PRO CG C 5.823 13.092 -5.613 1.00 . A A . 34 PRO CG 1 1 22 26149 1 1 34 PRO HA H 4.953 12.527 -2.528 1.00 . A A . 34 PRO HA 1 1 22 26150 1 1 34 PRO HB2 H 6.772 11.621 -4.312 1.00 . A A . 34 PRO HB2 1 1 22 26151 1 1 34 PRO HB3 H 5.016 11.436 -4.555 1.00 . A A . 34 PRO HB3 1 1 22 26152 1 1 34 PRO HD2 H 5.174 15.142 -5.650 1.00 . A A . 34 PRO HD2 1 1 22 26153 1 1 34 PRO HD3 H 3.847 13.946 -5.599 1.00 . A A . 34 PRO HD3 1 1 22 26154 1 1 34 PRO HG2 H 6.821 13.508 -5.732 1.00 . A A . 34 PRO HG2 1 1 22 26155 1 1 34 PRO HG3 H 5.499 12.558 -6.499 1.00 . A A . 34 PRO HG3 1 1 22 26156 1 1 34 PRO N N 4.821 14.205 -3.775 1.00 . A A . 34 PRO N 1 1 22 26157 1 1 34 PRO O O 7.676 14.180 -3.186 1.00 . A A . 34 PRO O 1 1 22 26158 1 1 35 ALA C C 8.378 12.219 0.501 1.00 . A A . 35 ALA C 1 1 22 26159 1 1 35 ALA CA C 8.255 13.323 -0.553 1.00 . A A . 35 ALA CA 1 1 22 26160 1 1 35 ALA CB C 8.201 14.724 0.060 1.00 . A A . 35 ALA CB 1 1 22 26161 1 1 35 ALA H H 6.290 12.605 -0.845 1.00 . A A . 35 ALA H 1 1 22 26162 1 1 35 ALA HA H 9.122 13.261 -1.211 1.00 . A A . 35 ALA HA 1 1 22 26163 1 1 35 ALA HB1 H 9.115 14.923 0.618 1.00 . A A . 35 ALA HB1 1 1 22 26164 1 1 35 ALA HB2 H 8.102 15.462 -0.739 1.00 . A A . 35 ALA HB2 1 1 22 26165 1 1 35 ALA HB3 H 7.342 14.805 0.727 1.00 . A A . 35 ALA HB3 1 1 22 26166 1 1 35 ALA N N 7.035 13.097 -1.315 1.00 . A A . 35 ALA N 1 1 22 26167 1 1 35 ALA O O 8.634 12.492 1.670 1.00 . A A . 35 ALA O 1 1 22 26168 1 1 36 LYS C C 6.632 9.855 1.663 1.00 . A A . 36 LYS C 1 1 22 26169 1 1 36 LYS CA C 7.936 9.782 0.863 1.00 . A A . 36 LYS CA 1 1 22 26170 1 1 36 LYS CB C 9.130 9.426 1.770 1.00 . A A . 36 LYS CB 1 1 22 26171 1 1 36 LYS CD C 11.312 8.062 1.865 1.00 . A A . 36 LYS CD 1 1 22 26172 1 1 36 LYS CE C 10.771 7.134 2.968 1.00 . A A . 36 LYS CE 1 1 22 26173 1 1 36 LYS CG C 10.195 8.642 0.990 1.00 . A A . 36 LYS CG 1 1 22 26174 1 1 36 LYS H H 8.004 10.880 -0.940 1.00 . A A . 36 LYS H 1 1 22 26175 1 1 36 LYS HA H 7.802 8.968 0.155 1.00 . A A . 36 LYS HA 1 1 22 26176 1 1 36 LYS HB2 H 9.578 10.308 2.224 1.00 . A A . 36 LYS HB2 1 1 22 26177 1 1 36 LYS HB3 H 8.746 8.806 2.579 1.00 . A A . 36 LYS HB3 1 1 22 26178 1 1 36 LYS HD2 H 11.968 7.512 1.187 1.00 . A A . 36 LYS HD2 1 1 22 26179 1 1 36 LYS HD3 H 11.882 8.879 2.313 1.00 . A A . 36 LYS HD3 1 1 22 26180 1 1 36 LYS HE2 H 10.836 7.638 3.932 1.00 . A A . 36 LYS HE2 1 1 22 26181 1 1 36 LYS HE3 H 9.725 6.888 2.784 1.00 . A A . 36 LYS HE3 1 1 22 26182 1 1 36 LYS HG2 H 9.729 7.805 0.471 1.00 . A A . 36 LYS HG2 1 1 22 26183 1 1 36 LYS HG3 H 10.647 9.296 0.244 1.00 . A A . 36 LYS HG3 1 1 22 26184 1 1 36 LYS HZ1 H 11.221 5.333 3.851 1.00 . A A . 36 LYS HZ1 1 1 22 26185 1 1 36 LYS HZ2 H 11.048 5.256 2.271 1.00 . A A . 36 LYS HZ2 1 1 22 26186 1 1 36 LYS HZ3 H 12.464 5.895 2.896 1.00 . A A . 36 LYS HZ3 1 1 22 26187 1 1 36 LYS N N 8.164 10.973 0.051 1.00 . A A . 36 LYS N 1 1 22 26188 1 1 36 LYS NZ N 11.466 5.832 3.010 1.00 . A A . 36 LYS NZ 1 1 22 26189 1 1 36 LYS O O 6.237 10.912 2.143 1.00 . A A . 36 LYS O 1 1 22 26190 1 1 37 ILE C C 5.163 7.532 3.822 1.00 . A A . 37 ILE C 1 1 22 26191 1 1 37 ILE CA C 4.827 8.524 2.706 1.00 . A A . 37 ILE CA 1 1 22 26192 1 1 37 ILE CB C 3.563 8.067 1.959 1.00 . A A . 37 ILE CB 1 1 22 26193 1 1 37 ILE CD1 C 2.260 8.132 -0.218 1.00 . A A . 37 ILE CD1 1 1 22 26194 1 1 37 ILE CG1 C 3.553 8.524 0.499 1.00 . A A . 37 ILE CG1 1 1 22 26195 1 1 37 ILE CG2 C 2.308 8.537 2.710 1.00 . A A . 37 ILE CG2 1 1 22 26196 1 1 37 ILE H H 6.260 7.917 1.225 1.00 . A A . 37 ILE H 1 1 22 26197 1 1 37 ILE HA H 4.609 9.471 3.194 1.00 . A A . 37 ILE HA 1 1 22 26198 1 1 37 ILE HB H 3.564 6.983 1.929 1.00 . A A . 37 ILE HB 1 1 22 26199 1 1 37 ILE HD11 H 2.023 7.088 -0.010 1.00 . A A . 37 ILE HD11 1 1 22 26200 1 1 37 ILE HD12 H 1.438 8.765 0.113 1.00 . A A . 37 ILE HD12 1 1 22 26201 1 1 37 ILE HD13 H 2.377 8.255 -1.293 1.00 . A A . 37 ILE HD13 1 1 22 26202 1 1 37 ILE HG12 H 3.691 9.601 0.457 1.00 . A A . 37 ILE HG12 1 1 22 26203 1 1 37 ILE HG13 H 4.388 8.035 0.001 1.00 . A A . 37 ILE HG13 1 1 22 26204 1 1 37 ILE HG21 H 2.219 9.622 2.644 1.00 . A A . 37 ILE HG21 1 1 22 26205 1 1 37 ILE HG22 H 1.414 8.079 2.289 1.00 . A A . 37 ILE HG22 1 1 22 26206 1 1 37 ILE HG23 H 2.362 8.252 3.760 1.00 . A A . 37 ILE HG23 1 1 22 26207 1 1 37 ILE N N 5.966 8.701 1.795 1.00 . A A . 37 ILE N 1 1 22 26208 1 1 37 ILE O O 4.550 7.553 4.883 1.00 . A A . 37 ILE O 1 1 22 26209 1 1 38 ALA C C 5.599 4.433 4.581 1.00 . A A . 38 ALA C 1 1 22 26210 1 1 38 ALA CA C 6.599 5.583 4.444 1.00 . A A . 38 ALA CA 1 1 22 26211 1 1 38 ALA CB C 7.041 6.158 5.790 1.00 . A A . 38 ALA CB 1 1 22 26212 1 1 38 ALA H H 6.498 6.644 2.635 1.00 . A A . 38 ALA H 1 1 22 26213 1 1 38 ALA HA H 7.501 5.176 3.984 1.00 . A A . 38 ALA HA 1 1 22 26214 1 1 38 ALA HB1 H 6.187 6.463 6.393 1.00 . A A . 38 ALA HB1 1 1 22 26215 1 1 38 ALA HB2 H 7.603 5.402 6.338 1.00 . A A . 38 ALA HB2 1 1 22 26216 1 1 38 ALA HB3 H 7.682 7.019 5.602 1.00 . A A . 38 ALA HB3 1 1 22 26217 1 1 38 ALA N N 6.109 6.628 3.555 1.00 . A A . 38 ALA N 1 1 22 26218 1 1 38 ALA O O 5.967 3.286 4.362 1.00 . A A . 38 ALA O 1 1 22 26219 1 1 39 ILE C C 3.739 2.667 6.065 1.00 . A A . 39 ILE C 1 1 22 26220 1 1 39 ILE CA C 3.272 3.782 5.143 1.00 . A A . 39 ILE CA 1 1 22 26221 1 1 39 ILE CB C 2.652 3.322 3.827 1.00 . A A . 39 ILE CB 1 1 22 26222 1 1 39 ILE CD1 C 0.991 5.331 3.931 1.00 . A A . 39 ILE CD1 1 1 22 26223 1 1 39 ILE CG1 C 2.051 4.551 3.144 1.00 . A A . 39 ILE CG1 1 1 22 26224 1 1 39 ILE CG2 C 1.576 2.245 4.000 1.00 . A A . 39 ILE CG2 1 1 22 26225 1 1 39 ILE H H 4.107 5.731 4.963 1.00 . A A . 39 ILE H 1 1 22 26226 1 1 39 ILE HA H 2.495 4.295 5.707 1.00 . A A . 39 ILE HA 1 1 22 26227 1 1 39 ILE HB H 3.431 2.915 3.180 1.00 . A A . 39 ILE HB 1 1 22 26228 1 1 39 ILE HD11 H 0.271 4.652 4.384 1.00 . A A . 39 ILE HD11 1 1 22 26229 1 1 39 ILE HD12 H 1.455 5.942 4.705 1.00 . A A . 39 ILE HD12 1 1 22 26230 1 1 39 ILE HD13 H 0.463 5.993 3.246 1.00 . A A . 39 ILE HD13 1 1 22 26231 1 1 39 ILE HG12 H 2.852 5.222 2.858 1.00 . A A . 39 ILE HG12 1 1 22 26232 1 1 39 ILE HG13 H 1.587 4.187 2.250 1.00 . A A . 39 ILE HG13 1 1 22 26233 1 1 39 ILE HG21 H 0.939 2.477 4.852 1.00 . A A . 39 ILE HG21 1 1 22 26234 1 1 39 ILE HG22 H 0.965 2.178 3.102 1.00 . A A . 39 ILE HG22 1 1 22 26235 1 1 39 ILE HG23 H 2.050 1.275 4.148 1.00 . A A . 39 ILE HG23 1 1 22 26236 1 1 39 ILE N N 4.340 4.747 4.902 1.00 . A A . 39 ILE N 1 1 22 26237 1 1 39 ILE O O 3.933 1.515 5.685 1.00 . A A . 39 ILE O 1 1 22 26238 1 1 40 ASP C C 3.060 1.384 8.872 1.00 . A A . 40 ASP C 1 1 22 26239 1 1 40 ASP CA C 4.249 2.201 8.411 1.00 . A A . 40 ASP CA 1 1 22 26240 1 1 40 ASP CB C 4.802 2.985 9.603 1.00 . A A . 40 ASP CB 1 1 22 26241 1 1 40 ASP CG C 3.834 4.016 10.173 1.00 . A A . 40 ASP CG 1 1 22 26242 1 1 40 ASP H H 3.434 3.963 7.549 1.00 . A A . 40 ASP H 1 1 22 26243 1 1 40 ASP HA H 5.038 1.554 8.040 1.00 . A A . 40 ASP HA 1 1 22 26244 1 1 40 ASP HB2 H 5.044 2.282 10.401 1.00 . A A . 40 ASP HB2 1 1 22 26245 1 1 40 ASP HB3 H 5.733 3.439 9.298 1.00 . A A . 40 ASP HB3 1 1 22 26246 1 1 40 ASP N N 3.859 3.070 7.321 1.00 . A A . 40 ASP N 1 1 22 26247 1 1 40 ASP O O 1.911 1.761 8.650 1.00 . A A . 40 ASP O 1 1 22 26248 1 1 40 ASP OD1 O 2.964 4.489 9.406 1.00 . A A . 40 ASP OD1 1 1 22 26249 1 1 40 ASP OD2 O 3.966 4.292 11.384 1.00 . A A . 40 ASP OD2 1 1 22 26250 1 1 41 LYS C C 1.180 0.068 10.707 1.00 . A A . 41 LYS C 1 1 22 26251 1 1 41 LYS CA C 2.408 -0.651 10.139 1.00 . A A . 41 LYS CA 1 1 22 26252 1 1 41 LYS CB C 3.101 -1.555 11.174 1.00 . A A . 41 LYS CB 1 1 22 26253 1 1 41 LYS CD C 4.936 -1.920 12.900 1.00 . A A . 41 LYS CD 1 1 22 26254 1 1 41 LYS CE C 4.110 -2.559 14.027 1.00 . A A . 41 LYS CE 1 1 22 26255 1 1 41 LYS CG C 4.161 -0.889 12.068 1.00 . A A . 41 LYS CG 1 1 22 26256 1 1 41 LYS H H 4.357 0.086 9.621 1.00 . A A . 41 LYS H 1 1 22 26257 1 1 41 LYS HA H 2.069 -1.305 9.340 1.00 . A A . 41 LYS HA 1 1 22 26258 1 1 41 LYS HB2 H 2.328 -1.989 11.788 1.00 . A A . 41 LYS HB2 1 1 22 26259 1 1 41 LYS HB3 H 3.578 -2.378 10.650 1.00 . A A . 41 LYS HB3 1 1 22 26260 1 1 41 LYS HD2 H 5.330 -2.686 12.232 1.00 . A A . 41 LYS HD2 1 1 22 26261 1 1 41 LYS HD3 H 5.788 -1.395 13.324 1.00 . A A . 41 LYS HD3 1 1 22 26262 1 1 41 LYS HE2 H 3.763 -1.774 14.699 1.00 . A A . 41 LYS HE2 1 1 22 26263 1 1 41 LYS HE3 H 3.241 -3.064 13.606 1.00 . A A . 41 LYS HE3 1 1 22 26264 1 1 41 LYS HG2 H 4.918 -0.403 11.451 1.00 . A A . 41 LYS HG2 1 1 22 26265 1 1 41 LYS HG3 H 3.712 -0.138 12.716 1.00 . A A . 41 LYS HG3 1 1 22 26266 1 1 41 LYS HZ1 H 5.232 -4.307 14.213 1.00 . A A . 41 LYS HZ1 1 1 22 26267 1 1 41 LYS HZ2 H 5.719 -3.122 15.208 1.00 . A A . 41 LYS HZ2 1 1 22 26268 1 1 41 LYS HZ3 H 4.341 -3.960 15.533 1.00 . A A . 41 LYS HZ3 1 1 22 26269 1 1 41 LYS N N 3.356 0.291 9.569 1.00 . A A . 41 LYS N 1 1 22 26270 1 1 41 LYS NZ N 4.897 -3.543 14.803 1.00 . A A . 41 LYS NZ 1 1 22 26271 1 1 41 LYS O O 0.044 -0.263 10.372 1.00 . A A . 41 LYS O 1 1 22 26272 1 1 42 LYS C C -0.615 2.440 11.191 1.00 . A A . 42 LYS C 1 1 22 26273 1 1 42 LYS CA C 0.422 1.907 12.184 1.00 . A A . 42 LYS CA 1 1 22 26274 1 1 42 LYS CB C 1.097 3.085 12.896 1.00 . A A . 42 LYS CB 1 1 22 26275 1 1 42 LYS CD C 0.765 2.799 15.370 1.00 . A A . 42 LYS CD 1 1 22 26276 1 1 42 LYS CE C 1.417 2.437 16.713 1.00 . A A . 42 LYS CE 1 1 22 26277 1 1 42 LYS CG C 1.775 2.701 14.217 1.00 . A A . 42 LYS CG 1 1 22 26278 1 1 42 LYS H H 2.413 1.283 11.685 1.00 . A A . 42 LYS H 1 1 22 26279 1 1 42 LYS HA H -0.118 1.290 12.900 1.00 . A A . 42 LYS HA 1 1 22 26280 1 1 42 LYS HB2 H 1.841 3.501 12.221 1.00 . A A . 42 LYS HB2 1 1 22 26281 1 1 42 LYS HB3 H 0.365 3.872 13.086 1.00 . A A . 42 LYS HB3 1 1 22 26282 1 1 42 LYS HD2 H 0.399 3.828 15.407 1.00 . A A . 42 LYS HD2 1 1 22 26283 1 1 42 LYS HD3 H -0.075 2.133 15.167 1.00 . A A . 42 LYS HD3 1 1 22 26284 1 1 42 LYS HE2 H 1.711 1.386 16.695 1.00 . A A . 42 LYS HE2 1 1 22 26285 1 1 42 LYS HE3 H 2.313 3.046 16.854 1.00 . A A . 42 LYS HE3 1 1 22 26286 1 1 42 LYS HG2 H 2.198 1.699 14.143 1.00 . A A . 42 LYS HG2 1 1 22 26287 1 1 42 LYS HG3 H 2.590 3.408 14.388 1.00 . A A . 42 LYS HG3 1 1 22 26288 1 1 42 LYS HZ1 H -0.340 2.120 17.744 1.00 . A A . 42 LYS HZ1 1 1 22 26289 1 1 42 LYS HZ2 H 0.955 2.409 18.715 1.00 . A A . 42 LYS HZ2 1 1 22 26290 1 1 42 LYS HZ3 H 0.253 3.650 17.901 1.00 . A A . 42 LYS HZ3 1 1 22 26291 1 1 42 LYS N N 1.435 1.067 11.554 1.00 . A A . 42 LYS N 1 1 22 26292 1 1 42 LYS NZ N 0.502 2.671 17.850 1.00 . A A . 42 LYS NZ 1 1 22 26293 1 1 42 LYS O O -1.813 2.336 11.450 1.00 . A A . 42 LYS O 1 1 22 26294 1 1 43 SER C C -1.584 2.341 8.227 1.00 . A A . 43 SER C 1 1 22 26295 1 1 43 SER CA C -1.092 3.525 9.061 1.00 . A A . 43 SER CA 1 1 22 26296 1 1 43 SER CB C -0.392 4.587 8.204 1.00 . A A . 43 SER CB 1 1 22 26297 1 1 43 SER H H 0.821 3.085 9.897 1.00 . A A . 43 SER H 1 1 22 26298 1 1 43 SER HA H -1.955 3.997 9.526 1.00 . A A . 43 SER HA 1 1 22 26299 1 1 43 SER HB2 H 0.607 4.251 7.918 1.00 . A A . 43 SER HB2 1 1 22 26300 1 1 43 SER HB3 H -0.973 4.779 7.300 1.00 . A A . 43 SER HB3 1 1 22 26301 1 1 43 SER HG H -1.157 6.141 9.118 1.00 . A A . 43 SER HG 1 1 22 26302 1 1 43 SER N N -0.178 3.045 10.086 1.00 . A A . 43 SER N 1 1 22 26303 1 1 43 SER O O -2.782 2.092 8.105 1.00 . A A . 43 SER O 1 1 22 26304 1 1 43 SER OG O -0.282 5.791 8.941 1.00 . A A . 43 SER OG 1 1 22 26305 1 1 44 ALA C C -1.830 -0.477 7.056 1.00 . A A . 44 ALA C 1 1 22 26306 1 1 44 ALA CA C -0.805 0.581 6.662 1.00 . A A . 44 ALA CA 1 1 22 26307 1 1 44 ALA CB C 0.557 -0.035 6.349 1.00 . A A . 44 ALA CB 1 1 22 26308 1 1 44 ALA H H 0.325 1.880 7.865 1.00 . A A . 44 ALA H 1 1 22 26309 1 1 44 ALA HA H -1.160 1.060 5.759 1.00 . A A . 44 ALA HA 1 1 22 26310 1 1 44 ALA HB1 H 1.347 0.712 6.396 1.00 . A A . 44 ALA HB1 1 1 22 26311 1 1 44 ALA HB2 H 0.795 -0.846 7.037 1.00 . A A . 44 ALA HB2 1 1 22 26312 1 1 44 ALA HB3 H 0.511 -0.398 5.331 1.00 . A A . 44 ALA HB3 1 1 22 26313 1 1 44 ALA N N -0.628 1.619 7.653 1.00 . A A . 44 ALA N 1 1 22 26314 1 1 44 ALA O O -2.794 -0.701 6.319 1.00 . A A . 44 ALA O 1 1 22 26315 1 1 45 HIS C C -3.826 -1.681 9.164 1.00 . A A . 45 HIS C 1 1 22 26316 1 1 45 HIS CA C -2.485 -2.208 8.664 1.00 . A A . 45 HIS CA 1 1 22 26317 1 1 45 HIS CB C -1.796 -3.041 9.759 1.00 . A A . 45 HIS CB 1 1 22 26318 1 1 45 HIS CD2 C -0.258 -4.712 8.586 1.00 . A A . 45 HIS CD2 1 1 22 26319 1 1 45 HIS CE1 C -1.366 -6.569 8.925 1.00 . A A . 45 HIS CE1 1 1 22 26320 1 1 45 HIS CG C -1.390 -4.409 9.286 1.00 . A A . 45 HIS CG 1 1 22 26321 1 1 45 HIS H H -0.878 -0.806 8.832 1.00 . A A . 45 HIS H 1 1 22 26322 1 1 45 HIS HA H -2.698 -2.859 7.815 1.00 . A A . 45 HIS HA 1 1 22 26323 1 1 45 HIS HB2 H -0.910 -2.534 10.136 1.00 . A A . 45 HIS HB2 1 1 22 26324 1 1 45 HIS HB3 H -2.474 -3.175 10.604 1.00 . A A . 45 HIS HB3 1 1 22 26325 1 1 45 HIS HD1 H -2.930 -5.681 10.027 1.00 . A A . 45 HIS HD1 1 1 22 26326 1 1 45 HIS HD2 H 0.495 -4.002 8.291 1.00 . A A . 45 HIS HD2 1 1 22 26327 1 1 45 HIS HE1 H -1.636 -7.611 8.945 1.00 . A A . 45 HIS HE1 1 1 22 26328 1 1 45 HIS N N -1.621 -1.123 8.210 1.00 . A A . 45 HIS N 1 1 22 26329 1 1 45 HIS ND1 N -2.078 -5.581 9.496 1.00 . A A . 45 HIS ND1 1 1 22 26330 1 1 45 HIS NE2 N -0.248 -6.092 8.356 1.00 . A A . 45 HIS NE2 1 1 22 26331 1 1 45 HIS O O -4.774 -2.457 9.279 1.00 . A A . 45 HIS O 1 1 22 26332 1 1 46 LYS C C -5.950 0.523 8.681 1.00 . A A . 46 LYS C 1 1 22 26333 1 1 46 LYS CA C -5.124 0.241 9.930 1.00 . A A . 46 LYS CA 1 1 22 26334 1 1 46 LYS CB C -4.774 1.465 10.793 1.00 . A A . 46 LYS CB 1 1 22 26335 1 1 46 LYS CD C -6.004 3.650 10.554 1.00 . A A . 46 LYS CD 1 1 22 26336 1 1 46 LYS CE C -4.980 4.651 11.112 1.00 . A A . 46 LYS CE 1 1 22 26337 1 1 46 LYS CG C -5.997 2.279 11.243 1.00 . A A . 46 LYS CG 1 1 22 26338 1 1 46 LYS H H -3.130 0.222 9.218 1.00 . A A . 46 LYS H 1 1 22 26339 1 1 46 LYS HA H -5.704 -0.424 10.564 1.00 . A A . 46 LYS HA 1 1 22 26340 1 1 46 LYS HB2 H -4.262 1.101 11.686 1.00 . A A . 46 LYS HB2 1 1 22 26341 1 1 46 LYS HB3 H -4.076 2.101 10.254 1.00 . A A . 46 LYS HB3 1 1 22 26342 1 1 46 LYS HD2 H -5.754 3.479 9.511 1.00 . A A . 46 LYS HD2 1 1 22 26343 1 1 46 LYS HD3 H -7.014 4.063 10.585 1.00 . A A . 46 LYS HD3 1 1 22 26344 1 1 46 LYS HE2 H -4.003 4.174 11.216 1.00 . A A . 46 LYS HE2 1 1 22 26345 1 1 46 LYS HE3 H -4.879 5.470 10.397 1.00 . A A . 46 LYS HE3 1 1 22 26346 1 1 46 LYS HG2 H -6.910 1.745 10.967 1.00 . A A . 46 LYS HG2 1 1 22 26347 1 1 46 LYS HG3 H -5.992 2.387 12.328 1.00 . A A . 46 LYS HG3 1 1 22 26348 1 1 46 LYS HZ1 H -5.481 4.482 13.099 1.00 . A A . 46 LYS HZ1 1 1 22 26349 1 1 46 LYS HZ2 H -4.700 5.881 12.727 1.00 . A A . 46 LYS HZ2 1 1 22 26350 1 1 46 LYS HZ3 H -6.280 5.692 12.315 1.00 . A A . 46 LYS HZ3 1 1 22 26351 1 1 46 LYS N N -3.898 -0.386 9.478 1.00 . A A . 46 LYS N 1 1 22 26352 1 1 46 LYS NZ N -5.393 5.217 12.411 1.00 . A A . 46 LYS NZ 1 1 22 26353 1 1 46 LYS O O -6.908 -0.190 8.393 1.00 . A A . 46 LYS O 1 1 22 26354 1 1 47 ASP C C -5.274 2.896 5.949 1.00 . A A . 47 ASP C 1 1 22 26355 1 1 47 ASP CA C -6.240 2.033 6.762 1.00 . A A . 47 ASP CA 1 1 22 26356 1 1 47 ASP CB C -7.524 2.792 7.172 1.00 . A A . 47 ASP CB 1 1 22 26357 1 1 47 ASP CG C -8.737 1.881 7.272 1.00 . A A . 47 ASP CG 1 1 22 26358 1 1 47 ASP H H -4.638 1.964 8.146 1.00 . A A . 47 ASP H 1 1 22 26359 1 1 47 ASP HA H -6.523 1.189 6.132 1.00 . A A . 47 ASP HA 1 1 22 26360 1 1 47 ASP HB2 H -7.389 3.334 8.101 1.00 . A A . 47 ASP HB2 1 1 22 26361 1 1 47 ASP HB3 H -7.771 3.529 6.410 1.00 . A A . 47 ASP HB3 1 1 22 26362 1 1 47 ASP N N -5.532 1.536 7.923 1.00 . A A . 47 ASP N 1 1 22 26363 1 1 47 ASP O O -5.450 4.107 5.840 1.00 . A A . 47 ASP O 1 1 22 26364 1 1 47 ASP OD1 O -9.194 1.429 6.199 1.00 . A A . 47 ASP OD1 1 1 22 26365 1 1 47 ASP OD2 O -9.229 1.611 8.388 1.00 . A A . 47 ASP OD2 1 1 22 26366 1 1 48 ALA C C -3.871 1.738 3.016 1.00 . A A . 48 ALA C 1 1 22 26367 1 1 48 ALA CA C -3.671 2.777 4.114 1.00 . A A . 48 ALA CA 1 1 22 26368 1 1 48 ALA CB C -2.206 3.191 4.311 1.00 . A A . 48 ALA CB 1 1 22 26369 1 1 48 ALA H H -4.126 1.281 5.569 1.00 . A A . 48 ALA H 1 1 22 26370 1 1 48 ALA HA H -4.206 3.675 3.801 1.00 . A A . 48 ALA HA 1 1 22 26371 1 1 48 ALA HB1 H -1.961 3.954 3.571 1.00 . A A . 48 ALA HB1 1 1 22 26372 1 1 48 ALA HB2 H -2.057 3.605 5.308 1.00 . A A . 48 ALA HB2 1 1 22 26373 1 1 48 ALA HB3 H -1.521 2.363 4.157 1.00 . A A . 48 ALA HB3 1 1 22 26374 1 1 48 ALA N N -4.278 2.252 5.331 1.00 . A A . 48 ALA N 1 1 22 26375 1 1 48 ALA O O -4.749 1.898 2.171 1.00 . A A . 48 ALA O 1 1 22 26376 1 1 49 CYS C C -4.676 -1.001 2.169 1.00 . A A . 49 CYS C 1 1 22 26377 1 1 49 CYS CA C -3.265 -0.426 2.076 1.00 . A A . 49 CYS CA 1 1 22 26378 1 1 49 CYS CB C -2.216 -1.496 2.281 1.00 . A A . 49 CYS CB 1 1 22 26379 1 1 49 CYS H H -2.456 0.510 3.816 1.00 . A A . 49 CYS H 1 1 22 26380 1 1 49 CYS HA H -3.148 0.002 1.088 1.00 . A A . 49 CYS HA 1 1 22 26381 1 1 49 CYS HB2 H -2.477 -2.071 3.163 1.00 . A A . 49 CYS HB2 1 1 22 26382 1 1 49 CYS HB3 H -2.217 -2.180 1.432 1.00 . A A . 49 CYS HB3 1 1 22 26383 1 1 49 CYS N N -3.126 0.632 3.068 1.00 . A A . 49 CYS N 1 1 22 26384 1 1 49 CYS O O -5.449 -1.002 1.207 1.00 . A A . 49 CYS O 1 1 22 26385 1 1 49 CYS SG S -0.538 -0.855 2.597 1.00 . A A . 49 CYS SG 1 1 22 26386 1 1 50 LYS C C -7.490 -1.114 3.281 1.00 . A A . 50 LYS C 1 1 22 26387 1 1 50 LYS CA C -6.328 -2.056 3.619 1.00 . A A . 50 LYS CA 1 1 22 26388 1 1 50 LYS CB C -6.419 -2.596 5.053 1.00 . A A . 50 LYS CB 1 1 22 26389 1 1 50 LYS CD C -5.919 -4.649 6.457 1.00 . A A . 50 LYS CD 1 1 22 26390 1 1 50 LYS CE C -5.130 -5.968 6.504 1.00 . A A . 50 LYS CE 1 1 22 26391 1 1 50 LYS CG C -5.500 -3.816 5.236 1.00 . A A . 50 LYS CG 1 1 22 26392 1 1 50 LYS H H -4.365 -1.415 4.129 1.00 . A A . 50 LYS H 1 1 22 26393 1 1 50 LYS HA H -6.413 -2.915 2.949 1.00 . A A . 50 LYS HA 1 1 22 26394 1 1 50 LYS HB2 H -6.172 -1.819 5.779 1.00 . A A . 50 LYS HB2 1 1 22 26395 1 1 50 LYS HB3 H -7.450 -2.911 5.219 1.00 . A A . 50 LYS HB3 1 1 22 26396 1 1 50 LYS HD2 H -5.748 -4.063 7.364 1.00 . A A . 50 LYS HD2 1 1 22 26397 1 1 50 LYS HD3 H -6.985 -4.866 6.373 1.00 . A A . 50 LYS HD3 1 1 22 26398 1 1 50 LYS HE2 H -5.160 -6.448 5.523 1.00 . A A . 50 LYS HE2 1 1 22 26399 1 1 50 LYS HE3 H -4.087 -5.758 6.754 1.00 . A A . 50 LYS HE3 1 1 22 26400 1 1 50 LYS HG2 H -5.588 -4.446 4.351 1.00 . A A . 50 LYS HG2 1 1 22 26401 1 1 50 LYS HG3 H -4.464 -3.488 5.337 1.00 . A A . 50 LYS HG3 1 1 22 26402 1 1 50 LYS HZ1 H -5.724 -6.506 8.401 1.00 . A A . 50 LYS HZ1 1 1 22 26403 1 1 50 LYS HZ2 H -6.635 -7.180 7.203 1.00 . A A . 50 LYS HZ2 1 1 22 26404 1 1 50 LYS HZ3 H -5.133 -7.759 7.508 1.00 . A A . 50 LYS HZ3 1 1 22 26405 1 1 50 LYS N N -5.035 -1.455 3.374 1.00 . A A . 50 LYS N 1 1 22 26406 1 1 50 LYS NZ N -5.698 -6.921 7.481 1.00 . A A . 50 LYS NZ 1 1 22 26407 1 1 50 LYS O O -8.544 -1.612 2.906 1.00 . A A . 50 LYS O 1 1 22 26408 1 1 51 THR C C -8.994 0.954 1.717 1.00 . A A . 51 THR C 1 1 22 26409 1 1 51 THR CA C -8.486 1.103 3.150 1.00 . A A . 51 THR CA 1 1 22 26410 1 1 51 THR CB C -8.197 2.560 3.567 1.00 . A A . 51 THR CB 1 1 22 26411 1 1 51 THR CG2 C -7.784 3.531 2.458 1.00 . A A . 51 THR CG2 1 1 22 26412 1 1 51 THR H H -6.449 0.606 3.629 1.00 . A A . 51 THR H 1 1 22 26413 1 1 51 THR HA H -9.285 0.744 3.795 1.00 . A A . 51 THR HA 1 1 22 26414 1 1 51 THR HB H -7.405 2.555 4.310 1.00 . A A . 51 THR HB 1 1 22 26415 1 1 51 THR HG1 H -9.486 2.567 4.996 1.00 . A A . 51 THR HG1 1 1 22 26416 1 1 51 THR HG21 H -8.593 3.657 1.738 1.00 . A A . 51 THR HG21 1 1 22 26417 1 1 51 THR HG22 H -7.572 4.502 2.907 1.00 . A A . 51 THR HG22 1 1 22 26418 1 1 51 THR HG23 H -6.888 3.186 1.948 1.00 . A A . 51 THR HG23 1 1 22 26419 1 1 51 THR N N -7.347 0.214 3.390 1.00 . A A . 51 THR N 1 1 22 26420 1 1 51 THR O O -10.172 0.694 1.478 1.00 . A A . 51 THR O 1 1 22 26421 1 1 51 THR OG1 O -9.345 3.090 4.188 1.00 . A A . 51 THR OG1 1 1 22 26422 1 1 52 CYS C C -8.734 -0.702 -0.791 1.00 . A A . 52 CYS C 1 1 22 26423 1 1 52 CYS CA C -8.395 0.770 -0.631 1.00 . A A . 52 CYS CA 1 1 22 26424 1 1 52 CYS CB C -7.196 1.055 -1.476 1.00 . A A . 52 CYS CB 1 1 22 26425 1 1 52 CYS H H -7.115 1.220 1.010 1.00 . A A . 52 CYS H 1 1 22 26426 1 1 52 CYS HA H -9.243 1.370 -0.966 1.00 . A A . 52 CYS HA 1 1 22 26427 1 1 52 CYS HB2 H -6.290 0.769 -0.941 1.00 . A A . 52 CYS HB2 1 1 22 26428 1 1 52 CYS HB3 H -7.255 0.450 -2.381 1.00 . A A . 52 CYS HB3 1 1 22 26429 1 1 52 CYS N N -8.079 1.049 0.755 1.00 . A A . 52 CYS N 1 1 22 26430 1 1 52 CYS O O -9.706 -1.068 -1.454 1.00 . A A . 52 CYS O 1 1 22 26431 1 1 52 CYS SG S -7.101 2.788 -1.984 1.00 . A A . 52 CYS SG 1 1 22 26432 1 1 53 HIS C C -9.302 -3.589 -0.065 1.00 . A A . 53 HIS C 1 1 22 26433 1 1 53 HIS CA C -7.976 -2.980 -0.557 1.00 . A A . 53 HIS CA 1 1 22 26434 1 1 53 HIS CB C -6.726 -3.700 -0.056 1.00 . A A . 53 HIS CB 1 1 22 26435 1 1 53 HIS CD2 C -4.969 -2.571 -1.620 1.00 . A A . 53 HIS CD2 1 1 22 26436 1 1 53 HIS CE1 C -3.949 -4.376 -2.296 1.00 . A A . 53 HIS CE1 1 1 22 26437 1 1 53 HIS CG C -5.556 -3.653 -1.008 1.00 . A A . 53 HIS CG 1 1 22 26438 1 1 53 HIS H H -7.068 -1.228 0.259 1.00 . A A . 53 HIS H 1 1 22 26439 1 1 53 HIS HA H -7.971 -3.079 -1.642 1.00 . A A . 53 HIS HA 1 1 22 26440 1 1 53 HIS HB2 H -6.406 -3.298 0.894 1.00 . A A . 53 HIS HB2 1 1 22 26441 1 1 53 HIS HB3 H -6.996 -4.743 0.084 1.00 . A A . 53 HIS HB3 1 1 22 26442 1 1 53 HIS HD1 H -5.034 -5.705 -1.082 1.00 . A A . 53 HIS HD1 1 1 22 26443 1 1 53 HIS HD2 H -5.201 -1.526 -1.502 1.00 . A A . 53 HIS HD2 1 1 22 26444 1 1 53 HIS HE1 H -3.270 -5.045 -2.792 1.00 . A A . 53 HIS HE1 1 1 22 26445 1 1 53 HIS N N -7.880 -1.570 -0.253 1.00 . A A . 53 HIS N 1 1 22 26446 1 1 53 HIS ND1 N -4.890 -4.771 -1.423 1.00 . A A . 53 HIS ND1 1 1 22 26447 1 1 53 HIS NE2 N -3.945 -3.042 -2.447 1.00 . A A . 53 HIS NE2 1 1 22 26448 1 1 53 HIS O O -9.787 -4.546 -0.670 1.00 . A A . 53 HIS O 1 1 22 26449 1 1 54 LYS C C -12.223 -3.068 0.167 1.00 . A A . 54 LYS C 1 1 22 26450 1 1 54 LYS CA C -11.301 -3.285 1.367 1.00 . A A . 54 LYS CA 1 1 22 26451 1 1 54 LYS CB C -11.735 -2.363 2.515 1.00 . A A . 54 LYS CB 1 1 22 26452 1 1 54 LYS CD C -11.333 -1.608 4.854 1.00 . A A . 54 LYS CD 1 1 22 26453 1 1 54 LYS CE C -10.690 -1.858 6.230 1.00 . A A . 54 LYS CE 1 1 22 26454 1 1 54 LYS CG C -11.211 -2.800 3.892 1.00 . A A . 54 LYS CG 1 1 22 26455 1 1 54 LYS H H -9.433 -2.275 1.471 1.00 . A A . 54 LYS H 1 1 22 26456 1 1 54 LYS HA H -11.413 -4.304 1.721 1.00 . A A . 54 LYS HA 1 1 22 26457 1 1 54 LYS HB2 H -11.403 -1.353 2.282 1.00 . A A . 54 LYS HB2 1 1 22 26458 1 1 54 LYS HB3 H -12.825 -2.351 2.567 1.00 . A A . 54 LYS HB3 1 1 22 26459 1 1 54 LYS HD2 H -10.831 -0.765 4.380 1.00 . A A . 54 LYS HD2 1 1 22 26460 1 1 54 LYS HD3 H -12.391 -1.363 4.961 1.00 . A A . 54 LYS HD3 1 1 22 26461 1 1 54 LYS HE2 H -11.269 -2.606 6.773 1.00 . A A . 54 LYS HE2 1 1 22 26462 1 1 54 LYS HE3 H -9.677 -2.236 6.081 1.00 . A A . 54 LYS HE3 1 1 22 26463 1 1 54 LYS HG2 H -11.800 -3.645 4.253 1.00 . A A . 54 LYS HG2 1 1 22 26464 1 1 54 LYS HG3 H -10.172 -3.116 3.810 1.00 . A A . 54 LYS HG3 1 1 22 26465 1 1 54 LYS HZ1 H -10.080 -0.731 7.897 1.00 . A A . 54 LYS HZ1 1 1 22 26466 1 1 54 LYS HZ2 H -10.075 0.097 6.526 1.00 . A A . 54 LYS HZ2 1 1 22 26467 1 1 54 LYS HZ3 H -11.497 -0.218 7.245 1.00 . A A . 54 LYS HZ3 1 1 22 26468 1 1 54 LYS N N -9.911 -3.028 0.989 1.00 . A A . 54 LYS N 1 1 22 26469 1 1 54 LYS NZ N -10.596 -0.615 7.034 1.00 . A A . 54 LYS NZ 1 1 22 26470 1 1 54 LYS O O -12.995 -3.952 -0.191 1.00 . A A . 54 LYS O 1 1 22 26471 1 1 55 SER C C -12.721 -2.450 -2.742 1.00 . A A . 55 SER C 1 1 22 26472 1 1 55 SER CA C -12.964 -1.491 -1.574 1.00 . A A . 55 SER CA 1 1 22 26473 1 1 55 SER CB C -12.655 -0.033 -1.956 1.00 . A A . 55 SER CB 1 1 22 26474 1 1 55 SER H H -11.383 -1.260 -0.172 1.00 . A A . 55 SER H 1 1 22 26475 1 1 55 SER HA H -14.012 -1.555 -1.275 1.00 . A A . 55 SER HA 1 1 22 26476 1 1 55 SER HB2 H -12.607 0.579 -1.052 1.00 . A A . 55 SER HB2 1 1 22 26477 1 1 55 SER HB3 H -11.697 0.028 -2.473 1.00 . A A . 55 SER HB3 1 1 22 26478 1 1 55 SER HG H -13.435 1.390 -3.044 1.00 . A A . 55 SER HG 1 1 22 26479 1 1 55 SER N N -12.138 -1.880 -0.440 1.00 . A A . 55 SER N 1 1 22 26480 1 1 55 SER O O -13.658 -2.892 -3.401 1.00 . A A . 55 SER O 1 1 22 26481 1 1 55 SER OG O -13.665 0.491 -2.792 1.00 . A A . 55 SER OG 1 1 22 26482 1 1 56 ASN C C -11.617 -5.060 -3.920 1.00 . A A . 56 ASN C 1 1 22 26483 1 1 56 ASN CA C -11.071 -3.644 -4.101 1.00 . A A . 56 ASN CA 1 1 22 26484 1 1 56 ASN CB C -9.550 -3.692 -4.290 1.00 . A A . 56 ASN CB 1 1 22 26485 1 1 56 ASN CG C -8.987 -2.412 -4.899 1.00 . A A . 56 ASN CG 1 1 22 26486 1 1 56 ASN H H -10.737 -2.364 -2.396 1.00 . A A . 56 ASN H 1 1 22 26487 1 1 56 ASN HA H -11.506 -3.239 -5.018 1.00 . A A . 56 ASN HA 1 1 22 26488 1 1 56 ASN HB2 H -9.057 -3.922 -3.348 1.00 . A A . 56 ASN HB2 1 1 22 26489 1 1 56 ASN HB3 H -9.323 -4.501 -4.987 1.00 . A A . 56 ASN HB3 1 1 22 26490 1 1 56 ASN HD21 H -9.168 -1.355 -3.155 1.00 . A A . 56 ASN HD21 1 1 22 26491 1 1 56 ASN HD22 H -8.481 -0.501 -4.522 1.00 . A A . 56 ASN HD22 1 1 22 26492 1 1 56 ASN N N -11.449 -2.776 -2.989 1.00 . A A . 56 ASN N 1 1 22 26493 1 1 56 ASN ND2 N -8.860 -1.342 -4.120 1.00 . A A . 56 ASN ND2 1 1 22 26494 1 1 56 ASN O O -12.206 -5.606 -4.848 1.00 . A A . 56 ASN O 1 1 22 26495 1 1 56 ASN OD1 O -8.663 -2.379 -6.080 1.00 . A A . 56 ASN OD1 1 1 22 26496 1 1 57 ASN C C -11.977 -7.458 -1.106 1.00 . A A . 57 ASN C 1 1 22 26497 1 1 57 ASN CA C -11.650 -7.111 -2.561 1.00 . A A . 57 ASN CA 1 1 22 26498 1 1 57 ASN CB C -10.461 -7.971 -3.023 1.00 . A A . 57 ASN CB 1 1 22 26499 1 1 57 ASN CG C -10.425 -8.192 -4.533 1.00 . A A . 57 ASN CG 1 1 22 26500 1 1 57 ASN H H -10.907 -5.162 -2.026 1.00 . A A . 57 ASN H 1 1 22 26501 1 1 57 ASN HA H -12.531 -7.395 -3.141 1.00 . A A . 57 ASN HA 1 1 22 26502 1 1 57 ASN HB2 H -9.527 -7.526 -2.673 1.00 . A A . 57 ASN HB2 1 1 22 26503 1 1 57 ASN HB3 H -10.552 -8.961 -2.575 1.00 . A A . 57 ASN HB3 1 1 22 26504 1 1 57 ASN HD21 H -8.537 -7.421 -4.706 1.00 . A A . 57 ASN HD21 1 1 22 26505 1 1 57 ASN HD22 H -9.292 -7.979 -6.184 1.00 . A A . 57 ASN HD22 1 1 22 26506 1 1 57 ASN N N -11.364 -5.687 -2.763 1.00 . A A . 57 ASN N 1 1 22 26507 1 1 57 ASN ND2 N -9.324 -7.826 -5.187 1.00 . A A . 57 ASN ND2 1 1 22 26508 1 1 57 ASN O O -12.844 -8.292 -0.858 1.00 . A A . 57 ASN O 1 1 22 26509 1 1 57 ASN OD1 O -11.364 -8.728 -5.109 1.00 . A A . 57 ASN OD1 1 1 22 26510 1 1 58 GLY C C -10.450 -8.465 1.610 1.00 . A A . 58 GLY C 1 1 22 26511 1 1 58 GLY CA C -11.350 -7.274 1.260 1.00 . A A . 58 GLY CA 1 1 22 26512 1 1 58 GLY H H -10.585 -6.166 -0.395 1.00 . A A . 58 GLY H 1 1 22 26513 1 1 58 GLY HA2 H -11.057 -6.439 1.891 1.00 . A A . 58 GLY HA2 1 1 22 26514 1 1 58 GLY HA3 H -12.386 -7.520 1.505 1.00 . A A . 58 GLY HA3 1 1 22 26515 1 1 58 GLY N N -11.246 -6.891 -0.142 1.00 . A A . 58 GLY N 1 1 22 26516 1 1 58 GLY O O -10.949 -9.511 2.026 1.00 . A A . 58 GLY O 1 1 22 26517 1 1 59 PRO C C -8.174 -9.476 3.442 1.00 . A A . 59 PRO C 1 1 22 26518 1 1 59 PRO CA C -8.174 -9.345 1.913 1.00 . A A . 59 PRO CA 1 1 22 26519 1 1 59 PRO CB C -6.817 -8.895 1.366 1.00 . A A . 59 PRO CB 1 1 22 26520 1 1 59 PRO CD C -8.418 -7.158 0.971 1.00 . A A . 59 PRO CD 1 1 22 26521 1 1 59 PRO CG C -6.944 -7.372 1.319 1.00 . A A . 59 PRO CG 1 1 22 26522 1 1 59 PRO HA H -8.431 -10.305 1.461 1.00 . A A . 59 PRO HA 1 1 22 26523 1 1 59 PRO HB2 H -5.981 -9.231 1.981 1.00 . A A . 59 PRO HB2 1 1 22 26524 1 1 59 PRO HB3 H -6.703 -9.273 0.348 1.00 . A A . 59 PRO HB3 1 1 22 26525 1 1 59 PRO HD2 H -8.777 -6.226 1.410 1.00 . A A . 59 PRO HD2 1 1 22 26526 1 1 59 PRO HD3 H -8.531 -7.134 -0.114 1.00 . A A . 59 PRO HD3 1 1 22 26527 1 1 59 PRO HG2 H -6.739 -6.959 2.308 1.00 . A A . 59 PRO HG2 1 1 22 26528 1 1 59 PRO HG3 H -6.270 -6.938 0.582 1.00 . A A . 59 PRO HG3 1 1 22 26529 1 1 59 PRO N N -9.119 -8.320 1.496 1.00 . A A . 59 PRO N 1 1 22 26530 1 1 59 PRO O O -7.549 -8.686 4.151 1.00 . A A . 59 PRO O 1 1 22 26531 1 1 60 THR C C -7.887 -11.778 5.739 1.00 . A A . 60 THR C 1 1 22 26532 1 1 60 THR CA C -8.993 -10.793 5.362 1.00 . A A . 60 THR CA 1 1 22 26533 1 1 60 THR CB C -10.380 -11.392 5.631 1.00 . A A . 60 THR CB 1 1 22 26534 1 1 60 THR CG2 C -11.471 -10.319 5.562 1.00 . A A . 60 THR CG2 1 1 22 26535 1 1 60 THR H H -9.379 -11.096 3.314 1.00 . A A . 60 THR H 1 1 22 26536 1 1 60 THR HA H -8.875 -9.891 5.965 1.00 . A A . 60 THR HA 1 1 22 26537 1 1 60 THR HB H -10.389 -11.826 6.634 1.00 . A A . 60 THR HB 1 1 22 26538 1 1 60 THR HG1 H -11.189 -12.023 3.971 1.00 . A A . 60 THR HG1 1 1 22 26539 1 1 60 THR HG21 H -12.443 -10.769 5.763 1.00 . A A . 60 THR HG21 1 1 22 26540 1 1 60 THR HG22 H -11.280 -9.548 6.309 1.00 . A A . 60 THR HG22 1 1 22 26541 1 1 60 THR HG23 H -11.493 -9.855 4.576 1.00 . A A . 60 THR HG23 1 1 22 26542 1 1 60 THR N N -8.886 -10.486 3.948 1.00 . A A . 60 THR N 1 1 22 26543 1 1 60 THR O O -7.016 -11.467 6.550 1.00 . A A . 60 THR O 1 1 22 26544 1 1 60 THR OG1 O -10.657 -12.405 4.678 1.00 . A A . 60 THR OG1 1 1 22 26545 1 1 61 LYS C C -5.630 -13.892 4.848 1.00 . A A . 61 LYS C 1 1 22 26546 1 1 61 LYS CA C -7.050 -14.099 5.406 1.00 . A A . 61 LYS CA 1 1 22 26547 1 1 61 LYS CB C -7.691 -15.381 4.842 1.00 . A A . 61 LYS CB 1 1 22 26548 1 1 61 LYS CD C -8.800 -16.394 6.892 1.00 . A A . 61 LYS CD 1 1 22 26549 1 1 61 LYS CE C -10.076 -17.031 7.463 1.00 . A A . 61 LYS CE 1 1 22 26550 1 1 61 LYS CG C -9.022 -15.771 5.503 1.00 . A A . 61 LYS CG 1 1 22 26551 1 1 61 LYS H H -8.717 -13.111 4.510 1.00 . A A . 61 LYS H 1 1 22 26552 1 1 61 LYS HA H -6.946 -14.211 6.486 1.00 . A A . 61 LYS HA 1 1 22 26553 1 1 61 LYS HB2 H -7.863 -15.232 3.775 1.00 . A A . 61 LYS HB2 1 1 22 26554 1 1 61 LYS HB3 H -6.999 -16.218 4.950 1.00 . A A . 61 LYS HB3 1 1 22 26555 1 1 61 LYS HD2 H -8.055 -17.190 6.796 1.00 . A A . 61 LYS HD2 1 1 22 26556 1 1 61 LYS HD3 H -8.404 -15.651 7.584 1.00 . A A . 61 LYS HD3 1 1 22 26557 1 1 61 LYS HE2 H -10.453 -17.780 6.762 1.00 . A A . 61 LYS HE2 1 1 22 26558 1 1 61 LYS HE3 H -9.823 -17.542 8.395 1.00 . A A . 61 LYS HE3 1 1 22 26559 1 1 61 LYS HG2 H -9.678 -14.901 5.553 1.00 . A A . 61 LYS HG2 1 1 22 26560 1 1 61 LYS HG3 H -9.488 -16.518 4.857 1.00 . A A . 61 LYS HG3 1 1 22 26561 1 1 61 LYS HZ1 H -11.402 -15.566 6.885 1.00 . A A . 61 LYS HZ1 1 1 22 26562 1 1 61 LYS HZ2 H -11.948 -16.504 8.118 1.00 . A A . 61 LYS HZ2 1 1 22 26563 1 1 61 LYS HZ3 H -10.808 -15.357 8.408 1.00 . A A . 61 LYS HZ3 1 1 22 26564 1 1 61 LYS N N -7.933 -12.968 5.136 1.00 . A A . 61 LYS N 1 1 22 26565 1 1 61 LYS NZ N -11.135 -16.038 7.737 1.00 . A A . 61 LYS NZ 1 1 22 26566 1 1 61 LYS O O -5.087 -14.776 4.191 1.00 . A A . 61 LYS O 1 1 22 26567 1 1 62 CYS C C -3.231 -12.613 3.490 1.00 . A A . 62 CYS C 1 1 22 26568 1 1 62 CYS CA C -3.581 -12.511 4.983 1.00 . A A . 62 CYS CA 1 1 22 26569 1 1 62 CYS CB C -2.807 -13.454 5.873 1.00 . A A . 62 CYS CB 1 1 22 26570 1 1 62 CYS H H -5.524 -12.069 5.697 1.00 . A A . 62 CYS H 1 1 22 26571 1 1 62 CYS HA H -3.413 -11.492 5.311 1.00 . A A . 62 CYS HA 1 1 22 26572 1 1 62 CYS HB2 H -3.424 -13.695 6.727 1.00 . A A . 62 CYS HB2 1 1 22 26573 1 1 62 CYS HB3 H -2.609 -14.364 5.319 1.00 . A A . 62 CYS HB3 1 1 22 26574 1 1 62 CYS N N -5.001 -12.761 5.181 1.00 . A A . 62 CYS N 1 1 22 26575 1 1 62 CYS O O -4.013 -12.144 2.668 1.00 . A A . 62 CYS O 1 1 22 26576 1 1 62 CYS SG S -1.235 -12.805 6.501 1.00 . A A . 62 CYS SG 1 1 22 26577 1 1 63 GLY C C -2.065 -12.668 0.737 1.00 . A A . 63 GLY C 1 1 22 26578 1 1 63 GLY CA C -1.704 -13.667 1.826 1.00 . A A . 63 GLY CA 1 1 22 26579 1 1 63 GLY H H -1.457 -13.474 3.908 1.00 . A A . 63 GLY H 1 1 22 26580 1 1 63 GLY HA2 H -0.621 -13.813 1.805 1.00 . A A . 63 GLY HA2 1 1 22 26581 1 1 63 GLY HA3 H -2.199 -14.618 1.632 1.00 . A A . 63 GLY HA3 1 1 22 26582 1 1 63 GLY N N -2.070 -13.196 3.157 1.00 . A A . 63 GLY N 1 1 22 26583 1 1 63 GLY O O -2.895 -12.939 -0.128 1.00 . A A . 63 GLY O 1 1 22 26584 1 1 64 GLY C C -0.430 -9.622 -0.362 1.00 . A A . 64 GLY C 1 1 22 26585 1 1 64 GLY CA C -1.714 -10.375 -0.052 1.00 . A A . 64 GLY CA 1 1 22 26586 1 1 64 GLY H H -0.719 -11.406 1.521 1.00 . A A . 64 GLY H 1 1 22 26587 1 1 64 GLY HA2 H -2.194 -10.683 -0.981 1.00 . A A . 64 GLY HA2 1 1 22 26588 1 1 64 GLY HA3 H -2.386 -9.719 0.506 1.00 . A A . 64 GLY HA3 1 1 22 26589 1 1 64 GLY N N -1.424 -11.504 0.809 1.00 . A A . 64 GLY N 1 1 22 26590 1 1 64 GLY O O -0.038 -9.469 -1.514 1.00 . A A . 64 GLY O 1 1 22 26591 1 1 65 CYS C C 2.551 -8.602 1.034 1.00 . A A . 65 CYS C 1 1 22 26592 1 1 65 CYS CA C 1.186 -8.059 0.617 1.00 . A A . 65 CYS CA 1 1 22 26593 1 1 65 CYS CB C 0.699 -6.920 1.478 1.00 . A A . 65 CYS CB 1 1 22 26594 1 1 65 CYS H H -0.244 -9.255 1.595 1.00 . A A . 65 CYS H 1 1 22 26595 1 1 65 CYS HA H 1.270 -7.694 -0.407 1.00 . A A . 65 CYS HA 1 1 22 26596 1 1 65 CYS HB2 H 0.867 -7.197 2.516 1.00 . A A . 65 CYS HB2 1 1 22 26597 1 1 65 CYS HB3 H 1.260 -6.012 1.262 1.00 . A A . 65 CYS HB3 1 1 22 26598 1 1 65 CYS N N 0.197 -9.122 0.701 1.00 . A A . 65 CYS N 1 1 22 26599 1 1 65 CYS O O 3.530 -8.448 0.302 1.00 . A A . 65 CYS O 1 1 22 26600 1 1 65 CYS SG S -1.085 -6.658 1.148 1.00 . A A . 65 CYS SG 1 1 22 26601 1 1 66 HIS C C 3.826 -11.260 1.670 1.00 . A A . 66 HIS C 1 1 22 26602 1 1 66 HIS CA C 3.768 -10.052 2.589 1.00 . A A . 66 HIS CA 1 1 22 26603 1 1 66 HIS CB C 3.647 -10.557 4.035 1.00 . A A . 66 HIS CB 1 1 22 26604 1 1 66 HIS CD2 C 2.303 -9.162 5.664 1.00 . A A . 66 HIS CD2 1 1 22 26605 1 1 66 HIS CE1 C 3.820 -7.748 6.336 1.00 . A A . 66 HIS CE1 1 1 22 26606 1 1 66 HIS CG C 3.477 -9.482 5.056 1.00 . A A . 66 HIS CG 1 1 22 26607 1 1 66 HIS H H 1.751 -9.418 2.705 1.00 . A A . 66 HIS H 1 1 22 26608 1 1 66 HIS HA H 4.670 -9.445 2.497 1.00 . A A . 66 HIS HA 1 1 22 26609 1 1 66 HIS HB2 H 2.802 -11.242 4.110 1.00 . A A . 66 HIS HB2 1 1 22 26610 1 1 66 HIS HB3 H 4.537 -11.128 4.295 1.00 . A A . 66 HIS HB3 1 1 22 26611 1 1 66 HIS HD1 H 5.401 -8.544 5.174 1.00 . A A . 66 HIS HD1 1 1 22 26612 1 1 66 HIS HD2 H 1.352 -9.637 5.542 1.00 . A A . 66 HIS HD2 1 1 22 26613 1 1 66 HIS HE1 H 4.276 -6.899 6.814 1.00 . A A . 66 HIS HE1 1 1 22 26614 1 1 66 HIS N N 2.605 -9.276 2.191 1.00 . A A . 66 HIS N 1 1 22 26615 1 1 66 HIS ND1 N 4.438 -8.606 5.499 1.00 . A A . 66 HIS ND1 1 1 22 26616 1 1 66 HIS NE2 N 2.519 -8.051 6.460 1.00 . A A . 66 HIS NE2 1 1 22 26617 1 1 66 HIS O O 2.961 -12.128 1.774 1.00 . A A . 66 HIS O 1 1 22 26618 1 1 67 ILE C C 5.488 -13.669 0.859 1.00 . A A . 67 ILE C 1 1 22 26619 1 1 67 ILE CA C 4.997 -12.518 -0.027 1.00 . A A . 67 ILE CA 1 1 22 26620 1 1 67 ILE CB C 5.926 -12.206 -1.213 1.00 . A A . 67 ILE CB 1 1 22 26621 1 1 67 ILE CD1 C 4.008 -11.079 -2.558 1.00 . A A . 67 ILE CD1 1 1 22 26622 1 1 67 ILE CG1 C 5.439 -10.981 -2.014 1.00 . A A . 67 ILE CG1 1 1 22 26623 1 1 67 ILE CG2 C 6.068 -13.427 -2.134 1.00 . A A . 67 ILE CG2 1 1 22 26624 1 1 67 ILE H H 5.479 -10.562 0.714 1.00 . A A . 67 ILE H 1 1 22 26625 1 1 67 ILE HA H 4.029 -12.810 -0.440 1.00 . A A . 67 ILE HA 1 1 22 26626 1 1 67 ILE HB H 6.918 -11.964 -0.827 1.00 . A A . 67 ILE HB 1 1 22 26627 1 1 67 ILE HD11 H 3.796 -10.191 -3.155 1.00 . A A . 67 ILE HD11 1 1 22 26628 1 1 67 ILE HD12 H 3.893 -11.957 -3.192 1.00 . A A . 67 ILE HD12 1 1 22 26629 1 1 67 ILE HD13 H 3.287 -11.117 -1.741 1.00 . A A . 67 ILE HD13 1 1 22 26630 1 1 67 ILE HG12 H 5.484 -10.101 -1.374 1.00 . A A . 67 ILE HG12 1 1 22 26631 1 1 67 ILE HG13 H 6.118 -10.820 -2.852 1.00 . A A . 67 ILE HG13 1 1 22 26632 1 1 67 ILE HG21 H 6.569 -14.238 -1.607 1.00 . A A . 67 ILE HG21 1 1 22 26633 1 1 67 ILE HG22 H 5.090 -13.776 -2.464 1.00 . A A . 67 ILE HG22 1 1 22 26634 1 1 67 ILE HG23 H 6.667 -13.163 -3.007 1.00 . A A . 67 ILE HG23 1 1 22 26635 1 1 67 ILE N N 4.829 -11.336 0.803 1.00 . A A . 67 ILE N 1 1 22 26636 1 1 67 ILE O O 6.680 -13.767 1.154 1.00 . A A . 67 ILE O 1 1 22 26637 1 1 68 LYS C C 3.650 -16.704 1.519 1.00 . A A . 68 LYS C 1 1 22 26638 1 1 68 LYS CA C 4.852 -15.829 1.870 1.00 . A A . 68 LYS CA 1 1 22 26639 1 1 68 LYS CB C 5.035 -15.729 3.392 1.00 . A A . 68 LYS CB 1 1 22 26640 1 1 68 LYS CD C 7.347 -16.837 3.697 1.00 . A A . 68 LYS CD 1 1 22 26641 1 1 68 LYS CE C 7.999 -15.576 4.286 1.00 . A A . 68 LYS CE 1 1 22 26642 1 1 68 LYS CG C 5.827 -16.929 3.941 1.00 . A A . 68 LYS CG 1 1 22 26643 1 1 68 LYS H H 3.575 -14.416 1.087 1.00 . A A . 68 LYS H 1 1 22 26644 1 1 68 LYS HA H 5.740 -16.240 1.391 1.00 . A A . 68 LYS HA 1 1 22 26645 1 1 68 LYS HB2 H 5.518 -14.790 3.657 1.00 . A A . 68 LYS HB2 1 1 22 26646 1 1 68 LYS HB3 H 4.045 -15.724 3.850 1.00 . A A . 68 LYS HB3 1 1 22 26647 1 1 68 LYS HD2 H 7.817 -17.725 4.125 1.00 . A A . 68 LYS HD2 1 1 22 26648 1 1 68 LYS HD3 H 7.542 -16.854 2.623 1.00 . A A . 68 LYS HD3 1 1 22 26649 1 1 68 LYS HE2 H 9.086 -15.660 4.214 1.00 . A A . 68 LYS HE2 1 1 22 26650 1 1 68 LYS HE3 H 7.701 -14.706 3.698 1.00 . A A . 68 LYS HE3 1 1 22 26651 1 1 68 LYS HG2 H 5.611 -17.046 5.002 1.00 . A A . 68 LYS HG2 1 1 22 26652 1 1 68 LYS HG3 H 5.458 -17.834 3.455 1.00 . A A . 68 LYS HG3 1 1 22 26653 1 1 68 LYS HZ1 H 6.608 -15.413 5.778 1.00 . A A . 68 LYS HZ1 1 1 22 26654 1 1 68 LYS HZ2 H 8.040 -16.046 6.308 1.00 . A A . 68 LYS HZ2 1 1 22 26655 1 1 68 LYS HZ3 H 7.835 -14.426 6.008 1.00 . A A . 68 LYS HZ3 1 1 22 26656 1 1 68 LYS N N 4.568 -14.528 1.301 1.00 . A A . 68 LYS N 1 1 22 26657 1 1 68 LYS NZ N 7.613 -15.369 5.695 1.00 . A A . 68 LYS NZ 1 1 22 26658 1 1 68 LYS O O 2.618 -16.097 1.147 1.00 . A A . 68 LYS O 1 1 22 26659 1 1 68 LYS OXT O 3.783 -17.940 1.638 1.00 . A A . 68 LYS OXT 1 1 22 26660 2 2 1 HEC C1A C 7.631 8.164 -3.398 1.00 . B A . 69 HEC C1A 1 1 22 26661 2 2 1 HEC C1B C 5.359 8.871 -6.938 1.00 . B A . 69 HEC C1B 1 1 22 26662 2 2 1 HEC C1C C 2.223 6.385 -5.435 1.00 . B A . 69 HEC C1C 1 1 22 26663 2 2 1 HEC C1D C 4.444 5.819 -1.817 1.00 . B A . 69 HEC C1D 1 1 22 26664 2 2 1 HEC C2A C 8.718 9.057 -3.731 1.00 . B A . 69 HEC C2A 1 1 22 26665 2 2 1 HEC C2B C 4.729 9.214 -8.186 1.00 . B A . 69 HEC C2B 1 1 22 26666 2 2 1 HEC C2C C 1.016 5.724 -4.997 1.00 . B A . 69 HEC C2C 1 1 22 26667 2 2 1 HEC C2D C 5.102 5.478 -0.575 1.00 . B A . 69 HEC C2D 1 1 22 26668 2 2 1 HEC C3A C 8.431 9.591 -4.957 1.00 . B A . 69 HEC C3A 1 1 22 26669 2 2 1 HEC C3B C 3.514 8.570 -8.215 1.00 . B A . 69 HEC C3B 1 1 22 26670 2 2 1 HEC C3C C 1.226 5.310 -3.699 1.00 . B A . 69 HEC C3C 1 1 22 26671 2 2 1 HEC C3D C 6.383 5.976 -0.646 1.00 . B A . 69 HEC C3D 1 1 22 26672 2 2 1 HEC C4A C 7.148 9.067 -5.355 1.00 . B A . 69 HEC C4A 1 1 22 26673 2 2 1 HEC C4B C 3.478 7.688 -7.061 1.00 . B A . 69 HEC C4B 1 1 22 26674 2 2 1 HEC C4C C 2.579 5.696 -3.348 1.00 . B A . 69 HEC C4C 1 1 22 26675 2 2 1 HEC C4D C 6.457 6.742 -1.867 1.00 . B A . 69 HEC C4D 1 1 22 26676 2 2 1 HEC CAA C 9.922 9.404 -2.882 1.00 . B A . 69 HEC CAA 1 1 22 26677 2 2 1 HEC CAB C 2.294 9.051 -8.978 1.00 . B A . 69 HEC CAB 1 1 22 26678 2 2 1 HEC CAC C 0.187 4.723 -2.753 1.00 . B A . 69 HEC CAC 1 1 22 26679 2 2 1 HEC CAD C 7.572 5.654 0.244 1.00 . B A . 69 HEC CAD 1 1 22 26680 2 2 1 HEC CBA C 11.109 8.464 -3.121 1.00 . B A . 69 HEC CBA 1 1 22 26681 2 2 1 HEC CBB C 2.518 9.405 -10.455 1.00 . B A . 69 HEC CBB 1 1 22 26682 2 2 1 HEC CBC C -0.187 3.267 -3.056 1.00 . B A . 69 HEC CBC 1 1 22 26683 2 2 1 HEC CBD C 7.502 4.308 0.969 1.00 . B A . 69 HEC CBD 1 1 22 26684 2 2 1 HEC CGA C 10.760 7.042 -2.683 1.00 . B A . 69 HEC CGA 1 1 22 26685 2 2 1 HEC CGD C 8.887 3.745 1.293 1.00 . B A . 69 HEC CGD 1 1 22 26686 2 2 1 HEC CHA C 7.557 7.469 -2.223 1.00 . B A . 69 HEC CHA 1 1 22 26687 2 2 1 HEC CHB C 6.539 9.426 -6.519 1.00 . B A . 69 HEC CHB 1 1 22 26688 2 2 1 HEC CHC C 2.362 6.960 -6.684 1.00 . B A . 69 HEC CHC 1 1 22 26689 2 2 1 HEC CHD C 3.170 5.414 -2.127 1.00 . B A . 69 HEC CHD 1 1 22 26690 2 2 1 HEC CMA C 9.300 10.550 -5.739 1.00 . B A . 69 HEC CMA 1 1 22 26691 2 2 1 HEC CMB C 5.255 10.186 -9.221 1.00 . B A . 69 HEC CMB 1 1 22 26692 2 2 1 HEC CMC C -0.271 5.635 -5.796 1.00 . B A . 69 HEC CMC 1 1 22 26693 2 2 1 HEC CMD C 4.482 4.713 0.571 1.00 . B A . 69 HEC CMD 1 1 22 26694 2 2 1 HEC FE FE 4.926 7.231 -4.442 1.00 . B A . 69 HEC FE 1 1 22 26695 2 2 1 HEC HAA1 H 10.235 10.426 -3.089 1.00 . B A . 69 HEC HAA1 1 1 22 26696 2 2 1 HEC HAA2 H 9.650 9.350 -1.832 1.00 . B A . 69 HEC HAA2 1 1 22 26697 2 2 1 HEC HAB H 1.531 8.281 -8.963 1.00 . B A . 69 HEC HAB 1 1 22 26698 2 2 1 HEC HAC H 0.568 4.731 -1.735 1.00 . B A . 69 HEC HAC 1 1 22 26699 2 2 1 HEC HAD1 H 8.444 5.568 -0.409 1.00 . B A . 69 HEC HAD1 1 1 22 26700 2 2 1 HEC HAD2 H 7.776 6.444 0.961 1.00 . B A . 69 HEC HAD2 1 1 22 26701 2 2 1 HEC HBA1 H 11.377 8.480 -4.179 1.00 . B A . 69 HEC HBA1 1 1 22 26702 2 2 1 HEC HBA2 H 11.961 8.825 -2.543 1.00 . B A . 69 HEC HBA2 1 1 22 26703 2 2 1 HEC HBB1 H 3.162 8.664 -10.930 1.00 . B A . 69 HEC HBB1 1 1 22 26704 2 2 1 HEC HBB2 H 1.567 9.405 -10.986 1.00 . B A . 69 HEC HBB2 1 1 22 26705 2 2 1 HEC HBB3 H 2.953 10.398 -10.558 1.00 . B A . 69 HEC HBB3 1 1 22 26706 2 2 1 HEC HBC1 H -0.807 3.200 -3.945 1.00 . B A . 69 HEC HBC1 1 1 22 26707 2 2 1 HEC HBC2 H 0.714 2.670 -3.204 1.00 . B A . 69 HEC HBC2 1 1 22 26708 2 2 1 HEC HBC3 H -0.742 2.847 -2.218 1.00 . B A . 69 HEC HBC3 1 1 22 26709 2 2 1 HEC HBD1 H 6.951 4.418 1.898 1.00 . B A . 69 HEC HBD1 1 1 22 26710 2 2 1 HEC HBD2 H 6.970 3.613 0.327 1.00 . B A . 69 HEC HBD2 1 1 22 26711 2 2 1 HEC HHA H 8.410 7.470 -1.571 1.00 . B A . 69 HEC HHA 1 1 22 26712 2 2 1 HEC HHB H 6.979 10.235 -7.067 1.00 . B A . 69 HEC HHB 1 1 22 26713 2 2 1 HEC HHC H 1.511 6.920 -7.336 1.00 . B A . 69 HEC HHC 1 1 22 26714 2 2 1 HEC HHD H 2.638 4.833 -1.393 1.00 . B A . 69 HEC HHD 1 1 22 26715 2 2 1 HEC HMA1 H 10.330 10.491 -5.388 1.00 . B A . 69 HEC HMA1 1 1 22 26716 2 2 1 HEC HMA2 H 9.292 10.287 -6.796 1.00 . B A . 69 HEC HMA2 1 1 22 26717 2 2 1 HEC HMA3 H 8.935 11.569 -5.607 1.00 . B A . 69 HEC HMA3 1 1 22 26718 2 2 1 HEC HMB1 H 4.703 11.123 -9.136 1.00 . B A . 69 HEC HMB1 1 1 22 26719 2 2 1 HEC HMB2 H 6.316 10.386 -9.099 1.00 . B A . 69 HEC HMB2 1 1 22 26720 2 2 1 HEC HMB3 H 5.126 9.767 -10.217 1.00 . B A . 69 HEC HMB3 1 1 22 26721 2 2 1 HEC HMC1 H -0.692 6.635 -5.906 1.00 . B A . 69 HEC HMC1 1 1 22 26722 2 2 1 HEC HMC2 H -0.066 5.220 -6.780 1.00 . B A . 69 HEC HMC2 1 1 22 26723 2 2 1 HEC HMC3 H -1.013 5.009 -5.309 1.00 . B A . 69 HEC HMC3 1 1 22 26724 2 2 1 HEC HMD1 H 4.927 5.009 1.516 1.00 . B A . 69 HEC HMD1 1 1 22 26725 2 2 1 HEC HMD2 H 3.417 4.921 0.632 1.00 . B A . 69 HEC HMD2 1 1 22 26726 2 2 1 HEC HMD3 H 4.627 3.647 0.418 1.00 . B A . 69 HEC HMD3 1 1 22 26727 2 2 1 HEC NA N 6.708 8.207 -4.412 1.00 . B A . 69 HEC NA 1 1 22 26728 2 2 1 HEC NB N 4.622 7.900 -6.332 1.00 . B A . 69 HEC NB 1 1 22 26729 2 2 1 HEC NC N 3.123 6.360 -4.417 1.00 . B A . 69 HEC NC 1 1 22 26730 2 2 1 HEC ND N 5.291 6.590 -2.547 1.00 . B A . 69 HEC ND 1 1 22 26731 2 2 1 HEC O1A O 10.295 6.272 -3.550 1.00 . B A . 69 HEC O1A 1 1 22 26732 2 2 1 HEC O1D O 9.641 4.466 1.987 1.00 . B A . 69 HEC O1D 1 1 22 26733 2 2 1 HEC O2A O 10.845 6.801 -1.457 1.00 . B A . 69 HEC O2A 1 1 22 26734 2 2 1 HEC O2D O 9.183 2.618 0.846 1.00 . B A . 69 HEC O2D 1 1 22 26735 3 2 1 HEC C1A C -1.965 -4.464 -5.184 1.00 . C A . 70 HEC C1A 1 1 22 26736 3 2 1 HEC C1B C -0.559 -2.740 -1.554 1.00 . C A . 70 HEC C1B 1 1 22 26737 3 2 1 HEC C1C C -3.173 0.577 -2.103 1.00 . C A . 70 HEC C1C 1 1 22 26738 3 2 1 HEC C1D C -4.877 -1.345 -5.475 1.00 . C A . 70 HEC C1D 1 1 22 26739 3 2 1 HEC C2A C -1.120 -5.637 -5.141 1.00 . C A . 70 HEC C2A 1 1 22 26740 3 2 1 HEC C2B C 0.072 -2.242 -0.358 1.00 . C A . 70 HEC C2B 1 1 22 26741 3 2 1 HEC C2C C -4.001 1.753 -2.127 1.00 . C A . 70 HEC C2C 1 1 22 26742 3 2 1 HEC C2D C -5.409 -1.730 -6.755 1.00 . C A . 70 HEC C2D 1 1 22 26743 3 2 1 HEC C3A C -0.427 -5.594 -3.956 1.00 . C A . 70 HEC C3A 1 1 22 26744 3 2 1 HEC C3B C -0.411 -0.974 -0.142 1.00 . C A . 70 HEC C3B 1 1 22 26745 3 2 1 HEC C3C C -4.934 1.562 -3.117 1.00 . C A . 70 HEC C3C 1 1 22 26746 3 2 1 HEC C3D C -4.764 -2.881 -7.135 1.00 . C A . 70 HEC C3D 1 1 22 26747 3 2 1 HEC C4A C -0.767 -4.351 -3.308 1.00 . C A . 70 HEC C4A 1 1 22 26748 3 2 1 HEC C4B C -1.393 -0.721 -1.172 1.00 . C A . 70 HEC C4B 1 1 22 26749 3 2 1 HEC C4C C -4.645 0.277 -3.719 1.00 . C A . 70 HEC C4C 1 1 22 26750 3 2 1 HEC C4D C -3.777 -3.169 -6.115 1.00 . C A . 70 HEC C4D 1 1 22 26751 3 2 1 HEC CAA C -1.099 -6.778 -6.133 1.00 . C A . 70 HEC CAA 1 1 22 26752 3 2 1 HEC CAB C -0.061 -0.073 1.029 1.00 . C A . 70 HEC CAB 1 1 22 26753 3 2 1 HEC CAC C -6.090 2.485 -3.459 1.00 . C A . 70 HEC CAC 1 1 22 26754 3 2 1 HEC CAD C -4.992 -3.610 -8.444 1.00 . C A . 70 HEC CAD 1 1 22 26755 3 2 1 HEC CBA C -2.126 -7.871 -5.814 1.00 . C A . 70 HEC CBA 1 1 22 26756 3 2 1 HEC CBB C 1.421 0.343 1.049 1.00 . C A . 70 HEC CBB 1 1 22 26757 3 2 1 HEC CBC C -5.647 3.771 -4.146 1.00 . C A . 70 HEC CBC 1 1 22 26758 3 2 1 HEC CBD C -6.314 -4.390 -8.498 1.00 . C A . 70 HEC CBD 1 1 22 26759 3 2 1 HEC CGA C -2.059 -9.032 -6.812 1.00 . C A . 70 HEC CGA 1 1 22 26760 3 2 1 HEC CGD C -6.680 -4.796 -9.931 1.00 . C A . 70 HEC CGD 1 1 22 26761 3 2 1 HEC CHA C -2.900 -4.232 -6.166 1.00 . C A . 70 HEC CHA 1 1 22 26762 3 2 1 HEC CHB C -0.255 -3.964 -2.095 1.00 . C A . 70 HEC CHB 1 1 22 26763 3 2 1 HEC CHC C -2.144 0.426 -1.226 1.00 . C A . 70 HEC CHC 1 1 22 26764 3 2 1 HEC CHD C -5.287 -0.206 -4.831 1.00 . C A . 70 HEC CHD 1 1 22 26765 3 2 1 HEC CMA C 0.459 -6.677 -3.389 1.00 . C A . 70 HEC CMA 1 1 22 26766 3 2 1 HEC CMB C 1.048 -2.999 0.512 1.00 . C A . 70 HEC CMB 1 1 22 26767 3 2 1 HEC CMC C -3.846 2.955 -1.220 1.00 . C A . 70 HEC CMC 1 1 22 26768 3 2 1 HEC CMD C -6.336 -0.882 -7.599 1.00 . C A . 70 HEC CMD 1 1 22 26769 3 2 1 HEC FE FE -2.665 -2.002 -3.559 1.00 . C A . 70 HEC FE 1 1 22 26770 3 2 1 HEC HAA1 H -1.287 -6.407 -7.140 1.00 . C A . 70 HEC HAA1 1 1 22 26771 3 2 1 HEC HAA2 H -0.109 -7.234 -6.152 1.00 . C A . 70 HEC HAA2 1 1 22 26772 3 2 1 HEC HAB H -0.629 0.851 1.000 1.00 . C A . 70 HEC HAB 1 1 22 26773 3 2 1 HEC HAC H -6.767 1.993 -4.151 1.00 . C A . 70 HEC HAC 1 1 22 26774 3 2 1 HEC HAD1 H -5.006 -2.857 -9.226 1.00 . C A . 70 HEC HAD1 1 1 22 26775 3 2 1 HEC HAD2 H -4.180 -4.294 -8.674 1.00 . C A . 70 HEC HAD2 1 1 22 26776 3 2 1 HEC HBA1 H -1.939 -8.243 -4.805 1.00 . C A . 70 HEC HBA1 1 1 22 26777 3 2 1 HEC HBA2 H -3.126 -7.434 -5.839 1.00 . C A . 70 HEC HBA2 1 1 22 26778 3 2 1 HEC HBB1 H 2.005 -0.211 0.315 1.00 . C A . 70 HEC HBB1 1 1 22 26779 3 2 1 HEC HBB2 H 1.515 1.402 0.806 1.00 . C A . 70 HEC HBB2 1 1 22 26780 3 2 1 HEC HBB3 H 1.859 0.177 2.032 1.00 . C A . 70 HEC HBB3 1 1 22 26781 3 2 1 HEC HBC1 H -4.981 4.354 -3.513 1.00 . C A . 70 HEC HBC1 1 1 22 26782 3 2 1 HEC HBC2 H -5.118 3.477 -5.052 1.00 . C A . 70 HEC HBC2 1 1 22 26783 3 2 1 HEC HBC3 H -6.517 4.373 -4.409 1.00 . C A . 70 HEC HBC3 1 1 22 26784 3 2 1 HEC HBD1 H -6.226 -5.273 -7.861 1.00 . C A . 70 HEC HBD1 1 1 22 26785 3 2 1 HEC HBD2 H -7.119 -3.766 -8.108 1.00 . C A . 70 HEC HBD2 1 1 22 26786 3 2 1 HEC HHA H -2.984 -4.946 -6.965 1.00 . C A . 70 HEC HHA 1 1 22 26787 3 2 1 HEC HHB H 0.438 -4.604 -1.578 1.00 . C A . 70 HEC HHB 1 1 22 26788 3 2 1 HEC HHC H -1.982 1.212 -0.517 1.00 . C A . 70 HEC HHC 1 1 22 26789 3 2 1 HEC HHD H -6.060 0.375 -5.288 1.00 . C A . 70 HEC HHD 1 1 22 26790 3 2 1 HEC HMA1 H 0.351 -7.606 -3.951 1.00 . C A . 70 HEC HMA1 1 1 22 26791 3 2 1 HEC HMA2 H 1.499 -6.358 -3.422 1.00 . C A . 70 HEC HMA2 1 1 22 26792 3 2 1 HEC HMA3 H 0.167 -6.880 -2.360 1.00 . C A . 70 HEC HMA3 1 1 22 26793 3 2 1 HEC HMB1 H 1.767 -3.541 -0.098 1.00 . C A . 70 HEC HMB1 1 1 22 26794 3 2 1 HEC HMB2 H 1.589 -2.312 1.157 1.00 . C A . 70 HEC HMB2 1 1 22 26795 3 2 1 HEC HMB3 H 0.486 -3.701 1.126 1.00 . C A . 70 HEC HMB3 1 1 22 26796 3 2 1 HEC HMC1 H -3.924 2.637 -0.182 1.00 . C A . 70 HEC HMC1 1 1 22 26797 3 2 1 HEC HMC2 H -2.877 3.423 -1.390 1.00 . C A . 70 HEC HMC2 1 1 22 26798 3 2 1 HEC HMC3 H -4.616 3.700 -1.403 1.00 . C A . 70 HEC HMC3 1 1 22 26799 3 2 1 HEC HMD1 H -6.667 -1.428 -8.481 1.00 . C A . 70 HEC HMD1 1 1 22 26800 3 2 1 HEC HMD2 H -7.214 -0.600 -7.020 1.00 . C A . 70 HEC HMD2 1 1 22 26801 3 2 1 HEC HMD3 H -5.808 0.024 -7.897 1.00 . C A . 70 HEC HMD3 1 1 22 26802 3 2 1 HEC NA N -1.699 -3.713 -4.071 1.00 . C A . 70 HEC NA 1 1 22 26803 3 2 1 HEC NB N -1.442 -1.803 -1.998 1.00 . C A . 70 HEC NB 1 1 22 26804 3 2 1 HEC NC N -3.596 -0.276 -3.062 1.00 . C A . 70 HEC NC 1 1 22 26805 3 2 1 HEC ND N -3.882 -2.206 -5.149 1.00 . C A . 70 HEC ND 1 1 22 26806 3 2 1 HEC O1A O -2.202 -10.190 -6.361 1.00 . C A . 70 HEC O1A 1 1 22 26807 3 2 1 HEC O1D O -7.026 -5.975 -10.146 1.00 . C A . 70 HEC O1D 1 1 22 26808 3 2 1 HEC O2A O -1.857 -8.739 -8.012 1.00 . C A . 70 HEC O2A 1 1 22 26809 3 2 1 HEC O2D O -6.598 -3.908 -10.815 1.00 . C A . 70 HEC O2D 1 1 22 26810 4 2 1 HEC C1A C 3.193 -5.966 9.264 1.00 . D A . 71 HEC C1A 1 1 22 26811 4 2 1 HEC C1B C 0.792 -9.488 9.317 1.00 . D A . 71 HEC C1B 1 1 22 26812 4 2 1 HEC C1C C -0.933 -8.313 5.619 1.00 . D A . 71 HEC C1C 1 1 22 26813 4 2 1 HEC C1D C 1.462 -4.820 5.551 1.00 . D A . 71 HEC C1D 1 1 22 26814 4 2 1 HEC C2A C 3.799 -6.170 10.563 1.00 . D A . 71 HEC C2A 1 1 22 26815 4 2 1 HEC C2B C 0.117 -10.766 9.402 1.00 . D A . 71 HEC C2B 1 1 22 26816 4 2 1 HEC C2C C -1.615 -8.116 4.371 1.00 . D A . 71 HEC C2C 1 1 22 26817 4 2 1 HEC C2D C 2.155 -3.570 5.399 1.00 . D A . 71 HEC C2D 1 1 22 26818 4 2 1 HEC C3A C 3.146 -7.235 11.135 1.00 . D A . 71 HEC C3A 1 1 22 26819 4 2 1 HEC C3B C -0.717 -10.848 8.307 1.00 . D A . 71 HEC C3B 1 1 22 26820 4 2 1 HEC C3C C -1.235 -6.867 3.921 1.00 . D A . 71 HEC C3C 1 1 22 26821 4 2 1 HEC C3D C 3.043 -3.438 6.440 1.00 . D A . 71 HEC C3D 1 1 22 26822 4 2 1 HEC C4A C 2.305 -7.810 10.115 1.00 . D A . 71 HEC C4A 1 1 22 26823 4 2 1 HEC C4B C -0.466 -9.669 7.520 1.00 . D A . 71 HEC C4B 1 1 22 26824 4 2 1 HEC C4C C -0.207 -6.400 4.838 1.00 . D A . 71 HEC C4C 1 1 22 26825 4 2 1 HEC C4D C 2.864 -4.630 7.262 1.00 . D A . 71 HEC C4D 1 1 22 26826 4 2 1 HEC CAA C 4.840 -5.294 11.236 1.00 . D A . 71 HEC CAA 1 1 22 26827 4 2 1 HEC CAB C -1.791 -11.865 7.961 1.00 . D A . 71 HEC CAB 1 1 22 26828 4 2 1 HEC CAC C -1.773 -6.087 2.728 1.00 . D A . 71 HEC CAC 1 1 22 26829 4 2 1 HEC CAD C 3.913 -2.196 6.649 1.00 . D A . 71 HEC CAD 1 1 22 26830 4 2 1 HEC CBA C 6.226 -5.933 11.450 1.00 . D A . 71 HEC CBA 1 1 22 26831 4 2 1 HEC CBB C -2.250 -12.803 9.081 1.00 . D A . 71 HEC CBB 1 1 22 26832 4 2 1 HEC CBC C -3.299 -6.041 2.620 1.00 . D A . 71 HEC CBC 1 1 22 26833 4 2 1 HEC CBD C 4.944 -2.227 7.777 1.00 . D A . 71 HEC CBD 1 1 22 26834 4 2 1 HEC CGA C 6.399 -6.418 12.892 1.00 . D A . 71 HEC CGA 1 1 22 26835 4 2 1 HEC CGD C 5.844 -1.004 7.919 1.00 . D A . 71 HEC CGD 1 1 22 26836 4 2 1 HEC CHA C 3.515 -4.921 8.439 1.00 . D A . 71 HEC CHA 1 1 22 26837 4 2 1 HEC CHB C 1.637 -8.998 10.284 1.00 . D A . 71 HEC CHB 1 1 22 26838 4 2 1 HEC CHC C -1.122 -9.432 6.350 1.00 . D A . 71 HEC CHC 1 1 22 26839 4 2 1 HEC CHD C 0.494 -5.232 4.667 1.00 . D A . 71 HEC CHD 1 1 22 26840 4 2 1 HEC CMA C 3.207 -7.676 12.580 1.00 . D A . 71 HEC CMA 1 1 22 26841 4 2 1 HEC CMB C 0.358 -11.830 10.451 1.00 . D A . 71 HEC CMB 1 1 22 26842 4 2 1 HEC CMC C -2.497 -9.174 3.727 1.00 . D A . 71 HEC CMC 1 1 22 26843 4 2 1 HEC CMD C 1.777 -2.522 4.393 1.00 . D A . 71 HEC CMD 1 1 22 26844 4 2 1 HEC FE FE 1.154 -7.129 7.469 1.00 . D A . 71 HEC FE 1 1 22 26845 4 2 1 HEC HAA1 H 5.017 -4.389 10.665 1.00 . D A . 71 HEC HAA1 1 1 22 26846 4 2 1 HEC HAA2 H 4.418 -4.970 12.182 1.00 . D A . 71 HEC HAA2 1 1 22 26847 4 2 1 HEC HAB H -2.678 -11.290 7.691 1.00 . D A . 71 HEC HAB 1 1 22 26848 4 2 1 HEC HAC H -1.487 -5.043 2.829 1.00 . D A . 71 HEC HAC 1 1 22 26849 4 2 1 HEC HAD1 H 4.471 -2.001 5.735 1.00 . D A . 71 HEC HAD1 1 1 22 26850 4 2 1 HEC HAD2 H 3.270 -1.334 6.825 1.00 . D A . 71 HEC HAD2 1 1 22 26851 4 2 1 HEC HBA1 H 6.407 -6.732 10.720 1.00 . D A . 71 HEC HBA1 1 1 22 26852 4 2 1 HEC HBA2 H 6.982 -5.166 11.280 1.00 . D A . 71 HEC HBA2 1 1 22 26853 4 2 1 HEC HBB1 H -3.224 -13.219 8.831 1.00 . D A . 71 HEC HBB1 1 1 22 26854 4 2 1 HEC HBB2 H -1.550 -13.626 9.205 1.00 . D A . 71 HEC HBB2 1 1 22 26855 4 2 1 HEC HBB3 H -2.361 -12.247 10.011 1.00 . D A . 71 HEC HBB3 1 1 22 26856 4 2 1 HEC HBC1 H -3.716 -5.689 3.561 1.00 . D A . 71 HEC HBC1 1 1 22 26857 4 2 1 HEC HBC2 H -3.581 -5.342 1.829 1.00 . D A . 71 HEC HBC2 1 1 22 26858 4 2 1 HEC HBC3 H -3.713 -7.019 2.380 1.00 . D A . 71 HEC HBC3 1 1 22 26859 4 2 1 HEC HBD1 H 4.394 -2.294 8.707 1.00 . D A . 71 HEC HBD1 1 1 22 26860 4 2 1 HEC HBD2 H 5.591 -3.082 7.628 1.00 . D A . 71 HEC HBD2 1 1 22 26861 4 2 1 HEC HHA H 4.310 -4.303 8.756 1.00 . D A . 71 HEC HHA 1 1 22 26862 4 2 1 HEC HHB H 1.805 -9.559 11.184 1.00 . D A . 71 HEC HHB 1 1 22 26863 4 2 1 HEC HHC H -1.795 -10.170 5.967 1.00 . D A . 71 HEC HHC 1 1 22 26864 4 2 1 HEC HHD H 0.327 -4.643 3.782 1.00 . D A . 71 HEC HHD 1 1 22 26865 4 2 1 HEC HMA1 H 3.938 -7.098 13.137 1.00 . D A . 71 HEC HMA1 1 1 22 26866 4 2 1 HEC HMA2 H 2.229 -7.512 13.029 1.00 . D A . 71 HEC HMA2 1 1 22 26867 4 2 1 HEC HMA3 H 3.460 -8.729 12.663 1.00 . D A . 71 HEC HMA3 1 1 22 26868 4 2 1 HEC HMB1 H 1.349 -11.721 10.886 1.00 . D A . 71 HEC HMB1 1 1 22 26869 4 2 1 HEC HMB2 H -0.392 -11.760 11.237 1.00 . D A . 71 HEC HMB2 1 1 22 26870 4 2 1 HEC HMB3 H 0.326 -12.812 9.984 1.00 . D A . 71 HEC HMB3 1 1 22 26871 4 2 1 HEC HMC1 H -2.033 -10.166 3.804 1.00 . D A . 71 HEC HMC1 1 1 22 26872 4 2 1 HEC HMC2 H -3.449 -9.244 4.256 1.00 . D A . 71 HEC HMC2 1 1 22 26873 4 2 1 HEC HMC3 H -2.670 -8.959 2.676 1.00 . D A . 71 HEC HMC3 1 1 22 26874 4 2 1 HEC HMD1 H 1.865 -2.900 3.382 1.00 . D A . 71 HEC HMD1 1 1 22 26875 4 2 1 HEC HMD2 H 0.724 -2.315 4.560 1.00 . D A . 71 HEC HMD2 1 1 22 26876 4 2 1 HEC HMD3 H 2.372 -1.616 4.508 1.00 . D A . 71 HEC HMD3 1 1 22 26877 4 2 1 HEC NA N 2.309 -6.974 9.049 1.00 . D A . 71 HEC NA 1 1 22 26878 4 2 1 HEC NB N 0.436 -8.889 8.152 1.00 . D A . 71 HEC NB 1 1 22 26879 4 2 1 HEC NC N -0.097 -7.294 5.854 1.00 . D A . 71 HEC NC 1 1 22 26880 4 2 1 HEC ND N 1.893 -5.403 6.691 1.00 . D A . 71 HEC ND 1 1 22 26881 4 2 1 HEC O1A O 6.754 -7.604 13.074 1.00 . D A . 71 HEC O1A 1 1 22 26882 4 2 1 HEC O1D O 6.495 -0.641 6.919 1.00 . D A . 71 HEC O1D 1 1 22 26883 4 2 1 HEC O2A O 6.072 -5.623 13.806 1.00 . D A . 71 HEC O2A 1 1 22 26884 4 2 1 HEC O2D O 5.862 -0.470 9.056 1.00 . D A . 71 HEC O2D 1 1 23 26885 1 1 1 ALA C C 8.717 2.912 -9.761 1.00 . A A . 1 ALA C 1 1 23 26886 1 1 1 ALA CA C 9.640 3.922 -9.084 1.00 . A A . 1 ALA CA 1 1 23 26887 1 1 1 ALA CB C 11.117 3.506 -9.087 1.00 . A A . 1 ALA CB 1 1 23 26888 1 1 1 ALA H1 H 9.243 3.337 -7.167 1.00 . A A . 1 ALA H1 1 1 23 26889 1 1 1 ALA H2 H 9.647 4.933 -7.281 1.00 . A A . 1 ALA H2 1 1 23 26890 1 1 1 ALA H3 H 8.159 4.409 -7.777 1.00 . A A . 1 ALA H3 1 1 23 26891 1 1 1 ALA HA H 9.558 4.853 -9.648 1.00 . A A . 1 ALA HA 1 1 23 26892 1 1 1 ALA HB1 H 11.442 3.312 -10.112 1.00 . A A . 1 ALA HB1 1 1 23 26893 1 1 1 ALA HB2 H 11.726 4.313 -8.680 1.00 . A A . 1 ALA HB2 1 1 23 26894 1 1 1 ALA HB3 H 11.271 2.608 -8.486 1.00 . A A . 1 ALA HB3 1 1 23 26895 1 1 1 ALA N N 9.144 4.176 -7.719 1.00 . A A . 1 ALA N 1 1 23 26896 1 1 1 ALA O O 7.573 3.263 -10.027 1.00 . A A . 1 ALA O 1 1 23 26897 1 1 2 ASP C C 7.673 -0.113 -9.242 1.00 . A A . 2 ASP C 1 1 23 26898 1 1 2 ASP CA C 8.355 0.567 -10.433 1.00 . A A . 2 ASP CA 1 1 23 26899 1 1 2 ASP CB C 9.185 -0.390 -11.298 1.00 . A A . 2 ASP CB 1 1 23 26900 1 1 2 ASP CG C 10.432 -0.936 -10.612 1.00 . A A . 2 ASP CG 1 1 23 26901 1 1 2 ASP H H 10.102 1.368 -9.726 1.00 . A A . 2 ASP H 1 1 23 26902 1 1 2 ASP HA H 7.610 0.952 -11.105 1.00 . A A . 2 ASP HA 1 1 23 26903 1 1 2 ASP HB2 H 8.538 -1.215 -11.596 1.00 . A A . 2 ASP HB2 1 1 23 26904 1 1 2 ASP HB3 H 9.495 0.139 -12.198 1.00 . A A . 2 ASP HB3 1 1 23 26905 1 1 2 ASP N N 9.166 1.673 -9.975 1.00 . A A . 2 ASP N 1 1 23 26906 1 1 2 ASP O O 6.448 -0.076 -9.145 1.00 . A A . 2 ASP O 1 1 23 26907 1 1 2 ASP OD1 O 10.829 -0.316 -9.597 1.00 . A A . 2 ASP OD1 1 1 23 26908 1 1 2 ASP OD2 O 10.952 -1.954 -11.109 1.00 . A A . 2 ASP OD2 1 1 23 26909 1 1 3 VAL C C 9.018 -1.204 -6.025 1.00 . A A . 3 VAL C 1 1 23 26910 1 1 3 VAL CA C 8.025 -1.451 -7.165 1.00 . A A . 3 VAL CA 1 1 23 26911 1 1 3 VAL CB C 7.905 -2.946 -7.543 1.00 . A A . 3 VAL CB 1 1 23 26912 1 1 3 VAL CG1 C 9.199 -3.514 -8.145 1.00 . A A . 3 VAL CG1 1 1 23 26913 1 1 3 VAL CG2 C 7.507 -3.849 -6.366 1.00 . A A . 3 VAL CG2 1 1 23 26914 1 1 3 VAL H H 9.474 -0.620 -8.484 1.00 . A A . 3 VAL H 1 1 23 26915 1 1 3 VAL HA H 7.053 -1.083 -6.842 1.00 . A A . 3 VAL HA 1 1 23 26916 1 1 3 VAL HB H 7.123 -3.033 -8.299 1.00 . A A . 3 VAL HB 1 1 23 26917 1 1 3 VAL HG11 H 10.024 -3.422 -7.439 1.00 . A A . 3 VAL HG11 1 1 23 26918 1 1 3 VAL HG12 H 9.058 -4.568 -8.387 1.00 . A A . 3 VAL HG12 1 1 23 26919 1 1 3 VAL HG13 H 9.454 -2.991 -9.065 1.00 . A A . 3 VAL HG13 1 1 23 26920 1 1 3 VAL HG21 H 8.293 -3.877 -5.612 1.00 . A A . 3 VAL HG21 1 1 23 26921 1 1 3 VAL HG22 H 6.586 -3.499 -5.911 1.00 . A A . 3 VAL HG22 1 1 23 26922 1 1 3 VAL HG23 H 7.339 -4.863 -6.728 1.00 . A A . 3 VAL HG23 1 1 23 26923 1 1 3 VAL N N 8.463 -0.687 -8.330 1.00 . A A . 3 VAL N 1 1 23 26924 1 1 3 VAL O O 10.179 -0.896 -6.285 1.00 . A A . 3 VAL O 1 1 23 26925 1 1 4 VAL C C 9.066 -2.348 -2.636 1.00 . A A . 4 VAL C 1 1 23 26926 1 1 4 VAL CA C 9.445 -1.227 -3.598 1.00 . A A . 4 VAL CA 1 1 23 26927 1 1 4 VAL CB C 9.350 0.170 -2.953 1.00 . A A . 4 VAL CB 1 1 23 26928 1 1 4 VAL CG1 C 10.075 0.277 -1.597 1.00 . A A . 4 VAL CG1 1 1 23 26929 1 1 4 VAL CG2 C 9.975 1.229 -3.864 1.00 . A A . 4 VAL CG2 1 1 23 26930 1 1 4 VAL H H 7.605 -1.570 -4.583 1.00 . A A . 4 VAL H 1 1 23 26931 1 1 4 VAL HA H 10.486 -1.390 -3.869 1.00 . A A . 4 VAL HA 1 1 23 26932 1 1 4 VAL HB H 8.300 0.415 -2.824 1.00 . A A . 4 VAL HB 1 1 23 26933 1 1 4 VAL HG11 H 9.609 -0.356 -0.844 1.00 . A A . 4 VAL HG11 1 1 23 26934 1 1 4 VAL HG12 H 11.119 -0.015 -1.703 1.00 . A A . 4 VAL HG12 1 1 23 26935 1 1 4 VAL HG13 H 10.034 1.303 -1.230 1.00 . A A . 4 VAL HG13 1 1 23 26936 1 1 4 VAL HG21 H 9.445 1.274 -4.813 1.00 . A A . 4 VAL HG21 1 1 23 26937 1 1 4 VAL HG22 H 9.914 2.203 -3.379 1.00 . A A . 4 VAL HG22 1 1 23 26938 1 1 4 VAL HG23 H 11.021 0.980 -4.039 1.00 . A A . 4 VAL HG23 1 1 23 26939 1 1 4 VAL N N 8.574 -1.309 -4.768 1.00 . A A . 4 VAL N 1 1 23 26940 1 1 4 VAL O O 7.984 -2.935 -2.739 1.00 . A A . 4 VAL O 1 1 23 26941 1 1 5 THR C C 10.124 -2.541 0.760 1.00 . A A . 5 THR C 1 1 23 26942 1 1 5 THR CA C 9.566 -3.272 -0.456 1.00 . A A . 5 THR CA 1 1 23 26943 1 1 5 THR CB C 9.958 -4.754 -0.456 1.00 . A A . 5 THR CB 1 1 23 26944 1 1 5 THR CG2 C 11.468 -5.005 -0.503 1.00 . A A . 5 THR CG2 1 1 23 26945 1 1 5 THR H H 10.838 -2.132 -1.653 1.00 . A A . 5 THR H 1 1 23 26946 1 1 5 THR HA H 8.485 -3.152 -0.385 1.00 . A A . 5 THR HA 1 1 23 26947 1 1 5 THR HB H 9.489 -5.241 -1.313 1.00 . A A . 5 THR HB 1 1 23 26948 1 1 5 THR HG1 H 8.564 -4.902 0.799 1.00 . A A . 5 THR HG1 1 1 23 26949 1 1 5 THR HG21 H 11.653 -6.079 -0.521 1.00 . A A . 5 THR HG21 1 1 23 26950 1 1 5 THR HG22 H 11.897 -4.558 -1.399 1.00 . A A . 5 THR HG22 1 1 23 26951 1 1 5 THR HG23 H 11.955 -4.585 0.377 1.00 . A A . 5 THR HG23 1 1 23 26952 1 1 5 THR N N 9.960 -2.633 -1.686 1.00 . A A . 5 THR N 1 1 23 26953 1 1 5 THR O O 11.224 -1.996 0.718 1.00 . A A . 5 THR O 1 1 23 26954 1 1 5 THR OG1 O 9.437 -5.299 0.728 1.00 . A A . 5 THR OG1 1 1 23 26955 1 1 6 TYR C C 10.771 -3.004 3.791 1.00 . A A . 6 TYR C 1 1 23 26956 1 1 6 TYR CA C 9.709 -2.097 3.157 1.00 . A A . 6 TYR CA 1 1 23 26957 1 1 6 TYR CB C 8.453 -2.041 4.041 1.00 . A A . 6 TYR CB 1 1 23 26958 1 1 6 TYR CD1 C 7.718 0.226 3.145 1.00 . A A . 6 TYR CD1 1 1 23 26959 1 1 6 TYR CD2 C 6.025 -1.459 3.567 1.00 . A A . 6 TYR CD2 1 1 23 26960 1 1 6 TYR CE1 C 6.759 1.016 2.494 1.00 . A A . 6 TYR CE1 1 1 23 26961 1 1 6 TYR CE2 C 5.064 -0.658 2.933 1.00 . A A . 6 TYR CE2 1 1 23 26962 1 1 6 TYR CG C 7.375 -1.062 3.595 1.00 . A A . 6 TYR CG 1 1 23 26963 1 1 6 TYR CZ C 5.445 0.551 2.342 1.00 . A A . 6 TYR CZ 1 1 23 26964 1 1 6 TYR H H 8.420 -2.977 1.723 1.00 . A A . 6 TYR H 1 1 23 26965 1 1 6 TYR HA H 10.134 -1.102 3.070 1.00 . A A . 6 TYR HA 1 1 23 26966 1 1 6 TYR HB2 H 8.025 -3.042 4.091 1.00 . A A . 6 TYR HB2 1 1 23 26967 1 1 6 TYR HB3 H 8.762 -1.779 5.048 1.00 . A A . 6 TYR HB3 1 1 23 26968 1 1 6 TYR HD1 H 8.735 0.583 3.185 1.00 . A A . 6 TYR HD1 1 1 23 26969 1 1 6 TYR HD2 H 5.725 -2.406 3.976 1.00 . A A . 6 TYR HD2 1 1 23 26970 1 1 6 TYR HE1 H 7.099 1.879 1.952 1.00 . A A . 6 TYR HE1 1 1 23 26971 1 1 6 TYR HE2 H 4.055 -1.011 2.797 1.00 . A A . 6 TYR HE2 1 1 23 26972 1 1 6 TYR HH H 5.018 1.209 0.589 1.00 . A A . 6 TYR HH 1 1 23 26973 1 1 6 TYR N N 9.332 -2.564 1.834 1.00 . A A . 6 TYR N 1 1 23 26974 1 1 6 TYR O O 11.727 -2.512 4.385 1.00 . A A . 6 TYR O 1 1 23 26975 1 1 6 TYR OH O 4.602 1.146 1.454 1.00 . A A . 6 TYR OH 1 1 23 26976 1 1 7 GLU C C 10.772 -5.285 5.947 1.00 . A A . 7 GLU C 1 1 23 26977 1 1 7 GLU CA C 11.198 -5.369 4.473 1.00 . A A . 7 GLU CA 1 1 23 26978 1 1 7 GLU CB C 12.713 -5.471 4.267 1.00 . A A . 7 GLU CB 1 1 23 26979 1 1 7 GLU CD C 14.332 -7.446 4.274 1.00 . A A . 7 GLU CD 1 1 23 26980 1 1 7 GLU CG C 13.343 -6.619 5.080 1.00 . A A . 7 GLU CG 1 1 23 26981 1 1 7 GLU H H 9.816 -4.605 3.063 1.00 . A A . 7 GLU H 1 1 23 26982 1 1 7 GLU HA H 10.807 -6.293 4.061 1.00 . A A . 7 GLU HA 1 1 23 26983 1 1 7 GLU HB2 H 12.911 -5.626 3.204 1.00 . A A . 7 GLU HB2 1 1 23 26984 1 1 7 GLU HB3 H 13.173 -4.539 4.576 1.00 . A A . 7 GLU HB3 1 1 23 26985 1 1 7 GLU HG2 H 13.858 -6.205 5.947 1.00 . A A . 7 GLU HG2 1 1 23 26986 1 1 7 GLU HG3 H 12.584 -7.311 5.435 1.00 . A A . 7 GLU HG3 1 1 23 26987 1 1 7 GLU N N 10.569 -4.322 3.670 1.00 . A A . 7 GLU N 1 1 23 26988 1 1 7 GLU O O 10.749 -4.224 6.561 1.00 . A A . 7 GLU O 1 1 23 26989 1 1 7 GLU OE1 O 15.436 -6.926 4.010 1.00 . A A . 7 GLU OE1 1 1 23 26990 1 1 7 GLU OE2 O 13.956 -8.597 3.955 1.00 . A A . 7 GLU OE2 1 1 23 26991 1 1 8 ASN C C 9.735 -8.135 8.059 1.00 . A A . 8 ASN C 1 1 23 26992 1 1 8 ASN CA C 9.835 -6.628 7.832 1.00 . A A . 8 ASN CA 1 1 23 26993 1 1 8 ASN CB C 8.475 -5.931 7.975 1.00 . A A . 8 ASN CB 1 1 23 26994 1 1 8 ASN CG C 7.568 -6.174 6.780 1.00 . A A . 8 ASN CG 1 1 23 26995 1 1 8 ASN H H 10.528 -7.288 5.973 1.00 . A A . 8 ASN H 1 1 23 26996 1 1 8 ASN HA H 10.521 -6.213 8.572 1.00 . A A . 8 ASN HA 1 1 23 26997 1 1 8 ASN HB2 H 7.965 -6.300 8.858 1.00 . A A . 8 ASN HB2 1 1 23 26998 1 1 8 ASN HB3 H 8.644 -4.863 8.108 1.00 . A A . 8 ASN HB3 1 1 23 26999 1 1 8 ASN HD21 H 7.617 -4.197 6.318 1.00 . A A . 8 ASN HD21 1 1 23 27000 1 1 8 ASN HD22 H 6.765 -5.223 5.163 1.00 . A A . 8 ASN HD22 1 1 23 27001 1 1 8 ASN N N 10.401 -6.439 6.505 1.00 . A A . 8 ASN N 1 1 23 27002 1 1 8 ASN ND2 N 7.329 -5.134 5.988 1.00 . A A . 8 ASN ND2 1 1 23 27003 1 1 8 ASN O O 9.859 -8.912 7.104 1.00 . A A . 8 ASN O 1 1 23 27004 1 1 8 ASN OD1 O 7.103 -7.292 6.564 1.00 . A A . 8 ASN OD1 1 1 23 27005 1 1 9 LYS C C 8.891 -10.941 9.368 1.00 . A A . 9 LYS C 1 1 23 27006 1 1 9 LYS CA C 9.924 -9.888 9.785 1.00 . A A . 9 LYS CA 1 1 23 27007 1 1 9 LYS CB C 10.102 -9.849 11.315 1.00 . A A . 9 LYS CB 1 1 23 27008 1 1 9 LYS CD C 12.502 -10.667 11.684 1.00 . A A . 9 LYS CD 1 1 23 27009 1 1 9 LYS CE C 13.021 -9.719 12.780 1.00 . A A . 9 LYS CE 1 1 23 27010 1 1 9 LYS CG C 11.004 -10.970 11.861 1.00 . A A . 9 LYS CG 1 1 23 27011 1 1 9 LYS H H 9.234 -7.888 10.032 1.00 . A A . 9 LYS H 1 1 23 27012 1 1 9 LYS HA H 10.873 -10.156 9.321 1.00 . A A . 9 LYS HA 1 1 23 27013 1 1 9 LYS HB2 H 10.517 -8.886 11.611 1.00 . A A . 9 LYS HB2 1 1 23 27014 1 1 9 LYS HB3 H 9.115 -9.933 11.775 1.00 . A A . 9 LYS HB3 1 1 23 27015 1 1 9 LYS HD2 H 13.040 -11.615 11.744 1.00 . A A . 9 LYS HD2 1 1 23 27016 1 1 9 LYS HD3 H 12.664 -10.240 10.693 1.00 . A A . 9 LYS HD3 1 1 23 27017 1 1 9 LYS HE2 H 12.463 -8.783 12.758 1.00 . A A . 9 LYS HE2 1 1 23 27018 1 1 9 LYS HE3 H 12.871 -10.186 13.756 1.00 . A A . 9 LYS HE3 1 1 23 27019 1 1 9 LYS HG2 H 10.789 -11.115 12.921 1.00 . A A . 9 LYS HG2 1 1 23 27020 1 1 9 LYS HG3 H 10.768 -11.904 11.350 1.00 . A A . 9 LYS HG3 1 1 23 27021 1 1 9 LYS HZ1 H 14.620 -8.945 11.737 1.00 . A A . 9 LYS HZ1 1 1 23 27022 1 1 9 LYS HZ2 H 14.763 -8.804 13.367 1.00 . A A . 9 LYS HZ2 1 1 23 27023 1 1 9 LYS HZ3 H 15.006 -10.262 12.648 1.00 . A A . 9 LYS HZ3 1 1 23 27024 1 1 9 LYS N N 9.572 -8.550 9.321 1.00 . A A . 9 LYS N 1 1 23 27025 1 1 9 LYS NZ N 14.458 -9.413 12.618 1.00 . A A . 9 LYS NZ 1 1 23 27026 1 1 9 LYS O O 9.136 -12.137 9.493 1.00 . A A . 9 LYS O 1 1 23 27027 1 1 10 LYS C C 7.149 -12.122 7.173 1.00 . A A . 10 LYS C 1 1 23 27028 1 1 10 LYS CA C 6.671 -11.391 8.422 1.00 . A A . 10 LYS CA 1 1 23 27029 1 1 10 LYS CB C 5.417 -10.565 8.112 1.00 . A A . 10 LYS CB 1 1 23 27030 1 1 10 LYS CD C 4.257 -10.707 10.389 1.00 . A A . 10 LYS CD 1 1 23 27031 1 1 10 LYS CE C 5.212 -10.995 11.561 1.00 . A A . 10 LYS CE 1 1 23 27032 1 1 10 LYS CG C 4.883 -9.796 9.321 1.00 . A A . 10 LYS CG 1 1 23 27033 1 1 10 LYS H H 7.599 -9.506 8.824 1.00 . A A . 10 LYS H 1 1 23 27034 1 1 10 LYS HA H 6.439 -12.147 9.170 1.00 . A A . 10 LYS HA 1 1 23 27035 1 1 10 LYS HB2 H 5.660 -9.821 7.352 1.00 . A A . 10 LYS HB2 1 1 23 27036 1 1 10 LYS HB3 H 4.636 -11.213 7.711 1.00 . A A . 10 LYS HB3 1 1 23 27037 1 1 10 LYS HD2 H 3.382 -10.186 10.774 1.00 . A A . 10 LYS HD2 1 1 23 27038 1 1 10 LYS HD3 H 3.912 -11.630 9.920 1.00 . A A . 10 LYS HD3 1 1 23 27039 1 1 10 LYS HE2 H 6.065 -11.584 11.224 1.00 . A A . 10 LYS HE2 1 1 23 27040 1 1 10 LYS HE3 H 5.598 -10.052 11.954 1.00 . A A . 10 LYS HE3 1 1 23 27041 1 1 10 LYS HG2 H 5.677 -9.177 9.738 1.00 . A A . 10 LYS HG2 1 1 23 27042 1 1 10 LYS HG3 H 4.112 -9.123 8.935 1.00 . A A . 10 LYS HG3 1 1 23 27043 1 1 10 LYS HZ1 H 4.164 -12.602 12.310 1.00 . A A . 10 LYS HZ1 1 1 23 27044 1 1 10 LYS HZ2 H 5.193 -11.918 13.395 1.00 . A A . 10 LYS HZ2 1 1 23 27045 1 1 10 LYS HZ3 H 3.778 -11.174 13.027 1.00 . A A . 10 LYS HZ3 1 1 23 27046 1 1 10 LYS N N 7.720 -10.505 8.904 1.00 . A A . 10 LYS N 1 1 23 27047 1 1 10 LYS NZ N 4.536 -11.727 12.652 1.00 . A A . 10 LYS NZ 1 1 23 27048 1 1 10 LYS O O 7.236 -13.347 7.148 1.00 . A A . 10 LYS O 1 1 23 27049 1 1 11 GLY C C 7.821 -10.570 3.919 1.00 . A A . 11 GLY C 1 1 23 27050 1 1 11 GLY CA C 7.809 -11.793 4.820 1.00 . A A . 11 GLY CA 1 1 23 27051 1 1 11 GLY H H 7.308 -10.340 6.271 1.00 . A A . 11 GLY H 1 1 23 27052 1 1 11 GLY HA2 H 8.803 -12.242 4.850 1.00 . A A . 11 GLY HA2 1 1 23 27053 1 1 11 GLY HA3 H 7.089 -12.522 4.446 1.00 . A A . 11 GLY HA3 1 1 23 27054 1 1 11 GLY N N 7.423 -11.336 6.140 1.00 . A A . 11 GLY N 1 1 23 27055 1 1 11 GLY O O 7.210 -10.573 2.849 1.00 . A A . 11 GLY O 1 1 23 27056 1 1 12 ASN C C 7.118 -7.674 3.487 1.00 . A A . 12 ASN C 1 1 23 27057 1 1 12 ASN CA C 8.535 -8.219 3.716 1.00 . A A . 12 ASN CA 1 1 23 27058 1 1 12 ASN CB C 9.318 -8.369 2.393 1.00 . A A . 12 ASN CB 1 1 23 27059 1 1 12 ASN CG C 10.792 -8.756 2.520 1.00 . A A . 12 ASN CG 1 1 23 27060 1 1 12 ASN H H 8.901 -9.562 5.324 1.00 . A A . 12 ASN H 1 1 23 27061 1 1 12 ASN HA H 9.049 -7.481 4.335 1.00 . A A . 12 ASN HA 1 1 23 27062 1 1 12 ASN HB2 H 8.828 -9.074 1.724 1.00 . A A . 12 ASN HB2 1 1 23 27063 1 1 12 ASN HB3 H 9.334 -7.411 1.886 1.00 . A A . 12 ASN HB3 1 1 23 27064 1 1 12 ASN HD21 H 10.740 -8.959 4.571 1.00 . A A . 12 ASN HD21 1 1 23 27065 1 1 12 ASN HD22 H 12.327 -9.020 3.801 1.00 . A A . 12 ASN HD22 1 1 23 27066 1 1 12 ASN N N 8.473 -9.502 4.405 1.00 . A A . 12 ASN N 1 1 23 27067 1 1 12 ASN ND2 N 11.300 -8.957 3.734 1.00 . A A . 12 ASN ND2 1 1 23 27068 1 1 12 ASN O O 6.133 -8.195 4.022 1.00 . A A . 12 ASN O 1 1 23 27069 1 1 12 ASN OD1 O 11.479 -8.846 1.508 1.00 . A A . 12 ASN OD1 1 1 23 27070 1 1 13 VAL C C 6.230 -5.777 0.615 1.00 . A A . 13 VAL C 1 1 23 27071 1 1 13 VAL CA C 5.809 -6.175 2.022 1.00 . A A . 13 VAL CA 1 1 23 27072 1 1 13 VAL CB C 5.228 -4.950 2.735 1.00 . A A . 13 VAL CB 1 1 23 27073 1 1 13 VAL CG1 C 4.222 -4.177 1.865 1.00 . A A . 13 VAL CG1 1 1 23 27074 1 1 13 VAL CG2 C 4.542 -5.338 4.046 1.00 . A A . 13 VAL CG2 1 1 23 27075 1 1 13 VAL H H 7.874 -6.135 2.413 1.00 . A A . 13 VAL H 1 1 23 27076 1 1 13 VAL HA H 5.068 -6.973 1.983 1.00 . A A . 13 VAL HA 1 1 23 27077 1 1 13 VAL HB H 6.066 -4.291 2.956 1.00 . A A . 13 VAL HB 1 1 23 27078 1 1 13 VAL HG11 H 3.338 -4.786 1.684 1.00 . A A . 13 VAL HG11 1 1 23 27079 1 1 13 VAL HG12 H 3.948 -3.265 2.375 1.00 . A A . 13 VAL HG12 1 1 23 27080 1 1 13 VAL HG13 H 4.632 -3.858 0.911 1.00 . A A . 13 VAL HG13 1 1 23 27081 1 1 13 VAL HG21 H 5.141 -6.033 4.622 1.00 . A A . 13 VAL HG21 1 1 23 27082 1 1 13 VAL HG22 H 4.422 -4.439 4.637 1.00 . A A . 13 VAL HG22 1 1 23 27083 1 1 13 VAL HG23 H 3.572 -5.795 3.853 1.00 . A A . 13 VAL HG23 1 1 23 27084 1 1 13 VAL N N 7.024 -6.604 2.697 1.00 . A A . 13 VAL N 1 1 23 27085 1 1 13 VAL O O 6.847 -4.723 0.464 1.00 . A A . 13 VAL O 1 1 23 27086 1 1 14 THR C C 4.926 -5.101 -2.043 1.00 . A A . 14 THR C 1 1 23 27087 1 1 14 THR CA C 6.071 -6.077 -1.771 1.00 . A A . 14 THR CA 1 1 23 27088 1 1 14 THR CB C 6.063 -7.262 -2.745 1.00 . A A . 14 THR CB 1 1 23 27089 1 1 14 THR CG2 C 6.464 -6.824 -4.157 1.00 . A A . 14 THR CG2 1 1 23 27090 1 1 14 THR H H 5.367 -7.403 -0.255 1.00 . A A . 14 THR H 1 1 23 27091 1 1 14 THR HA H 7.028 -5.562 -1.871 1.00 . A A . 14 THR HA 1 1 23 27092 1 1 14 THR HB H 5.068 -7.710 -2.776 1.00 . A A . 14 THR HB 1 1 23 27093 1 1 14 THR HG1 H 7.820 -7.809 -2.098 1.00 . A A . 14 THR HG1 1 1 23 27094 1 1 14 THR HG21 H 5.737 -6.111 -4.552 1.00 . A A . 14 THR HG21 1 1 23 27095 1 1 14 THR HG22 H 7.450 -6.359 -4.147 1.00 . A A . 14 THR HG22 1 1 23 27096 1 1 14 THR HG23 H 6.488 -7.696 -4.813 1.00 . A A . 14 THR HG23 1 1 23 27097 1 1 14 THR N N 5.911 -6.562 -0.409 1.00 . A A . 14 THR N 1 1 23 27098 1 1 14 THR O O 3.766 -5.480 -1.884 1.00 . A A . 14 THR O 1 1 23 27099 1 1 14 THR OG1 O 6.983 -8.236 -2.293 1.00 . A A . 14 THR OG1 1 1 23 27100 1 1 15 PHE C C 4.631 -2.323 -4.199 1.00 . A A . 15 PHE C 1 1 23 27101 1 1 15 PHE CA C 4.208 -2.912 -2.857 1.00 . A A . 15 PHE CA 1 1 23 27102 1 1 15 PHE CB C 3.917 -1.860 -1.778 1.00 . A A . 15 PHE CB 1 1 23 27103 1 1 15 PHE CD1 C 6.059 -1.183 -0.652 1.00 . A A . 15 PHE CD1 1 1 23 27104 1 1 15 PHE CD2 C 4.914 0.447 -2.061 1.00 . A A . 15 PHE CD2 1 1 23 27105 1 1 15 PHE CE1 C 7.004 -0.210 -0.306 1.00 . A A . 15 PHE CE1 1 1 23 27106 1 1 15 PHE CE2 C 5.851 1.426 -1.695 1.00 . A A . 15 PHE CE2 1 1 23 27107 1 1 15 PHE CG C 5.005 -0.850 -1.516 1.00 . A A . 15 PHE CG 1 1 23 27108 1 1 15 PHE CZ C 6.878 1.101 -0.793 1.00 . A A . 15 PHE CZ 1 1 23 27109 1 1 15 PHE H H 6.199 -3.566 -2.535 1.00 . A A . 15 PHE H 1 1 23 27110 1 1 15 PHE HA H 3.265 -3.438 -3.016 1.00 . A A . 15 PHE HA 1 1 23 27111 1 1 15 PHE HB2 H 3.013 -1.315 -2.039 1.00 . A A . 15 PHE HB2 1 1 23 27112 1 1 15 PHE HB3 H 3.720 -2.373 -0.840 1.00 . A A . 15 PHE HB3 1 1 23 27113 1 1 15 PHE HD1 H 6.136 -2.179 -0.241 1.00 . A A . 15 PHE HD1 1 1 23 27114 1 1 15 PHE HD2 H 4.139 0.687 -2.776 1.00 . A A . 15 PHE HD2 1 1 23 27115 1 1 15 PHE HE1 H 7.784 -0.449 0.401 1.00 . A A . 15 PHE HE1 1 1 23 27116 1 1 15 PHE HE2 H 5.789 2.420 -2.116 1.00 . A A . 15 PHE HE2 1 1 23 27117 1 1 15 PHE HZ H 7.594 1.843 -0.480 1.00 . A A . 15 PHE HZ 1 1 23 27118 1 1 15 PHE N N 5.228 -3.856 -2.426 1.00 . A A . 15 PHE N 1 1 23 27119 1 1 15 PHE O O 5.707 -1.736 -4.332 1.00 . A A . 15 PHE O 1 1 23 27120 1 1 16 ASP C C 3.759 -0.448 -6.404 1.00 . A A . 16 ASP C 1 1 23 27121 1 1 16 ASP CA C 4.005 -1.955 -6.520 1.00 . A A . 16 ASP CA 1 1 23 27122 1 1 16 ASP CB C 3.118 -2.654 -7.552 1.00 . A A . 16 ASP CB 1 1 23 27123 1 1 16 ASP CG C 3.584 -2.370 -8.969 1.00 . A A . 16 ASP CG 1 1 23 27124 1 1 16 ASP H H 2.920 -3.012 -5.051 1.00 . A A . 16 ASP H 1 1 23 27125 1 1 16 ASP HA H 5.037 -2.123 -6.819 1.00 . A A . 16 ASP HA 1 1 23 27126 1 1 16 ASP HB2 H 3.169 -3.732 -7.399 1.00 . A A . 16 ASP HB2 1 1 23 27127 1 1 16 ASP HB3 H 2.084 -2.334 -7.425 1.00 . A A . 16 ASP HB3 1 1 23 27128 1 1 16 ASP N N 3.797 -2.546 -5.217 1.00 . A A . 16 ASP N 1 1 23 27129 1 1 16 ASP O O 3.005 -0.001 -5.540 1.00 . A A . 16 ASP O 1 1 23 27130 1 1 16 ASP OD1 O 3.706 -1.182 -9.323 1.00 . A A . 16 ASP OD1 1 1 23 27131 1 1 16 ASP OD2 O 3.789 -3.335 -9.736 1.00 . A A . 16 ASP OD2 1 1 23 27132 1 1 17 HIS C C 3.758 2.245 -8.481 1.00 . A A . 17 HIS C 1 1 23 27133 1 1 17 HIS CA C 4.455 1.778 -7.204 1.00 . A A . 17 HIS CA 1 1 23 27134 1 1 17 HIS CB C 5.919 2.257 -7.108 1.00 . A A . 17 HIS CB 1 1 23 27135 1 1 17 HIS CD2 C 5.402 4.582 -6.148 1.00 . A A . 17 HIS CD2 1 1 23 27136 1 1 17 HIS CE1 C 6.921 4.683 -4.576 1.00 . A A . 17 HIS CE1 1 1 23 27137 1 1 17 HIS CG C 6.147 3.434 -6.198 1.00 . A A . 17 HIS CG 1 1 23 27138 1 1 17 HIS H H 4.889 -0.135 -8.028 1.00 . A A . 17 HIS H 1 1 23 27139 1 1 17 HIS HA H 3.899 2.144 -6.338 1.00 . A A . 17 HIS HA 1 1 23 27140 1 1 17 HIS HB2 H 6.540 1.439 -6.741 1.00 . A A . 17 HIS HB2 1 1 23 27141 1 1 17 HIS HB3 H 6.289 2.521 -8.093 1.00 . A A . 17 HIS HB3 1 1 23 27142 1 1 17 HIS HD1 H 7.721 2.773 -4.904 1.00 . A A . 17 HIS HD1 1 1 23 27143 1 1 17 HIS HD2 H 4.550 4.815 -6.766 1.00 . A A . 17 HIS HD2 1 1 23 27144 1 1 17 HIS HE1 H 7.506 4.997 -3.727 1.00 . A A . 17 HIS HE1 1 1 23 27145 1 1 17 HIS N N 4.451 0.328 -7.231 1.00 . A A . 17 HIS N 1 1 23 27146 1 1 17 HIS ND1 N 7.090 3.505 -5.199 1.00 . A A . 17 HIS ND1 1 1 23 27147 1 1 17 HIS NE2 N 5.890 5.366 -5.100 1.00 . A A . 17 HIS NE2 1 1 23 27148 1 1 17 HIS O O 2.710 2.889 -8.442 1.00 . A A . 17 HIS O 1 1 23 27149 1 1 18 LYS C C 2.435 1.689 -11.160 1.00 . A A . 18 LYS C 1 1 23 27150 1 1 18 LYS CA C 3.846 2.228 -10.941 1.00 . A A . 18 LYS CA 1 1 23 27151 1 1 18 LYS CB C 4.890 1.901 -12.007 1.00 . A A . 18 LYS CB 1 1 23 27152 1 1 18 LYS CD C 4.778 -0.592 -12.417 1.00 . A A . 18 LYS CD 1 1 23 27153 1 1 18 LYS CE C 3.793 -1.620 -12.986 1.00 . A A . 18 LYS CE 1 1 23 27154 1 1 18 LYS CG C 4.500 0.807 -12.979 1.00 . A A . 18 LYS CG 1 1 23 27155 1 1 18 LYS H H 5.146 1.268 -9.559 1.00 . A A . 18 LYS H 1 1 23 27156 1 1 18 LYS HA H 3.770 3.299 -11.052 1.00 . A A . 18 LYS HA 1 1 23 27157 1 1 18 LYS HB2 H 5.109 2.796 -12.585 1.00 . A A . 18 LYS HB2 1 1 23 27158 1 1 18 LYS HB3 H 5.813 1.630 -11.529 1.00 . A A . 18 LYS HB3 1 1 23 27159 1 1 18 LYS HD2 H 5.806 -0.871 -12.654 1.00 . A A . 18 LYS HD2 1 1 23 27160 1 1 18 LYS HD3 H 4.705 -0.555 -11.334 1.00 . A A . 18 LYS HD3 1 1 23 27161 1 1 18 LYS HE2 H 2.771 -1.259 -12.858 1.00 . A A . 18 LYS HE2 1 1 23 27162 1 1 18 LYS HE3 H 3.973 -1.750 -14.055 1.00 . A A . 18 LYS HE3 1 1 23 27163 1 1 18 LYS HG2 H 3.474 0.978 -13.294 1.00 . A A . 18 LYS HG2 1 1 23 27164 1 1 18 LYS HG3 H 5.144 0.962 -13.823 1.00 . A A . 18 LYS HG3 1 1 23 27165 1 1 18 LYS HZ1 H 4.830 -3.322 -12.417 1.00 . A A . 18 LYS HZ1 1 1 23 27166 1 1 18 LYS HZ2 H 3.781 -2.810 -11.289 1.00 . A A . 18 LYS HZ2 1 1 23 27167 1 1 18 LYS HZ3 H 3.212 -3.568 -12.615 1.00 . A A . 18 LYS HZ3 1 1 23 27168 1 1 18 LYS N N 4.340 1.879 -9.623 1.00 . A A . 18 LYS N 1 1 23 27169 1 1 18 LYS NZ N 3.914 -2.919 -12.295 1.00 . A A . 18 LYS NZ 1 1 23 27170 1 1 18 LYS O O 1.581 2.422 -11.636 1.00 . A A . 18 LYS O 1 1 23 27171 1 1 19 ALA C C -0.186 0.733 -10.191 1.00 . A A . 19 ALA C 1 1 23 27172 1 1 19 ALA CA C 0.834 -0.145 -10.908 1.00 . A A . 19 ALA CA 1 1 23 27173 1 1 19 ALA CB C 0.804 -1.532 -10.291 1.00 . A A . 19 ALA CB 1 1 23 27174 1 1 19 ALA H H 2.926 -0.119 -10.403 1.00 . A A . 19 ALA H 1 1 23 27175 1 1 19 ALA HA H 0.560 -0.247 -11.957 1.00 . A A . 19 ALA HA 1 1 23 27176 1 1 19 ALA HB1 H -0.190 -1.957 -10.421 1.00 . A A . 19 ALA HB1 1 1 23 27177 1 1 19 ALA HB2 H 1.534 -2.176 -10.772 1.00 . A A . 19 ALA HB2 1 1 23 27178 1 1 19 ALA HB3 H 1.014 -1.427 -9.228 1.00 . A A . 19 ALA HB3 1 1 23 27179 1 1 19 ALA N N 2.170 0.433 -10.809 1.00 . A A . 19 ALA N 1 1 23 27180 1 1 19 ALA O O -1.118 1.244 -10.806 1.00 . A A . 19 ALA O 1 1 23 27181 1 1 20 HIS C C -0.974 3.166 -8.760 1.00 . A A . 20 HIS C 1 1 23 27182 1 1 20 HIS CA C -0.894 1.776 -8.115 1.00 . A A . 20 HIS CA 1 1 23 27183 1 1 20 HIS CB C -0.465 1.785 -6.638 1.00 . A A . 20 HIS CB 1 1 23 27184 1 1 20 HIS CD2 C -1.317 0.350 -4.651 1.00 . A A . 20 HIS CD2 1 1 23 27185 1 1 20 HIS CE1 C -1.283 -1.611 -5.586 1.00 . A A . 20 HIS CE1 1 1 23 27186 1 1 20 HIS CG C -0.773 0.492 -5.909 1.00 . A A . 20 HIS CG 1 1 23 27187 1 1 20 HIS H H 0.864 0.614 -8.460 1.00 . A A . 20 HIS H 1 1 23 27188 1 1 20 HIS HA H -1.890 1.331 -8.173 1.00 . A A . 20 HIS HA 1 1 23 27189 1 1 20 HIS HB2 H 0.605 1.992 -6.565 1.00 . A A . 20 HIS HB2 1 1 23 27190 1 1 20 HIS HB3 H -0.994 2.583 -6.132 1.00 . A A . 20 HIS HB3 1 1 23 27191 1 1 20 HIS HD1 H -0.843 -0.954 -7.499 1.00 . A A . 20 HIS HD1 1 1 23 27192 1 1 20 HIS HD2 H -1.592 1.142 -3.979 1.00 . A A . 20 HIS HD2 1 1 23 27193 1 1 20 HIS HE1 H -1.497 -2.632 -5.833 1.00 . A A . 20 HIS HE1 1 1 23 27194 1 1 20 HIS N N 0.021 0.959 -8.893 1.00 . A A . 20 HIS N 1 1 23 27195 1 1 20 HIS ND1 N -0.802 -0.752 -6.494 1.00 . A A . 20 HIS ND1 1 1 23 27196 1 1 20 HIS NE2 N -1.642 -0.995 -4.448 1.00 . A A . 20 HIS NE2 1 1 23 27197 1 1 20 HIS O O -2.029 3.790 -8.805 1.00 . A A . 20 HIS O 1 1 23 27198 1 1 21 ALA C C -0.882 4.806 -11.292 1.00 . A A . 21 ALA C 1 1 23 27199 1 1 21 ALA CA C 0.092 4.883 -10.101 1.00 . A A . 21 ALA CA 1 1 23 27200 1 1 21 ALA CB C 1.507 5.305 -10.506 1.00 . A A . 21 ALA CB 1 1 23 27201 1 1 21 ALA H H 0.965 3.054 -9.334 1.00 . A A . 21 ALA H 1 1 23 27202 1 1 21 ALA HA H -0.276 5.656 -9.424 1.00 . A A . 21 ALA HA 1 1 23 27203 1 1 21 ALA HB1 H 1.865 4.734 -11.356 1.00 . A A . 21 ALA HB1 1 1 23 27204 1 1 21 ALA HB2 H 1.494 6.356 -10.789 1.00 . A A . 21 ALA HB2 1 1 23 27205 1 1 21 ALA HB3 H 2.189 5.157 -9.668 1.00 . A A . 21 ALA HB3 1 1 23 27206 1 1 21 ALA N N 0.126 3.637 -9.347 1.00 . A A . 21 ALA N 1 1 23 27207 1 1 21 ALA O O -1.801 5.607 -11.392 1.00 . A A . 21 ALA O 1 1 23 27208 1 1 22 GLU C C -2.995 3.462 -13.089 1.00 . A A . 22 GLU C 1 1 23 27209 1 1 22 GLU CA C -1.532 3.747 -13.415 1.00 . A A . 22 GLU CA 1 1 23 27210 1 1 22 GLU CB C -0.980 2.735 -14.443 1.00 . A A . 22 GLU CB 1 1 23 27211 1 1 22 GLU CD C -0.492 0.277 -14.959 1.00 . A A . 22 GLU CD 1 1 23 27212 1 1 22 GLU CG C -0.632 1.349 -13.890 1.00 . A A . 22 GLU CG 1 1 23 27213 1 1 22 GLU H H -0.080 3.110 -11.950 1.00 . A A . 22 GLU H 1 1 23 27214 1 1 22 GLU HA H -1.506 4.725 -13.900 1.00 . A A . 22 GLU HA 1 1 23 27215 1 1 22 GLU HB2 H -1.741 2.603 -15.214 1.00 . A A . 22 GLU HB2 1 1 23 27216 1 1 22 GLU HB3 H -0.085 3.144 -14.911 1.00 . A A . 22 GLU HB3 1 1 23 27217 1 1 22 GLU HG2 H 0.314 1.421 -13.368 1.00 . A A . 22 GLU HG2 1 1 23 27218 1 1 22 GLU HG3 H -1.405 1.005 -13.213 1.00 . A A . 22 GLU HG3 1 1 23 27219 1 1 22 GLU N N -0.726 3.839 -12.195 1.00 . A A . 22 GLU N 1 1 23 27220 1 1 22 GLU O O -3.890 4.042 -13.701 1.00 . A A . 22 GLU O 1 1 23 27221 1 1 22 GLU OE1 O -1.534 -0.030 -15.583 1.00 . A A . 22 GLU OE1 1 1 23 27222 1 1 22 GLU OE2 O 0.619 -0.277 -15.084 1.00 . A A . 22 GLU OE2 1 1 23 27223 1 1 23 LYS C C -5.298 3.281 -11.049 1.00 . A A . 23 LYS C 1 1 23 27224 1 1 23 LYS CA C -4.602 2.157 -11.814 1.00 . A A . 23 LYS CA 1 1 23 27225 1 1 23 LYS CB C -4.605 0.863 -10.995 1.00 . A A . 23 LYS CB 1 1 23 27226 1 1 23 LYS CD C -4.160 -0.541 -13.124 1.00 . A A . 23 LYS CD 1 1 23 27227 1 1 23 LYS CE C -3.466 -1.834 -13.579 1.00 . A A . 23 LYS CE 1 1 23 27228 1 1 23 LYS CG C -3.881 -0.332 -11.633 1.00 . A A . 23 LYS CG 1 1 23 27229 1 1 23 LYS H H -2.472 2.102 -11.672 1.00 . A A . 23 LYS H 1 1 23 27230 1 1 23 LYS HA H -5.167 1.981 -12.731 1.00 . A A . 23 LYS HA 1 1 23 27231 1 1 23 LYS HB2 H -4.135 1.067 -10.032 1.00 . A A . 23 LYS HB2 1 1 23 27232 1 1 23 LYS HB3 H -5.640 0.582 -10.811 1.00 . A A . 23 LYS HB3 1 1 23 27233 1 1 23 LYS HD2 H -5.236 -0.599 -13.293 1.00 . A A . 23 LYS HD2 1 1 23 27234 1 1 23 LYS HD3 H -3.750 0.308 -13.675 1.00 . A A . 23 LYS HD3 1 1 23 27235 1 1 23 LYS HE2 H -2.466 -1.878 -13.142 1.00 . A A . 23 LYS HE2 1 1 23 27236 1 1 23 LYS HE3 H -4.036 -2.696 -13.226 1.00 . A A . 23 LYS HE3 1 1 23 27237 1 1 23 LYS HG2 H -2.810 -0.205 -11.504 1.00 . A A . 23 LYS HG2 1 1 23 27238 1 1 23 LYS HG3 H -4.173 -1.222 -11.075 1.00 . A A . 23 LYS HG3 1 1 23 27239 1 1 23 LYS HZ1 H -2.712 -1.114 -15.337 1.00 . A A . 23 LYS HZ1 1 1 23 27240 1 1 23 LYS HZ2 H -2.842 -2.739 -15.317 1.00 . A A . 23 LYS HZ2 1 1 23 27241 1 1 23 LYS HZ3 H -4.196 -1.808 -15.515 1.00 . A A . 23 LYS HZ3 1 1 23 27242 1 1 23 LYS N N -3.248 2.545 -12.154 1.00 . A A . 23 LYS N 1 1 23 27243 1 1 23 LYS NZ N -3.309 -1.888 -15.044 1.00 . A A . 23 LYS NZ 1 1 23 27244 1 1 23 LYS O O -6.464 3.567 -11.316 1.00 . A A . 23 LYS O 1 1 23 27245 1 1 24 LEU C C -5.027 6.260 -9.642 1.00 . A A . 24 LEU C 1 1 23 27246 1 1 24 LEU CA C -5.225 4.824 -9.153 1.00 . A A . 24 LEU CA 1 1 23 27247 1 1 24 LEU CB C -4.693 4.626 -7.727 1.00 . A A . 24 LEU CB 1 1 23 27248 1 1 24 LEU CD1 C -3.769 3.090 -5.977 1.00 . A A . 24 LEU CD1 1 1 23 27249 1 1 24 LEU CD2 C -5.869 2.429 -7.210 1.00 . A A . 24 LEU CD2 1 1 23 27250 1 1 24 LEU CG C -4.530 3.154 -7.304 1.00 . A A . 24 LEU CG 1 1 23 27251 1 1 24 LEU H H -3.639 3.628 -9.901 1.00 . A A . 24 LEU H 1 1 23 27252 1 1 24 LEU HA H -6.299 4.635 -9.108 1.00 . A A . 24 LEU HA 1 1 23 27253 1 1 24 LEU HB2 H -3.733 5.134 -7.634 1.00 . A A . 24 LEU HB2 1 1 23 27254 1 1 24 LEU HB3 H -5.393 5.099 -7.041 1.00 . A A . 24 LEU HB3 1 1 23 27255 1 1 24 LEU HD11 H -3.531 2.054 -5.735 1.00 . A A . 24 LEU HD11 1 1 23 27256 1 1 24 LEU HD12 H -2.850 3.663 -6.066 1.00 . A A . 24 LEU HD12 1 1 23 27257 1 1 24 LEU HD13 H -4.349 3.525 -5.174 1.00 . A A . 24 LEU HD13 1 1 23 27258 1 1 24 LEU HD21 H -6.530 2.915 -6.495 1.00 . A A . 24 LEU HD21 1 1 23 27259 1 1 24 LEU HD22 H -6.351 2.398 -8.187 1.00 . A A . 24 LEU HD22 1 1 23 27260 1 1 24 LEU HD23 H -5.662 1.412 -6.892 1.00 . A A . 24 LEU HD23 1 1 23 27261 1 1 24 LEU HG H -3.937 2.597 -8.024 1.00 . A A . 24 LEU HG 1 1 23 27262 1 1 24 LEU N N -4.608 3.882 -10.073 1.00 . A A . 24 LEU N 1 1 23 27263 1 1 24 LEU O O -6.000 7.000 -9.754 1.00 . A A . 24 LEU O 1 1 23 27264 1 1 25 GLY C C -2.076 8.326 -9.880 1.00 . A A . 25 GLY C 1 1 23 27265 1 1 25 GLY CA C -3.447 7.975 -10.440 1.00 . A A . 25 GLY CA 1 1 23 27266 1 1 25 GLY H H -2.988 6.018 -9.919 1.00 . A A . 25 GLY H 1 1 23 27267 1 1 25 GLY HA2 H -3.400 7.940 -11.529 1.00 . A A . 25 GLY HA2 1 1 23 27268 1 1 25 GLY HA3 H -4.179 8.725 -10.136 1.00 . A A . 25 GLY HA3 1 1 23 27269 1 1 25 GLY N N -3.783 6.657 -9.936 1.00 . A A . 25 GLY N 1 1 23 27270 1 1 25 GLY O O -1.053 8.107 -10.526 1.00 . A A . 25 GLY O 1 1 23 27271 1 1 26 CYS C C -1.301 9.794 -6.562 1.00 . A A . 26 CYS C 1 1 23 27272 1 1 26 CYS CA C -0.857 9.210 -7.901 1.00 . A A . 26 CYS CA 1 1 23 27273 1 1 26 CYS CB C -0.033 10.238 -8.663 1.00 . A A . 26 CYS CB 1 1 23 27274 1 1 26 CYS H H -2.987 8.997 -8.229 1.00 . A A . 26 CYS H 1 1 23 27275 1 1 26 CYS HA H -0.281 8.305 -7.719 1.00 . A A . 26 CYS HA 1 1 23 27276 1 1 26 CYS HB2 H -0.017 10.072 -9.735 1.00 . A A . 26 CYS HB2 1 1 23 27277 1 1 26 CYS HB3 H -0.431 11.241 -8.513 1.00 . A A . 26 CYS HB3 1 1 23 27278 1 1 26 CYS N N -2.063 8.840 -8.652 1.00 . A A . 26 CYS N 1 1 23 27279 1 1 26 CYS O O -0.942 9.330 -5.476 1.00 . A A . 26 CYS O 1 1 23 27280 1 1 26 CYS SG S 1.683 10.224 -8.099 1.00 . A A . 26 CYS SG 1 1 23 27281 1 1 27 ASP C C -3.524 10.461 -4.691 1.00 . A A . 27 ASP C 1 1 23 27282 1 1 27 ASP CA C -3.044 11.437 -5.758 1.00 . A A . 27 ASP CA 1 1 23 27283 1 1 27 ASP CB C -4.245 12.000 -6.542 1.00 . A A . 27 ASP CB 1 1 23 27284 1 1 27 ASP CG C -5.013 10.958 -7.370 1.00 . A A . 27 ASP CG 1 1 23 27285 1 1 27 ASP H H -2.544 10.793 -7.665 1.00 . A A . 27 ASP H 1 1 23 27286 1 1 27 ASP HA H -2.509 12.257 -5.280 1.00 . A A . 27 ASP HA 1 1 23 27287 1 1 27 ASP HB2 H -4.937 12.453 -5.832 1.00 . A A . 27 ASP HB2 1 1 23 27288 1 1 27 ASP HB3 H -3.897 12.779 -7.222 1.00 . A A . 27 ASP HB3 1 1 23 27289 1 1 27 ASP N N -2.169 10.790 -6.721 1.00 . A A . 27 ASP N 1 1 23 27290 1 1 27 ASP O O -3.491 10.760 -3.501 1.00 . A A . 27 ASP O 1 1 23 27291 1 1 27 ASP OD1 O -4.385 9.934 -7.747 1.00 . A A . 27 ASP OD1 1 1 23 27292 1 1 27 ASP OD2 O -6.210 11.209 -7.611 1.00 . A A . 27 ASP OD2 1 1 23 27293 1 1 28 ALA C C -3.637 7.889 -3.125 1.00 . A A . 28 ALA C 1 1 23 27294 1 1 28 ALA CA C -4.459 8.169 -4.383 1.00 . A A . 28 ALA CA 1 1 23 27295 1 1 28 ALA CB C -4.492 6.949 -5.299 1.00 . A A . 28 ALA CB 1 1 23 27296 1 1 28 ALA H H -3.976 9.220 -6.169 1.00 . A A . 28 ALA H 1 1 23 27297 1 1 28 ALA HA H -5.481 8.408 -4.085 1.00 . A A . 28 ALA HA 1 1 23 27298 1 1 28 ALA HB1 H -3.479 6.683 -5.602 1.00 . A A . 28 ALA HB1 1 1 23 27299 1 1 28 ALA HB2 H -4.948 6.109 -4.777 1.00 . A A . 28 ALA HB2 1 1 23 27300 1 1 28 ALA HB3 H -5.083 7.190 -6.184 1.00 . A A . 28 ALA HB3 1 1 23 27301 1 1 28 ALA N N -3.950 9.286 -5.154 1.00 . A A . 28 ALA N 1 1 23 27302 1 1 28 ALA O O -4.198 7.469 -2.115 1.00 . A A . 28 ALA O 1 1 23 27303 1 1 29 CYS C C -0.825 9.459 -1.812 1.00 . A A . 29 CYS C 1 1 23 27304 1 1 29 CYS CA C -1.444 8.080 -2.030 1.00 . A A . 29 CYS CA 1 1 23 27305 1 1 29 CYS CB C -0.365 7.050 -2.230 1.00 . A A . 29 CYS CB 1 1 23 27306 1 1 29 CYS H H -1.942 8.452 -4.074 1.00 . A A . 29 CYS H 1 1 23 27307 1 1 29 CYS HA H -2.000 7.819 -1.127 1.00 . A A . 29 CYS HA 1 1 23 27308 1 1 29 CYS HB2 H 0.269 7.356 -3.062 1.00 . A A . 29 CYS HB2 1 1 23 27309 1 1 29 CYS HB3 H 0.244 6.987 -1.327 1.00 . A A . 29 CYS HB3 1 1 23 27310 1 1 29 CYS N N -2.321 8.113 -3.194 1.00 . A A . 29 CYS N 1 1 23 27311 1 1 29 CYS O O -0.834 10.001 -0.709 1.00 . A A . 29 CYS O 1 1 23 27312 1 1 29 CYS SG S -1.076 5.417 -2.588 1.00 . A A . 29 CYS SG 1 1 23 27313 1 1 30 HIS C C -0.350 12.443 -2.883 1.00 . A A . 30 HIS C 1 1 23 27314 1 1 30 HIS CA C 0.555 11.231 -2.753 1.00 . A A . 30 HIS CA 1 1 23 27315 1 1 30 HIS CB C 1.654 11.225 -3.810 1.00 . A A . 30 HIS CB 1 1 23 27316 1 1 30 HIS CD2 C 3.016 9.114 -4.217 1.00 . A A . 30 HIS CD2 1 1 23 27317 1 1 30 HIS CE1 C 4.530 9.305 -2.655 1.00 . A A . 30 HIS CE1 1 1 23 27318 1 1 30 HIS CG C 2.721 10.222 -3.493 1.00 . A A . 30 HIS CG 1 1 23 27319 1 1 30 HIS H H -0.361 9.613 -3.785 1.00 . A A . 30 HIS H 1 1 23 27320 1 1 30 HIS HA H 1.038 11.283 -1.776 1.00 . A A . 30 HIS HA 1 1 23 27321 1 1 30 HIS HB2 H 1.215 11.024 -4.790 1.00 . A A . 30 HIS HB2 1 1 23 27322 1 1 30 HIS HB3 H 2.098 12.217 -3.851 1.00 . A A . 30 HIS HB3 1 1 23 27323 1 1 30 HIS HD1 H 3.724 11.087 -1.846 1.00 . A A . 30 HIS HD1 1 1 23 27324 1 1 30 HIS HD2 H 2.485 8.763 -5.078 1.00 . A A . 30 HIS HD2 1 1 23 27325 1 1 30 HIS HE1 H 5.415 9.105 -2.075 1.00 . A A . 30 HIS HE1 1 1 23 27326 1 1 30 HIS N N -0.233 10.023 -2.865 1.00 . A A . 30 HIS N 1 1 23 27327 1 1 30 HIS ND1 N 3.672 10.333 -2.508 1.00 . A A . 30 HIS ND1 1 1 23 27328 1 1 30 HIS NE2 N 4.170 8.543 -3.690 1.00 . A A . 30 HIS NE2 1 1 23 27329 1 1 30 HIS O O -0.340 13.114 -3.915 1.00 . A A . 30 HIS O 1 1 23 27330 1 1 31 GLU C C -1.278 15.137 -2.212 1.00 . A A . 31 GLU C 1 1 23 27331 1 1 31 GLU CA C -1.979 13.870 -1.735 1.00 . A A . 31 GLU CA 1 1 23 27332 1 1 31 GLU CB C -2.539 14.030 -0.322 1.00 . A A . 31 GLU CB 1 1 23 27333 1 1 31 GLU CD C -4.251 12.976 1.215 1.00 . A A . 31 GLU CD 1 1 23 27334 1 1 31 GLU CG C -3.778 13.143 -0.225 1.00 . A A . 31 GLU CG 1 1 23 27335 1 1 31 GLU H H -1.083 12.046 -1.054 1.00 . A A . 31 GLU H 1 1 23 27336 1 1 31 GLU HA H -2.816 13.668 -2.407 1.00 . A A . 31 GLU HA 1 1 23 27337 1 1 31 GLU HB2 H -1.795 13.743 0.424 1.00 . A A . 31 GLU HB2 1 1 23 27338 1 1 31 GLU HB3 H -2.842 15.061 -0.136 1.00 . A A . 31 GLU HB3 1 1 23 27339 1 1 31 GLU HG2 H -4.584 13.594 -0.799 1.00 . A A . 31 GLU HG2 1 1 23 27340 1 1 31 GLU HG3 H -3.549 12.188 -0.693 1.00 . A A . 31 GLU HG3 1 1 23 27341 1 1 31 GLU N N -1.100 12.716 -1.817 1.00 . A A . 31 GLU N 1 1 23 27342 1 1 31 GLU O O -0.287 15.591 -1.642 1.00 . A A . 31 GLU O 1 1 23 27343 1 1 31 GLU OE1 O -4.133 13.970 1.964 1.00 . A A . 31 GLU OE1 1 1 23 27344 1 1 31 GLU OE2 O -4.731 11.870 1.537 1.00 . A A . 31 GLU OE2 1 1 23 27345 1 1 32 GLY C C 0.036 16.496 -4.721 1.00 . A A . 32 GLY C 1 1 23 27346 1 1 32 GLY CA C -1.259 16.838 -3.980 1.00 . A A . 32 GLY CA 1 1 23 27347 1 1 32 GLY H H -2.609 15.190 -3.679 1.00 . A A . 32 GLY H 1 1 23 27348 1 1 32 GLY HA2 H -1.992 17.198 -4.701 1.00 . A A . 32 GLY HA2 1 1 23 27349 1 1 32 GLY HA3 H -1.065 17.636 -3.261 1.00 . A A . 32 GLY HA3 1 1 23 27350 1 1 32 GLY N N -1.813 15.683 -3.297 1.00 . A A . 32 GLY N 1 1 23 27351 1 1 32 GLY O O 0.070 16.550 -5.949 1.00 . A A . 32 GLY O 1 1 23 27352 1 1 33 THR C C 3.193 14.927 -3.699 1.00 . A A . 33 THR C 1 1 23 27353 1 1 33 THR CA C 2.447 15.984 -4.528 1.00 . A A . 33 THR CA 1 1 23 27354 1 1 33 THR CB C 3.220 17.316 -4.530 1.00 . A A . 33 THR CB 1 1 23 27355 1 1 33 THR CG2 C 2.704 18.285 -5.599 1.00 . A A . 33 THR CG2 1 1 23 27356 1 1 33 THR H H 0.995 16.104 -2.978 1.00 . A A . 33 THR H 1 1 23 27357 1 1 33 THR HA H 2.356 15.624 -5.552 1.00 . A A . 33 THR HA 1 1 23 27358 1 1 33 THR HB H 4.273 17.112 -4.735 1.00 . A A . 33 THR HB 1 1 23 27359 1 1 33 THR HG1 H 3.628 18.756 -3.275 1.00 . A A . 33 THR HG1 1 1 23 27360 1 1 33 THR HG21 H 2.694 17.797 -6.574 1.00 . A A . 33 THR HG21 1 1 23 27361 1 1 33 THR HG22 H 1.695 18.620 -5.357 1.00 . A A . 33 THR HG22 1 1 23 27362 1 1 33 THR HG23 H 3.356 19.158 -5.649 1.00 . A A . 33 THR HG23 1 1 23 27363 1 1 33 THR N N 1.108 16.193 -3.985 1.00 . A A . 33 THR N 1 1 23 27364 1 1 33 THR O O 2.899 14.760 -2.516 1.00 . A A . 33 THR O 1 1 23 27365 1 1 33 THR OG1 O 3.111 17.948 -3.270 1.00 . A A . 33 THR OG1 1 1 23 27366 1 1 34 PRO C C 6.106 13.793 -2.831 1.00 . A A . 34 PRO C 1 1 23 27367 1 1 34 PRO CA C 4.917 13.185 -3.577 1.00 . A A . 34 PRO CA 1 1 23 27368 1 1 34 PRO CB C 5.371 12.177 -4.628 1.00 . A A . 34 PRO CB 1 1 23 27369 1 1 34 PRO CD C 4.424 14.104 -5.715 1.00 . A A . 34 PRO CD 1 1 23 27370 1 1 34 PRO CG C 5.533 13.056 -5.853 1.00 . A A . 34 PRO CG 1 1 23 27371 1 1 34 PRO HA H 4.284 12.678 -2.872 1.00 . A A . 34 PRO HA 1 1 23 27372 1 1 34 PRO HB2 H 6.291 11.658 -4.352 1.00 . A A . 34 PRO HB2 1 1 23 27373 1 1 34 PRO HB3 H 4.585 11.457 -4.841 1.00 . A A . 34 PRO HB3 1 1 23 27374 1 1 34 PRO HD2 H 4.750 15.061 -6.125 1.00 . A A . 34 PRO HD2 1 1 23 27375 1 1 34 PRO HD3 H 3.536 13.749 -6.242 1.00 . A A . 34 PRO HD3 1 1 23 27376 1 1 34 PRO HG2 H 6.507 13.532 -5.784 1.00 . A A . 34 PRO HG2 1 1 23 27377 1 1 34 PRO HG3 H 5.433 12.457 -6.752 1.00 . A A . 34 PRO HG3 1 1 23 27378 1 1 34 PRO N N 4.143 14.185 -4.292 1.00 . A A . 34 PRO N 1 1 23 27379 1 1 34 PRO O O 6.761 14.707 -3.330 1.00 . A A . 34 PRO O 1 1 23 27380 1 1 35 ALA C C 7.772 12.447 0.164 1.00 . A A . 35 ALA C 1 1 23 27381 1 1 35 ALA CA C 7.557 13.593 -0.830 1.00 . A A . 35 ALA CA 1 1 23 27382 1 1 35 ALA CB C 7.294 14.927 -0.117 1.00 . A A . 35 ALA CB 1 1 23 27383 1 1 35 ALA H H 5.803 12.524 -1.276 1.00 . A A . 35 ALA H 1 1 23 27384 1 1 35 ALA HA H 8.444 13.692 -1.456 1.00 . A A . 35 ALA HA 1 1 23 27385 1 1 35 ALA HB1 H 6.403 14.848 0.507 1.00 . A A . 35 ALA HB1 1 1 23 27386 1 1 35 ALA HB2 H 8.149 15.186 0.508 1.00 . A A . 35 ALA HB2 1 1 23 27387 1 1 35 ALA HB3 H 7.143 15.721 -0.850 1.00 . A A . 35 ALA HB3 1 1 23 27388 1 1 35 ALA N N 6.404 13.244 -1.649 1.00 . A A . 35 ALA N 1 1 23 27389 1 1 35 ALA O O 7.768 12.660 1.374 1.00 . A A . 35 ALA O 1 1 23 27390 1 1 36 LYS C C 6.236 9.942 0.972 1.00 . A A . 36 LYS C 1 1 23 27391 1 1 36 LYS CA C 7.634 9.980 0.351 1.00 . A A . 36 LYS CA 1 1 23 27392 1 1 36 LYS CB C 8.745 9.697 1.371 1.00 . A A . 36 LYS CB 1 1 23 27393 1 1 36 LYS CD C 11.183 9.025 1.593 1.00 . A A . 36 LYS CD 1 1 23 27394 1 1 36 LYS CE C 10.991 7.588 2.088 1.00 . A A . 36 LYS CE 1 1 23 27395 1 1 36 LYS CG C 10.060 9.414 0.635 1.00 . A A . 36 LYS CG 1 1 23 27396 1 1 36 LYS H H 8.072 11.125 -1.346 1.00 . A A . 36 LYS H 1 1 23 27397 1 1 36 LYS HA H 7.632 9.180 -0.386 1.00 . A A . 36 LYS HA 1 1 23 27398 1 1 36 LYS HB2 H 8.874 10.541 2.049 1.00 . A A . 36 LYS HB2 1 1 23 27399 1 1 36 LYS HB3 H 8.456 8.839 1.971 1.00 . A A . 36 LYS HB3 1 1 23 27400 1 1 36 LYS HD2 H 12.148 9.120 1.089 1.00 . A A . 36 LYS HD2 1 1 23 27401 1 1 36 LYS HD3 H 11.172 9.713 2.441 1.00 . A A . 36 LYS HD3 1 1 23 27402 1 1 36 LYS HE2 H 11.497 7.509 3.038 1.00 . A A . 36 LYS HE2 1 1 23 27403 1 1 36 LYS HE3 H 9.943 7.360 2.276 1.00 . A A . 36 LYS HE3 1 1 23 27404 1 1 36 LYS HG2 H 9.907 8.590 -0.056 1.00 . A A . 36 LYS HG2 1 1 23 27405 1 1 36 LYS HG3 H 10.362 10.305 0.082 1.00 . A A . 36 LYS HG3 1 1 23 27406 1 1 36 LYS HZ1 H 12.516 6.529 1.133 1.00 . A A . 36 LYS HZ1 1 1 23 27407 1 1 36 LYS HZ2 H 11.152 5.660 1.476 1.00 . A A . 36 LYS HZ2 1 1 23 27408 1 1 36 LYS HZ3 H 11.168 6.682 0.208 1.00 . A A . 36 LYS HZ3 1 1 23 27409 1 1 36 LYS N N 7.897 11.220 -0.363 1.00 . A A . 36 LYS N 1 1 23 27410 1 1 36 LYS NZ N 11.512 6.562 1.160 1.00 . A A . 36 LYS NZ 1 1 23 27411 1 1 36 LYS O O 5.482 10.912 0.923 1.00 . A A . 36 LYS O 1 1 23 27412 1 1 37 ILE C C 5.461 8.144 3.814 1.00 . A A . 37 ILE C 1 1 23 27413 1 1 37 ILE CA C 4.831 8.626 2.510 1.00 . A A . 37 ILE CA 1 1 23 27414 1 1 37 ILE CB C 3.746 7.642 2.047 1.00 . A A . 37 ILE CB 1 1 23 27415 1 1 37 ILE CD1 C 2.469 9.100 0.355 1.00 . A A . 37 ILE CD1 1 1 23 27416 1 1 37 ILE CG1 C 3.307 7.842 0.591 1.00 . A A . 37 ILE CG1 1 1 23 27417 1 1 37 ILE CG2 C 2.545 7.685 3.001 1.00 . A A . 37 ILE CG2 1 1 23 27418 1 1 37 ILE H H 6.491 7.980 1.327 1.00 . A A . 37 ILE H 1 1 23 27419 1 1 37 ILE HA H 4.372 9.587 2.710 1.00 . A A . 37 ILE HA 1 1 23 27420 1 1 37 ILE HB H 4.163 6.641 2.101 1.00 . A A . 37 ILE HB 1 1 23 27421 1 1 37 ILE HD11 H 3.040 9.990 0.614 1.00 . A A . 37 ILE HD11 1 1 23 27422 1 1 37 ILE HD12 H 2.187 9.139 -0.695 1.00 . A A . 37 ILE HD12 1 1 23 27423 1 1 37 ILE HD13 H 1.553 9.070 0.944 1.00 . A A . 37 ILE HD13 1 1 23 27424 1 1 37 ILE HG12 H 4.191 7.861 -0.042 1.00 . A A . 37 ILE HG12 1 1 23 27425 1 1 37 ILE HG13 H 2.715 6.981 0.294 1.00 . A A . 37 ILE HG13 1 1 23 27426 1 1 37 ILE HG21 H 1.757 7.028 2.632 1.00 . A A . 37 ILE HG21 1 1 23 27427 1 1 37 ILE HG22 H 2.847 7.351 3.992 1.00 . A A . 37 ILE HG22 1 1 23 27428 1 1 37 ILE HG23 H 2.155 8.698 3.089 1.00 . A A . 37 ILE HG23 1 1 23 27429 1 1 37 ILE N N 5.892 8.772 1.517 1.00 . A A . 37 ILE N 1 1 23 27430 1 1 37 ILE O O 5.230 8.715 4.874 1.00 . A A . 37 ILE O 1 1 23 27431 1 1 38 ALA C C 5.783 5.539 5.502 1.00 . A A . 38 ALA C 1 1 23 27432 1 1 38 ALA CA C 6.866 6.307 4.756 1.00 . A A . 38 ALA CA 1 1 23 27433 1 1 38 ALA CB C 7.722 7.181 5.665 1.00 . A A . 38 ALA CB 1 1 23 27434 1 1 38 ALA H H 6.304 6.691 2.765 1.00 . A A . 38 ALA H 1 1 23 27435 1 1 38 ALA HA H 7.545 5.586 4.299 1.00 . A A . 38 ALA HA 1 1 23 27436 1 1 38 ALA HB1 H 7.104 7.869 6.240 1.00 . A A . 38 ALA HB1 1 1 23 27437 1 1 38 ALA HB2 H 8.265 6.537 6.356 1.00 . A A . 38 ALA HB2 1 1 23 27438 1 1 38 ALA HB3 H 8.416 7.736 5.036 1.00 . A A . 38 ALA HB3 1 1 23 27439 1 1 38 ALA N N 6.254 7.077 3.687 1.00 . A A . 38 ALA N 1 1 23 27440 1 1 38 ALA O O 5.274 5.984 6.526 1.00 . A A . 38 ALA O 1 1 23 27441 1 1 39 ILE C C 5.088 2.462 6.383 1.00 . A A . 39 ILE C 1 1 23 27442 1 1 39 ILE CA C 4.405 3.523 5.527 1.00 . A A . 39 ILE CA 1 1 23 27443 1 1 39 ILE CB C 3.514 2.946 4.422 1.00 . A A . 39 ILE CB 1 1 23 27444 1 1 39 ILE CD1 C 1.774 4.817 4.791 1.00 . A A . 39 ILE CD1 1 1 23 27445 1 1 39 ILE CG1 C 2.647 4.048 3.793 1.00 . A A . 39 ILE CG1 1 1 23 27446 1 1 39 ILE CG2 C 2.653 1.798 4.955 1.00 . A A . 39 ILE CG2 1 1 23 27447 1 1 39 ILE H H 5.873 4.074 4.106 1.00 . A A . 39 ILE H 1 1 23 27448 1 1 39 ILE HA H 3.766 4.095 6.195 1.00 . A A . 39 ILE HA 1 1 23 27449 1 1 39 ILE HB H 4.147 2.542 3.635 1.00 . A A . 39 ILE HB 1 1 23 27450 1 1 39 ILE HD11 H 1.295 4.124 5.476 1.00 . A A . 39 ILE HD11 1 1 23 27451 1 1 39 ILE HD12 H 2.369 5.529 5.362 1.00 . A A . 39 ILE HD12 1 1 23 27452 1 1 39 ILE HD13 H 1.008 5.371 4.250 1.00 . A A . 39 ILE HD13 1 1 23 27453 1 1 39 ILE HG12 H 3.289 4.762 3.280 1.00 . A A . 39 ILE HG12 1 1 23 27454 1 1 39 ILE HG13 H 1.997 3.585 3.057 1.00 . A A . 39 ILE HG13 1 1 23 27455 1 1 39 ILE HG21 H 1.838 1.577 4.271 1.00 . A A . 39 ILE HG21 1 1 23 27456 1 1 39 ILE HG22 H 3.268 0.903 5.054 1.00 . A A . 39 ILE HG22 1 1 23 27457 1 1 39 ILE HG23 H 2.244 2.064 5.927 1.00 . A A . 39 ILE HG23 1 1 23 27458 1 1 39 ILE N N 5.405 4.392 4.941 1.00 . A A . 39 ILE N 1 1 23 27459 1 1 39 ILE O O 5.750 1.565 5.867 1.00 . A A . 39 ILE O 1 1 23 27460 1 1 40 ASP C C 4.161 0.722 9.012 1.00 . A A . 40 ASP C 1 1 23 27461 1 1 40 ASP CA C 5.321 1.659 8.720 1.00 . A A . 40 ASP CA 1 1 23 27462 1 1 40 ASP CB C 5.608 2.383 10.051 1.00 . A A . 40 ASP CB 1 1 23 27463 1 1 40 ASP CG C 6.308 3.724 9.930 1.00 . A A . 40 ASP CG 1 1 23 27464 1 1 40 ASP H H 4.265 3.324 7.988 1.00 . A A . 40 ASP H 1 1 23 27465 1 1 40 ASP HA H 6.208 1.119 8.385 1.00 . A A . 40 ASP HA 1 1 23 27466 1 1 40 ASP HB2 H 4.668 2.571 10.569 1.00 . A A . 40 ASP HB2 1 1 23 27467 1 1 40 ASP HB3 H 6.218 1.739 10.682 1.00 . A A . 40 ASP HB3 1 1 23 27468 1 1 40 ASP N N 4.879 2.583 7.692 1.00 . A A . 40 ASP N 1 1 23 27469 1 1 40 ASP O O 3.007 1.095 8.782 1.00 . A A . 40 ASP O 1 1 23 27470 1 1 40 ASP OD1 O 5.570 4.701 9.678 1.00 . A A . 40 ASP OD1 1 1 23 27471 1 1 40 ASP OD2 O 7.534 3.752 10.165 1.00 . A A . 40 ASP OD2 1 1 23 27472 1 1 41 LYS C C 2.277 -0.575 10.882 1.00 . A A . 41 LYS C 1 1 23 27473 1 1 41 LYS CA C 3.557 -1.266 10.401 1.00 . A A . 41 LYS CA 1 1 23 27474 1 1 41 LYS CB C 4.314 -1.897 11.583 1.00 . A A . 41 LYS CB 1 1 23 27475 1 1 41 LYS CD C 6.674 -0.957 11.968 1.00 . A A . 41 LYS CD 1 1 23 27476 1 1 41 LYS CE C 7.600 -0.175 12.906 1.00 . A A . 41 LYS CE 1 1 23 27477 1 1 41 LYS CG C 5.216 -1.011 12.465 1.00 . A A . 41 LYS CG 1 1 23 27478 1 1 41 LYS H H 5.430 -0.726 9.580 1.00 . A A . 41 LYS H 1 1 23 27479 1 1 41 LYS HA H 3.233 -2.068 9.738 1.00 . A A . 41 LYS HA 1 1 23 27480 1 1 41 LYS HB2 H 3.557 -2.346 12.211 1.00 . A A . 41 LYS HB2 1 1 23 27481 1 1 41 LYS HB3 H 4.933 -2.705 11.223 1.00 . A A . 41 LYS HB3 1 1 23 27482 1 1 41 LYS HD2 H 7.061 -1.966 11.804 1.00 . A A . 41 LYS HD2 1 1 23 27483 1 1 41 LYS HD3 H 6.729 -0.439 11.015 1.00 . A A . 41 LYS HD3 1 1 23 27484 1 1 41 LYS HE2 H 8.548 -0.014 12.387 1.00 . A A . 41 LYS HE2 1 1 23 27485 1 1 41 LYS HE3 H 7.164 0.804 13.117 1.00 . A A . 41 LYS HE3 1 1 23 27486 1 1 41 LYS HG2 H 4.817 -0.003 12.555 1.00 . A A . 41 LYS HG2 1 1 23 27487 1 1 41 LYS HG3 H 5.206 -1.468 13.455 1.00 . A A . 41 LYS HG3 1 1 23 27488 1 1 41 LYS HZ1 H 8.513 -0.373 14.727 1.00 . A A . 41 LYS HZ1 1 1 23 27489 1 1 41 LYS HZ2 H 7.009 -1.039 14.675 1.00 . A A . 41 LYS HZ2 1 1 23 27490 1 1 41 LYS HZ3 H 8.273 -1.805 13.950 1.00 . A A . 41 LYS HZ3 1 1 23 27491 1 1 41 LYS N N 4.464 -0.407 9.656 1.00 . A A . 41 LYS N 1 1 23 27492 1 1 41 LYS NZ N 7.867 -0.903 14.160 1.00 . A A . 41 LYS NZ 1 1 23 27493 1 1 41 LYS O O 1.174 -1.085 10.687 1.00 . A A . 41 LYS O 1 1 23 27494 1 1 42 LYS C C 0.409 1.815 10.940 1.00 . A A . 42 LYS C 1 1 23 27495 1 1 42 LYS CA C 1.332 1.348 12.076 1.00 . A A . 42 LYS CA 1 1 23 27496 1 1 42 LYS CB C 1.909 2.496 12.928 1.00 . A A . 42 LYS CB 1 1 23 27497 1 1 42 LYS CD C 1.465 4.100 14.800 1.00 . A A . 42 LYS CD 1 1 23 27498 1 1 42 LYS CE C 0.691 4.397 16.093 1.00 . A A . 42 LYS CE 1 1 23 27499 1 1 42 LYS CG C 0.990 2.815 14.106 1.00 . A A . 42 LYS CG 1 1 23 27500 1 1 42 LYS H H 3.368 0.928 11.624 1.00 . A A . 42 LYS H 1 1 23 27501 1 1 42 LYS HA H 0.763 0.681 12.726 1.00 . A A . 42 LYS HA 1 1 23 27502 1 1 42 LYS HB2 H 2.871 2.191 13.345 1.00 . A A . 42 LYS HB2 1 1 23 27503 1 1 42 LYS HB3 H 2.078 3.392 12.332 1.00 . A A . 42 LYS HB3 1 1 23 27504 1 1 42 LYS HD2 H 2.537 4.045 15.002 1.00 . A A . 42 LYS HD2 1 1 23 27505 1 1 42 LYS HD3 H 1.305 4.931 14.105 1.00 . A A . 42 LYS HD3 1 1 23 27506 1 1 42 LYS HE2 H 0.919 5.419 16.404 1.00 . A A . 42 LYS HE2 1 1 23 27507 1 1 42 LYS HE3 H -0.381 4.334 15.897 1.00 . A A . 42 LYS HE3 1 1 23 27508 1 1 42 LYS HG2 H -0.029 2.946 13.738 1.00 . A A . 42 LYS HG2 1 1 23 27509 1 1 42 LYS HG3 H 1.027 1.955 14.774 1.00 . A A . 42 LYS HG3 1 1 23 27510 1 1 42 LYS HZ1 H 2.042 3.561 17.400 1.00 . A A . 42 LYS HZ1 1 1 23 27511 1 1 42 LYS HZ2 H 0.532 3.720 18.025 1.00 . A A . 42 LYS HZ2 1 1 23 27512 1 1 42 LYS HZ3 H 0.845 2.525 16.943 1.00 . A A . 42 LYS HZ3 1 1 23 27513 1 1 42 LYS N N 2.432 0.572 11.541 1.00 . A A . 42 LYS N 1 1 23 27514 1 1 42 LYS NZ N 1.055 3.481 17.193 1.00 . A A . 42 LYS NZ 1 1 23 27515 1 1 42 LYS O O -0.669 1.259 10.742 1.00 . A A . 42 LYS O 1 1 23 27516 1 1 43 SER C C -0.490 2.415 8.149 1.00 . A A . 43 SER C 1 1 23 27517 1 1 43 SER CA C 0.077 3.458 9.113 1.00 . A A . 43 SER CA 1 1 23 27518 1 1 43 SER CB C 1.035 4.413 8.401 1.00 . A A . 43 SER CB 1 1 23 27519 1 1 43 SER H H 1.729 3.264 10.369 1.00 . A A . 43 SER H 1 1 23 27520 1 1 43 SER HA H -0.736 4.042 9.545 1.00 . A A . 43 SER HA 1 1 23 27521 1 1 43 SER HB2 H 1.757 3.847 7.811 1.00 . A A . 43 SER HB2 1 1 23 27522 1 1 43 SER HB3 H 0.464 5.063 7.740 1.00 . A A . 43 SER HB3 1 1 23 27523 1 1 43 SER HG H 2.487 5.609 8.973 1.00 . A A . 43 SER HG 1 1 23 27524 1 1 43 SER N N 0.829 2.836 10.190 1.00 . A A . 43 SER N 1 1 23 27525 1 1 43 SER O O -1.677 2.428 7.819 1.00 . A A . 43 SER O 1 1 23 27526 1 1 43 SER OG O 1.743 5.153 9.383 1.00 . A A . 43 SER OG 1 1 23 27527 1 1 44 ALA C C -1.221 -0.314 7.223 1.00 . A A . 44 ALA C 1 1 23 27528 1 1 44 ALA CA C 0.131 0.330 6.920 1.00 . A A . 44 ALA CA 1 1 23 27529 1 1 44 ALA CB C 1.259 -0.651 7.208 1.00 . A A . 44 ALA CB 1 1 23 27530 1 1 44 ALA H H 1.329 1.557 8.131 1.00 . A A . 44 ALA H 1 1 23 27531 1 1 44 ALA HA H 0.180 0.568 5.861 1.00 . A A . 44 ALA HA 1 1 23 27532 1 1 44 ALA HB1 H 2.193 -0.285 6.773 1.00 . A A . 44 ALA HB1 1 1 23 27533 1 1 44 ALA HB2 H 1.409 -0.759 8.275 1.00 . A A . 44 ALA HB2 1 1 23 27534 1 1 44 ALA HB3 H 0.968 -1.616 6.818 1.00 . A A . 44 ALA HB3 1 1 23 27535 1 1 44 ALA N N 0.390 1.499 7.740 1.00 . A A . 44 ALA N 1 1 23 27536 1 1 44 ALA O O -2.107 -0.378 6.362 1.00 . A A . 44 ALA O 1 1 23 27537 1 1 45 HIS C C -3.580 -0.581 9.420 1.00 . A A . 45 HIS C 1 1 23 27538 1 1 45 HIS CA C -2.484 -1.540 8.952 1.00 . A A . 45 HIS CA 1 1 23 27539 1 1 45 HIS CB C -2.063 -2.471 10.099 1.00 . A A . 45 HIS CB 1 1 23 27540 1 1 45 HIS CD2 C -0.666 -4.227 8.799 1.00 . A A . 45 HIS CD2 1 1 23 27541 1 1 45 HIS CE1 C -1.452 -6.046 9.726 1.00 . A A . 45 HIS CE1 1 1 23 27542 1 1 45 HIS CG C -1.650 -3.864 9.686 1.00 . A A . 45 HIS CG 1 1 23 27543 1 1 45 HIS H H -0.572 -0.623 9.108 1.00 . A A . 45 HIS H 1 1 23 27544 1 1 45 HIS HA H -2.898 -2.154 8.152 1.00 . A A . 45 HIS HA 1 1 23 27545 1 1 45 HIS HB2 H -1.266 -2.011 10.685 1.00 . A A . 45 HIS HB2 1 1 23 27546 1 1 45 HIS HB3 H -2.920 -2.593 10.764 1.00 . A A . 45 HIS HB3 1 1 23 27547 1 1 45 HIS HD1 H -2.826 -5.075 10.986 1.00 . A A . 45 HIS HD1 1 1 23 27548 1 1 45 HIS HD2 H -0.056 -3.548 8.226 1.00 . A A . 45 HIS HD2 1 1 23 27549 1 1 45 HIS HE1 H -1.589 -7.069 10.025 1.00 . A A . 45 HIS HE1 1 1 23 27550 1 1 45 HIS N N -1.330 -0.811 8.458 1.00 . A A . 45 HIS N 1 1 23 27551 1 1 45 HIS ND1 N -2.131 -5.017 10.257 1.00 . A A . 45 HIS ND1 1 1 23 27552 1 1 45 HIS NE2 N -0.548 -5.627 8.827 1.00 . A A . 45 HIS NE2 1 1 23 27553 1 1 45 HIS O O -4.738 -0.986 9.494 1.00 . A A . 45 HIS O 1 1 23 27554 1 1 46 LYS C C -5.149 1.988 9.137 1.00 . A A . 46 LYS C 1 1 23 27555 1 1 46 LYS CA C -4.190 1.631 10.271 1.00 . A A . 46 LYS CA 1 1 23 27556 1 1 46 LYS CB C -3.435 2.831 10.866 1.00 . A A . 46 LYS CB 1 1 23 27557 1 1 46 LYS CD C -5.070 4.779 10.629 1.00 . A A . 46 LYS CD 1 1 23 27558 1 1 46 LYS CE C -5.560 6.073 11.293 1.00 . A A . 46 LYS CE 1 1 23 27559 1 1 46 LYS CG C -4.298 3.874 11.592 1.00 . A A . 46 LYS CG 1 1 23 27560 1 1 46 LYS H H -2.261 0.953 9.682 1.00 . A A . 46 LYS H 1 1 23 27561 1 1 46 LYS HA H -4.765 1.164 11.073 1.00 . A A . 46 LYS HA 1 1 23 27562 1 1 46 LYS HB2 H -2.746 2.436 11.613 1.00 . A A . 46 LYS HB2 1 1 23 27563 1 1 46 LYS HB3 H -2.845 3.322 10.094 1.00 . A A . 46 LYS HB3 1 1 23 27564 1 1 46 LYS HD2 H -4.392 5.050 9.819 1.00 . A A . 46 LYS HD2 1 1 23 27565 1 1 46 LYS HD3 H -5.925 4.236 10.225 1.00 . A A . 46 LYS HD3 1 1 23 27566 1 1 46 LYS HE2 H -6.139 5.834 12.186 1.00 . A A . 46 LYS HE2 1 1 23 27567 1 1 46 LYS HE3 H -4.692 6.669 11.581 1.00 . A A . 46 LYS HE3 1 1 23 27568 1 1 46 LYS HG2 H -4.982 3.374 12.278 1.00 . A A . 46 LYS HG2 1 1 23 27569 1 1 46 LYS HG3 H -3.612 4.497 12.166 1.00 . A A . 46 LYS HG3 1 1 23 27570 1 1 46 LYS HZ1 H -6.597 7.788 10.728 1.00 . A A . 46 LYS HZ1 1 1 23 27571 1 1 46 LYS HZ2 H -5.945 6.962 9.455 1.00 . A A . 46 LYS HZ2 1 1 23 27572 1 1 46 LYS HZ3 H -7.258 6.388 10.156 1.00 . A A . 46 LYS HZ3 1 1 23 27573 1 1 46 LYS N N -3.230 0.660 9.771 1.00 . A A . 46 LYS N 1 1 23 27574 1 1 46 LYS NZ N -6.396 6.868 10.368 1.00 . A A . 46 LYS NZ 1 1 23 27575 1 1 46 LYS O O -6.341 1.703 9.231 1.00 . A A . 46 LYS O 1 1 23 27576 1 1 47 ASP C C -4.620 3.240 5.640 1.00 . A A . 47 ASP C 1 1 23 27577 1 1 47 ASP CA C -5.430 2.998 6.917 1.00 . A A . 47 ASP CA 1 1 23 27578 1 1 47 ASP CB C -6.288 4.230 7.230 1.00 . A A . 47 ASP CB 1 1 23 27579 1 1 47 ASP CG C -5.488 5.501 7.473 1.00 . A A . 47 ASP CG 1 1 23 27580 1 1 47 ASP H H -3.683 2.963 8.128 1.00 . A A . 47 ASP H 1 1 23 27581 1 1 47 ASP HA H -6.101 2.168 6.698 1.00 . A A . 47 ASP HA 1 1 23 27582 1 1 47 ASP HB2 H -6.935 4.413 6.380 1.00 . A A . 47 ASP HB2 1 1 23 27583 1 1 47 ASP HB3 H -6.912 4.022 8.093 1.00 . A A . 47 ASP HB3 1 1 23 27584 1 1 47 ASP N N -4.635 2.626 8.080 1.00 . A A . 47 ASP N 1 1 23 27585 1 1 47 ASP O O -5.178 3.744 4.671 1.00 . A A . 47 ASP O 1 1 23 27586 1 1 47 ASP OD1 O -4.242 5.451 7.410 1.00 . A A . 47 ASP OD1 1 1 23 27587 1 1 47 ASP OD2 O -6.138 6.491 7.879 1.00 . A A . 47 ASP OD2 1 1 23 27588 1 1 48 ALA C C -2.880 2.009 3.333 1.00 . A A . 48 ALA C 1 1 23 27589 1 1 48 ALA CA C -2.581 3.101 4.359 1.00 . A A . 48 ALA CA 1 1 23 27590 1 1 48 ALA CB C -1.095 3.224 4.663 1.00 . A A . 48 ALA CB 1 1 23 27591 1 1 48 ALA H H -2.877 2.492 6.396 1.00 . A A . 48 ALA H 1 1 23 27592 1 1 48 ALA HA H -2.874 4.062 3.944 1.00 . A A . 48 ALA HA 1 1 23 27593 1 1 48 ALA HB1 H -0.722 2.302 5.086 1.00 . A A . 48 ALA HB1 1 1 23 27594 1 1 48 ALA HB2 H -0.555 3.441 3.742 1.00 . A A . 48 ALA HB2 1 1 23 27595 1 1 48 ALA HB3 H -0.955 4.037 5.375 1.00 . A A . 48 ALA HB3 1 1 23 27596 1 1 48 ALA N N -3.340 2.870 5.579 1.00 . A A . 48 ALA N 1 1 23 27597 1 1 48 ALA O O -3.349 2.290 2.233 1.00 . A A . 48 ALA O 1 1 23 27598 1 1 49 CYS C C -4.186 -1.040 3.268 1.00 . A A . 49 CYS C 1 1 23 27599 1 1 49 CYS CA C -2.860 -0.399 2.846 1.00 . A A . 49 CYS CA 1 1 23 27600 1 1 49 CYS CB C -1.717 -1.381 2.944 1.00 . A A . 49 CYS CB 1 1 23 27601 1 1 49 CYS H H -2.206 0.579 4.593 1.00 . A A . 49 CYS H 1 1 23 27602 1 1 49 CYS HA H -2.945 -0.083 1.810 1.00 . A A . 49 CYS HA 1 1 23 27603 1 1 49 CYS HB2 H -1.837 -1.938 3.864 1.00 . A A . 49 CYS HB2 1 1 23 27604 1 1 49 CYS HB3 H -1.770 -2.089 2.117 1.00 . A A . 49 CYS HB3 1 1 23 27605 1 1 49 CYS N N -2.608 0.754 3.689 1.00 . A A . 49 CYS N 1 1 23 27606 1 1 49 CYS O O -5.051 -1.323 2.434 1.00 . A A . 49 CYS O 1 1 23 27607 1 1 49 CYS SG S -0.051 -0.640 3.042 1.00 . A A . 49 CYS SG 1 1 23 27608 1 1 50 LYS C C -6.757 -0.931 5.137 1.00 . A A . 50 LYS C 1 1 23 27609 1 1 50 LYS CA C -5.592 -1.933 5.065 1.00 . A A . 50 LYS CA 1 1 23 27610 1 1 50 LYS CB C -5.284 -2.649 6.394 1.00 . A A . 50 LYS CB 1 1 23 27611 1 1 50 LYS CD C -6.948 -4.652 6.171 1.00 . A A . 50 LYS CD 1 1 23 27612 1 1 50 LYS CE C -5.959 -5.828 6.137 1.00 . A A . 50 LYS CE 1 1 23 27613 1 1 50 LYS CG C -6.426 -3.479 7.016 1.00 . A A . 50 LYS CG 1 1 23 27614 1 1 50 LYS H H -3.662 -1.009 5.238 1.00 . A A . 50 LYS H 1 1 23 27615 1 1 50 LYS HA H -5.870 -2.705 4.348 1.00 . A A . 50 LYS HA 1 1 23 27616 1 1 50 LYS HB2 H -4.421 -3.300 6.249 1.00 . A A . 50 LYS HB2 1 1 23 27617 1 1 50 LYS HB3 H -5.008 -1.881 7.114 1.00 . A A . 50 LYS HB3 1 1 23 27618 1 1 50 LYS HD2 H -7.877 -4.987 6.639 1.00 . A A . 50 LYS HD2 1 1 23 27619 1 1 50 LYS HD3 H -7.185 -4.314 5.162 1.00 . A A . 50 LYS HD3 1 1 23 27620 1 1 50 LYS HE2 H -5.039 -5.525 5.633 1.00 . A A . 50 LYS HE2 1 1 23 27621 1 1 50 LYS HE3 H -5.710 -6.111 7.162 1.00 . A A . 50 LYS HE3 1 1 23 27622 1 1 50 LYS HG2 H -6.071 -3.858 7.977 1.00 . A A . 50 LYS HG2 1 1 23 27623 1 1 50 LYS HG3 H -7.265 -2.822 7.245 1.00 . A A . 50 LYS HG3 1 1 23 27624 1 1 50 LYS HZ1 H -6.719 -6.797 4.479 1.00 . A A . 50 LYS HZ1 1 1 23 27625 1 1 50 LYS HZ2 H -5.879 -7.775 5.499 1.00 . A A . 50 LYS HZ2 1 1 23 27626 1 1 50 LYS HZ3 H -7.392 -7.285 5.900 1.00 . A A . 50 LYS HZ3 1 1 23 27627 1 1 50 LYS N N -4.381 -1.281 4.570 1.00 . A A . 50 LYS N 1 1 23 27628 1 1 50 LYS NZ N -6.531 -7.006 5.451 1.00 . A A . 50 LYS NZ 1 1 23 27629 1 1 50 LYS O O -7.343 -0.705 6.191 1.00 . A A . 50 LYS O 1 1 23 27630 1 1 51 THR C C -8.900 0.224 2.379 1.00 . A A . 51 THR C 1 1 23 27631 1 1 51 THR CA C -8.431 0.305 3.829 1.00 . A A . 51 THR CA 1 1 23 27632 1 1 51 THR CB C -8.406 1.746 4.366 1.00 . A A . 51 THR CB 1 1 23 27633 1 1 51 THR CG2 C -7.648 2.723 3.463 1.00 . A A . 51 THR CG2 1 1 23 27634 1 1 51 THR H H -6.577 -0.574 3.174 1.00 . A A . 51 THR H 1 1 23 27635 1 1 51 THR HA H -9.163 -0.241 4.427 1.00 . A A . 51 THR HA 1 1 23 27636 1 1 51 THR HB H -7.949 1.750 5.356 1.00 . A A . 51 THR HB 1 1 23 27637 1 1 51 THR HG1 H -9.717 3.124 4.764 1.00 . A A . 51 THR HG1 1 1 23 27638 1 1 51 THR HG21 H -8.178 2.889 2.525 1.00 . A A . 51 THR HG21 1 1 23 27639 1 1 51 THR HG22 H -7.564 3.686 3.967 1.00 . A A . 51 THR HG22 1 1 23 27640 1 1 51 THR HG23 H -6.649 2.343 3.253 1.00 . A A . 51 THR HG23 1 1 23 27641 1 1 51 THR N N -7.145 -0.372 3.990 1.00 . A A . 51 THR N 1 1 23 27642 1 1 51 THR O O -10.047 -0.128 2.115 1.00 . A A . 51 THR O 1 1 23 27643 1 1 51 THR OG1 O -9.735 2.201 4.501 1.00 . A A . 51 THR OG1 1 1 23 27644 1 1 52 CYS C C -8.862 -0.899 -0.393 1.00 . A A . 52 CYS C 1 1 23 27645 1 1 52 CYS CA C -8.322 0.469 0.014 1.00 . A A . 52 CYS CA 1 1 23 27646 1 1 52 CYS CB C -7.091 0.811 -0.773 1.00 . A A . 52 CYS CB 1 1 23 27647 1 1 52 CYS H H -7.092 0.846 1.698 1.00 . A A . 52 CYS H 1 1 23 27648 1 1 52 CYS HA H -9.104 1.201 -0.203 1.00 . A A . 52 CYS HA 1 1 23 27649 1 1 52 CYS HB2 H -6.189 0.433 -0.289 1.00 . A A . 52 CYS HB2 1 1 23 27650 1 1 52 CYS HB3 H -7.159 0.339 -1.751 1.00 . A A . 52 CYS HB3 1 1 23 27651 1 1 52 CYS N N -8.007 0.510 1.430 1.00 . A A . 52 CYS N 1 1 23 27652 1 1 52 CYS O O -9.943 -0.995 -0.971 1.00 . A A . 52 CYS O 1 1 23 27653 1 1 52 CYS SG S -6.978 2.609 -0.996 1.00 . A A . 52 CYS SG 1 1 23 27654 1 1 53 HIS C C -9.537 -3.922 0.325 1.00 . A A . 53 HIS C 1 1 23 27655 1 1 53 HIS CA C -8.394 -3.321 -0.515 1.00 . A A . 53 HIS CA 1 1 23 27656 1 1 53 HIS CB C -7.117 -4.191 -0.487 1.00 . A A . 53 HIS CB 1 1 23 27657 1 1 53 HIS CD2 C -5.169 -3.294 -1.944 1.00 . A A . 53 HIS CD2 1 1 23 27658 1 1 53 HIS CE1 C -4.083 -2.193 -0.412 1.00 . A A . 53 HIS CE1 1 1 23 27659 1 1 53 HIS CG C -5.826 -3.460 -0.750 1.00 . A A . 53 HIS CG 1 1 23 27660 1 1 53 HIS H H -7.229 -1.766 0.371 1.00 . A A . 53 HIS H 1 1 23 27661 1 1 53 HIS HA H -8.711 -3.278 -1.555 1.00 . A A . 53 HIS HA 1 1 23 27662 1 1 53 HIS HB2 H -7.016 -4.654 0.492 1.00 . A A . 53 HIS HB2 1 1 23 27663 1 1 53 HIS HB3 H -7.232 -4.997 -1.213 1.00 . A A . 53 HIS HB3 1 1 23 27664 1 1 53 HIS HD1 H -5.348 -2.549 1.174 1.00 . A A . 53 HIS HD1 1 1 23 27665 1 1 53 HIS HD2 H -5.423 -3.664 -2.922 1.00 . A A . 53 HIS HD2 1 1 23 27666 1 1 53 HIS HE1 H -3.381 -1.547 0.067 1.00 . A A . 53 HIS HE1 1 1 23 27667 1 1 53 HIS N N -8.108 -1.957 -0.083 1.00 . A A . 53 HIS N 1 1 23 27668 1 1 53 HIS ND1 N -5.123 -2.764 0.204 1.00 . A A . 53 HIS ND1 1 1 23 27669 1 1 53 HIS NE2 N -4.058 -2.482 -1.713 1.00 . A A . 53 HIS NE2 1 1 23 27670 1 1 53 HIS O O -9.346 -4.917 1.024 1.00 . A A . 53 HIS O 1 1 23 27671 1 1 54 LYS C C -13.078 -3.772 0.066 1.00 . A A . 54 LYS C 1 1 23 27672 1 1 54 LYS CA C -11.908 -3.638 1.037 1.00 . A A . 54 LYS CA 1 1 23 27673 1 1 54 LYS CB C -12.205 -2.569 2.094 1.00 . A A . 54 LYS CB 1 1 23 27674 1 1 54 LYS CD C -11.315 -3.756 4.168 1.00 . A A . 54 LYS CD 1 1 23 27675 1 1 54 LYS CE C -11.833 -3.281 5.535 1.00 . A A . 54 LYS CE 1 1 23 27676 1 1 54 LYS CG C -11.137 -2.591 3.190 1.00 . A A . 54 LYS CG 1 1 23 27677 1 1 54 LYS H H -10.739 -2.416 -0.222 1.00 . A A . 54 LYS H 1 1 23 27678 1 1 54 LYS HA H -11.766 -4.583 1.555 1.00 . A A . 54 LYS HA 1 1 23 27679 1 1 54 LYS HB2 H -12.206 -1.586 1.623 1.00 . A A . 54 LYS HB2 1 1 23 27680 1 1 54 LYS HB3 H -13.191 -2.739 2.529 1.00 . A A . 54 LYS HB3 1 1 23 27681 1 1 54 LYS HD2 H -11.981 -4.505 3.740 1.00 . A A . 54 LYS HD2 1 1 23 27682 1 1 54 LYS HD3 H -10.337 -4.222 4.296 1.00 . A A . 54 LYS HD3 1 1 23 27683 1 1 54 LYS HE2 H -11.948 -4.148 6.189 1.00 . A A . 54 LYS HE2 1 1 23 27684 1 1 54 LYS HE3 H -11.092 -2.613 5.982 1.00 . A A . 54 LYS HE3 1 1 23 27685 1 1 54 LYS HG2 H -10.148 -2.649 2.734 1.00 . A A . 54 LYS HG2 1 1 23 27686 1 1 54 LYS HG3 H -11.180 -1.647 3.715 1.00 . A A . 54 LYS HG3 1 1 23 27687 1 1 54 LYS HZ1 H -13.836 -3.181 5.054 1.00 . A A . 54 LYS HZ1 1 1 23 27688 1 1 54 LYS HZ2 H -13.419 -2.258 6.349 1.00 . A A . 54 LYS HZ2 1 1 23 27689 1 1 54 LYS HZ3 H -13.036 -1.763 4.831 1.00 . A A . 54 LYS HZ3 1 1 23 27690 1 1 54 LYS N N -10.706 -3.278 0.304 1.00 . A A . 54 LYS N 1 1 23 27691 1 1 54 LYS NZ N -13.126 -2.570 5.433 1.00 . A A . 54 LYS NZ 1 1 23 27692 1 1 54 LYS O O -13.646 -4.852 -0.077 1.00 . A A . 54 LYS O 1 1 23 27693 1 1 55 SER C C -14.343 -2.034 -2.767 1.00 . A A . 55 SER C 1 1 23 27694 1 1 55 SER CA C -14.669 -2.531 -1.361 1.00 . A A . 55 SER CA 1 1 23 27695 1 1 55 SER CB C -15.630 -1.587 -0.629 1.00 . A A . 55 SER CB 1 1 23 27696 1 1 55 SER H H -12.909 -1.818 -0.420 1.00 . A A . 55 SER H 1 1 23 27697 1 1 55 SER HA H -15.162 -3.498 -1.469 1.00 . A A . 55 SER HA 1 1 23 27698 1 1 55 SER HB2 H -15.223 -0.574 -0.627 1.00 . A A . 55 SER HB2 1 1 23 27699 1 1 55 SER HB3 H -16.590 -1.572 -1.148 1.00 . A A . 55 SER HB3 1 1 23 27700 1 1 55 SER HG H -16.113 -2.938 0.690 1.00 . A A . 55 SER HG 1 1 23 27701 1 1 55 SER N N -13.448 -2.659 -0.573 1.00 . A A . 55 SER N 1 1 23 27702 1 1 55 SER O O -15.011 -1.143 -3.286 1.00 . A A . 55 SER O 1 1 23 27703 1 1 55 SER OG O -15.800 -2.030 0.707 1.00 . A A . 55 SER OG 1 1 23 27704 1 1 56 ASN C C -12.643 -3.654 -5.472 1.00 . A A . 56 ASN C 1 1 23 27705 1 1 56 ASN CA C -12.841 -2.338 -4.718 1.00 . A A . 56 ASN CA 1 1 23 27706 1 1 56 ASN CB C -11.571 -1.466 -4.698 1.00 . A A . 56 ASN CB 1 1 23 27707 1 1 56 ASN CG C -10.390 -2.052 -3.917 1.00 . A A . 56 ASN CG 1 1 23 27708 1 1 56 ASN H H -12.777 -3.295 -2.830 1.00 . A A . 56 ASN H 1 1 23 27709 1 1 56 ASN HA H -13.608 -1.777 -5.257 1.00 . A A . 56 ASN HA 1 1 23 27710 1 1 56 ASN HB2 H -11.260 -1.301 -5.730 1.00 . A A . 56 ASN HB2 1 1 23 27711 1 1 56 ASN HB3 H -11.822 -0.501 -4.257 1.00 . A A . 56 ASN HB3 1 1 23 27712 1 1 56 ASN HD21 H -9.106 -0.718 -4.748 1.00 . A A . 56 ASN HD21 1 1 23 27713 1 1 56 ASN HD22 H -8.406 -1.838 -3.595 1.00 . A A . 56 ASN HD22 1 1 23 27714 1 1 56 ASN N N -13.302 -2.615 -3.363 1.00 . A A . 56 ASN N 1 1 23 27715 1 1 56 ASN ND2 N -9.199 -1.497 -4.116 1.00 . A A . 56 ASN ND2 1 1 23 27716 1 1 56 ASN O O -13.215 -3.843 -6.542 1.00 . A A . 56 ASN O 1 1 23 27717 1 1 56 ASN OD1 O -10.541 -2.997 -3.143 1.00 . A A . 56 ASN OD1 1 1 23 27718 1 1 57 ASN C C -12.161 -6.938 -4.617 1.00 . A A . 57 ASN C 1 1 23 27719 1 1 57 ASN CA C -11.510 -5.856 -5.474 1.00 . A A . 57 ASN CA 1 1 23 27720 1 1 57 ASN CB C -9.979 -6.023 -5.527 1.00 . A A . 57 ASN CB 1 1 23 27721 1 1 57 ASN CG C -9.265 -5.012 -6.430 1.00 . A A . 57 ASN CG 1 1 23 27722 1 1 57 ASN H H -11.422 -4.323 -4.017 1.00 . A A . 57 ASN H 1 1 23 27723 1 1 57 ASN HA H -11.896 -5.943 -6.491 1.00 . A A . 57 ASN HA 1 1 23 27724 1 1 57 ASN HB2 H -9.560 -5.927 -4.525 1.00 . A A . 57 ASN HB2 1 1 23 27725 1 1 57 ASN HB3 H -9.764 -7.025 -5.898 1.00 . A A . 57 ASN HB3 1 1 23 27726 1 1 57 ASN HD21 H -7.529 -6.089 -6.384 1.00 . A A . 57 ASN HD21 1 1 23 27727 1 1 57 ASN HD22 H -7.504 -4.604 -7.314 1.00 . A A . 57 ASN HD22 1 1 23 27728 1 1 57 ASN N N -11.859 -4.569 -4.894 1.00 . A A . 57 ASN N 1 1 23 27729 1 1 57 ASN ND2 N -7.993 -5.261 -6.726 1.00 . A A . 57 ASN ND2 1 1 23 27730 1 1 57 ASN O O -13.052 -7.646 -5.077 1.00 . A A . 57 ASN O 1 1 23 27731 1 1 57 ASN OD1 O -9.826 -4.005 -6.848 1.00 . A A . 57 ASN OD1 1 1 23 27732 1 1 58 GLY C C -11.360 -8.109 -1.190 1.00 . A A . 58 GLY C 1 1 23 27733 1 1 58 GLY CA C -12.291 -7.995 -2.399 1.00 . A A . 58 GLY CA 1 1 23 27734 1 1 58 GLY H H -10.968 -6.487 -3.016 1.00 . A A . 58 GLY H 1 1 23 27735 1 1 58 GLY HA2 H -13.271 -7.636 -2.080 1.00 . A A . 58 GLY HA2 1 1 23 27736 1 1 58 GLY HA3 H -12.393 -8.974 -2.869 1.00 . A A . 58 GLY HA3 1 1 23 27737 1 1 58 GLY N N -11.738 -7.049 -3.355 1.00 . A A . 58 GLY N 1 1 23 27738 1 1 58 GLY O O -10.294 -7.491 -1.188 1.00 . A A . 58 GLY O 1 1 23 27739 1 1 59 PRO C C -9.799 -10.110 0.679 1.00 . A A . 59 PRO C 1 1 23 27740 1 1 59 PRO CA C -10.943 -9.145 1.012 1.00 . A A . 59 PRO CA 1 1 23 27741 1 1 59 PRO CB C -11.914 -9.749 2.032 1.00 . A A . 59 PRO CB 1 1 23 27742 1 1 59 PRO CD C -13.037 -9.560 -0.073 1.00 . A A . 59 PRO CD 1 1 23 27743 1 1 59 PRO CG C -12.930 -10.473 1.149 1.00 . A A . 59 PRO CG 1 1 23 27744 1 1 59 PRO HA H -10.515 -8.221 1.408 1.00 . A A . 59 PRO HA 1 1 23 27745 1 1 59 PRO HB2 H -11.430 -10.422 2.739 1.00 . A A . 59 PRO HB2 1 1 23 27746 1 1 59 PRO HB3 H -12.420 -8.944 2.567 1.00 . A A . 59 PRO HB3 1 1 23 27747 1 1 59 PRO HD2 H -13.256 -10.152 -0.963 1.00 . A A . 59 PRO HD2 1 1 23 27748 1 1 59 PRO HD3 H -13.826 -8.823 0.087 1.00 . A A . 59 PRO HD3 1 1 23 27749 1 1 59 PRO HG2 H -12.522 -11.438 0.843 1.00 . A A . 59 PRO HG2 1 1 23 27750 1 1 59 PRO HG3 H -13.891 -10.614 1.646 1.00 . A A . 59 PRO HG3 1 1 23 27751 1 1 59 PRO N N -11.758 -8.877 -0.163 1.00 . A A . 59 PRO N 1 1 23 27752 1 1 59 PRO O O -9.792 -10.734 -0.379 1.00 . A A . 59 PRO O 1 1 23 27753 1 1 60 THR C C -7.392 -12.013 2.477 1.00 . A A . 60 THR C 1 1 23 27754 1 1 60 THR CA C -7.580 -10.943 1.398 1.00 . A A . 60 THR CA 1 1 23 27755 1 1 60 THR CB C -6.434 -9.923 1.398 1.00 . A A . 60 THR CB 1 1 23 27756 1 1 60 THR CG2 C -6.448 -9.125 0.089 1.00 . A A . 60 THR CG2 1 1 23 27757 1 1 60 THR H H -8.895 -9.662 2.432 1.00 . A A . 60 THR H 1 1 23 27758 1 1 60 THR HA H -7.579 -11.463 0.439 1.00 . A A . 60 THR HA 1 1 23 27759 1 1 60 THR HB H -5.481 -10.451 1.464 1.00 . A A . 60 THR HB 1 1 23 27760 1 1 60 THR HG1 H -6.081 -8.227 2.234 1.00 . A A . 60 THR HG1 1 1 23 27761 1 1 60 THR HG21 H -5.600 -8.442 0.055 1.00 . A A . 60 THR HG21 1 1 23 27762 1 1 60 THR HG22 H -6.374 -9.807 -0.759 1.00 . A A . 60 THR HG22 1 1 23 27763 1 1 60 THR HG23 H -7.372 -8.551 -0.005 1.00 . A A . 60 THR HG23 1 1 23 27764 1 1 60 THR N N -8.831 -10.218 1.594 1.00 . A A . 60 THR N 1 1 23 27765 1 1 60 THR O O -7.106 -13.165 2.168 1.00 . A A . 60 THR O 1 1 23 27766 1 1 60 THR OG1 O -6.574 -9.013 2.483 1.00 . A A . 60 THR OG1 1 1 23 27767 1 1 61 LYS C C -6.044 -12.894 5.169 1.00 . A A . 61 LYS C 1 1 23 27768 1 1 61 LYS CA C -7.516 -12.527 4.899 1.00 . A A . 61 LYS CA 1 1 23 27769 1 1 61 LYS CB C -8.477 -13.726 4.724 1.00 . A A . 61 LYS CB 1 1 23 27770 1 1 61 LYS CD C -8.773 -14.222 7.203 1.00 . A A . 61 LYS CD 1 1 23 27771 1 1 61 LYS CE C -9.736 -14.842 8.230 1.00 . A A . 61 LYS CE 1 1 23 27772 1 1 61 LYS CG C -9.473 -13.881 5.879 1.00 . A A . 61 LYS CG 1 1 23 27773 1 1 61 LYS H H -7.792 -10.654 3.889 1.00 . A A . 61 LYS H 1 1 23 27774 1 1 61 LYS HA H -7.861 -11.941 5.751 1.00 . A A . 61 LYS HA 1 1 23 27775 1 1 61 LYS HB2 H -9.090 -13.579 3.833 1.00 . A A . 61 LYS HB2 1 1 23 27776 1 1 61 LYS HB3 H -7.929 -14.658 4.581 1.00 . A A . 61 LYS HB3 1 1 23 27777 1 1 61 LYS HD2 H -7.988 -14.957 7.002 1.00 . A A . 61 LYS HD2 1 1 23 27778 1 1 61 LYS HD3 H -8.295 -13.334 7.620 1.00 . A A . 61 LYS HD3 1 1 23 27779 1 1 61 LYS HE2 H -10.094 -15.801 7.847 1.00 . A A . 61 LYS HE2 1 1 23 27780 1 1 61 LYS HE3 H -9.184 -15.034 9.153 1.00 . A A . 61 LYS HE3 1 1 23 27781 1 1 61 LYS HG2 H -10.050 -12.957 5.954 1.00 . A A . 61 LYS HG2 1 1 23 27782 1 1 61 LYS HG3 H -10.144 -14.695 5.598 1.00 . A A . 61 LYS HG3 1 1 23 27783 1 1 61 LYS HZ1 H -11.485 -14.429 9.218 1.00 . A A . 61 LYS HZ1 1 1 23 27784 1 1 61 LYS HZ2 H -10.589 -13.089 8.900 1.00 . A A . 61 LYS HZ2 1 1 23 27785 1 1 61 LYS HZ3 H -11.442 -13.824 7.694 1.00 . A A . 61 LYS HZ3 1 1 23 27786 1 1 61 LYS N N -7.599 -11.632 3.744 1.00 . A A . 61 LYS N 1 1 23 27787 1 1 61 LYS NZ N -10.897 -13.978 8.530 1.00 . A A . 61 LYS NZ 1 1 23 27788 1 1 61 LYS O O -5.628 -14.047 5.104 1.00 . A A . 61 LYS O 1 1 23 27789 1 1 62 CYS C C -3.369 -12.136 3.937 1.00 . A A . 62 CYS C 1 1 23 27790 1 1 62 CYS CA C -3.814 -11.801 5.363 1.00 . A A . 62 CYS CA 1 1 23 27791 1 1 62 CYS CB C -3.057 -12.538 6.448 1.00 . A A . 62 CYS CB 1 1 23 27792 1 1 62 CYS H H -5.722 -10.962 5.500 1.00 . A A . 62 CYS H 1 1 23 27793 1 1 62 CYS HA H -3.590 -10.757 5.466 1.00 . A A . 62 CYS HA 1 1 23 27794 1 1 62 CYS HB2 H -3.092 -13.606 6.236 1.00 . A A . 62 CYS HB2 1 1 23 27795 1 1 62 CYS HB3 H -2.021 -12.199 6.414 1.00 . A A . 62 CYS HB3 1 1 23 27796 1 1 62 CYS N N -5.266 -11.853 5.476 1.00 . A A . 62 CYS N 1 1 23 27797 1 1 62 CYS O O -4.152 -11.963 3.004 1.00 . A A . 62 CYS O 1 1 23 27798 1 1 62 CYS SG S -3.650 -12.287 8.151 1.00 . A A . 62 CYS SG 1 1 23 27799 1 1 63 GLY C C -1.276 -11.867 1.479 1.00 . A A . 63 GLY C 1 1 23 27800 1 1 63 GLY CA C -1.588 -12.998 2.461 1.00 . A A . 63 GLY CA 1 1 23 27801 1 1 63 GLY H H -1.469 -12.527 4.523 1.00 . A A . 63 GLY H 1 1 23 27802 1 1 63 GLY HA2 H -0.674 -13.562 2.649 1.00 . A A . 63 GLY HA2 1 1 23 27803 1 1 63 GLY HA3 H -2.316 -13.669 2.004 1.00 . A A . 63 GLY HA3 1 1 23 27804 1 1 63 GLY N N -2.102 -12.512 3.739 1.00 . A A . 63 GLY N 1 1 23 27805 1 1 63 GLY O O -0.206 -11.844 0.880 1.00 . A A . 63 GLY O 1 1 23 27806 1 1 64 GLY C C -0.856 -9.247 0.032 1.00 . A A . 64 GLY C 1 1 23 27807 1 1 64 GLY CA C -2.222 -9.870 0.327 1.00 . A A . 64 GLY CA 1 1 23 27808 1 1 64 GLY H H -3.068 -11.076 1.848 1.00 . A A . 64 GLY H 1 1 23 27809 1 1 64 GLY HA2 H -2.650 -10.258 -0.596 1.00 . A A . 64 GLY HA2 1 1 23 27810 1 1 64 GLY HA3 H -2.873 -9.082 0.708 1.00 . A A . 64 GLY HA3 1 1 23 27811 1 1 64 GLY N N -2.214 -10.931 1.324 1.00 . A A . 64 GLY N 1 1 23 27812 1 1 64 GLY O O -0.508 -9.044 -1.127 1.00 . A A . 64 GLY O 1 1 23 27813 1 1 65 CYS C C 2.277 -8.560 1.489 1.00 . A A . 65 CYS C 1 1 23 27814 1 1 65 CYS CA C 0.967 -7.919 1.030 1.00 . A A . 65 CYS CA 1 1 23 27815 1 1 65 CYS CB C 0.593 -6.736 1.886 1.00 . A A . 65 CYS CB 1 1 23 27816 1 1 65 CYS H H -0.479 -9.130 1.996 1.00 . A A . 65 CYS H 1 1 23 27817 1 1 65 CYS HA H 1.115 -7.565 0.010 1.00 . A A . 65 CYS HA 1 1 23 27818 1 1 65 CYS HB2 H 0.644 -7.056 2.924 1.00 . A A . 65 CYS HB2 1 1 23 27819 1 1 65 CYS HB3 H 1.298 -5.920 1.737 1.00 . A A . 65 CYS HB3 1 1 23 27820 1 1 65 CYS N N -0.129 -8.880 1.089 1.00 . A A . 65 CYS N 1 1 23 27821 1 1 65 CYS O O 3.321 -8.368 0.867 1.00 . A A . 65 CYS O 1 1 23 27822 1 1 65 CYS SG S -1.098 -6.182 1.468 1.00 . A A . 65 CYS SG 1 1 23 27823 1 1 66 HIS C C 3.616 -11.273 2.269 1.00 . A A . 66 HIS C 1 1 23 27824 1 1 66 HIS CA C 3.386 -10.026 3.102 1.00 . A A . 66 HIS CA 1 1 23 27825 1 1 66 HIS CB C 3.185 -10.436 4.562 1.00 . A A . 66 HIS CB 1 1 23 27826 1 1 66 HIS CD2 C 1.858 -8.932 6.142 1.00 . A A . 66 HIS CD2 1 1 23 27827 1 1 66 HIS CE1 C 3.395 -7.466 6.635 1.00 . A A . 66 HIS CE1 1 1 23 27828 1 1 66 HIS CG C 3.011 -9.273 5.487 1.00 . A A . 66 HIS CG 1 1 23 27829 1 1 66 HIS H H 1.333 -9.478 3.030 1.00 . A A . 66 HIS H 1 1 23 27830 1 1 66 HIS HA H 4.256 -9.377 3.033 1.00 . A A . 66 HIS HA 1 1 23 27831 1 1 66 HIS HB2 H 2.329 -11.108 4.634 1.00 . A A . 66 HIS HB2 1 1 23 27832 1 1 66 HIS HB3 H 4.068 -10.991 4.878 1.00 . A A . 66 HIS HB3 1 1 23 27833 1 1 66 HIS HD1 H 4.907 -8.233 5.371 1.00 . A A . 66 HIS HD1 1 1 23 27834 1 1 66 HIS HD2 H 0.896 -9.409 6.122 1.00 . A A . 66 HIS HD2 1 1 23 27835 1 1 66 HIS HE1 H 3.901 -6.608 7.038 1.00 . A A . 66 HIS HE1 1 1 23 27836 1 1 66 HIS N N 2.223 -9.318 2.590 1.00 . A A . 66 HIS N 1 1 23 27837 1 1 66 HIS ND1 N 3.975 -8.341 5.795 1.00 . A A . 66 HIS ND1 1 1 23 27838 1 1 66 HIS NE2 N 2.103 -7.773 6.859 1.00 . A A . 66 HIS NE2 1 1 23 27839 1 1 66 HIS O O 2.758 -12.155 2.246 1.00 . A A . 66 HIS O 1 1 23 27840 1 1 67 ILE C C 5.677 -13.593 1.849 1.00 . A A . 67 ILE C 1 1 23 27841 1 1 67 ILE CA C 5.134 -12.555 0.866 1.00 . A A . 67 ILE CA 1 1 23 27842 1 1 67 ILE CB C 6.104 -12.152 -0.259 1.00 . A A . 67 ILE CB 1 1 23 27843 1 1 67 ILE CD1 C 4.175 -11.162 -1.687 1.00 . A A . 67 ILE CD1 1 1 23 27844 1 1 67 ILE CG1 C 5.567 -10.957 -1.077 1.00 . A A . 67 ILE CG1 1 1 23 27845 1 1 67 ILE CG2 C 6.399 -13.342 -1.184 1.00 . A A . 67 ILE CG2 1 1 23 27846 1 1 67 ILE H H 5.523 -10.711 1.830 1.00 . A A . 67 ILE H 1 1 23 27847 1 1 67 ILE HA H 4.242 -12.977 0.399 1.00 . A A . 67 ILE HA 1 1 23 27848 1 1 67 ILE HB H 7.047 -11.833 0.187 1.00 . A A . 67 ILE HB 1 1 23 27849 1 1 67 ILE HD11 H 3.423 -11.271 -0.905 1.00 . A A . 67 ILE HD11 1 1 23 27850 1 1 67 ILE HD12 H 3.921 -10.285 -2.283 1.00 . A A . 67 ILE HD12 1 1 23 27851 1 1 67 ILE HD13 H 4.161 -12.038 -2.334 1.00 . A A . 67 ILE HD13 1 1 23 27852 1 1 67 ILE HG12 H 5.524 -10.067 -0.446 1.00 . A A . 67 ILE HG12 1 1 23 27853 1 1 67 ILE HG13 H 6.266 -10.754 -1.888 1.00 . A A . 67 ILE HG13 1 1 23 27854 1 1 67 ILE HG21 H 7.028 -13.018 -2.013 1.00 . A A . 67 ILE HG21 1 1 23 27855 1 1 67 ILE HG22 H 6.928 -14.123 -0.637 1.00 . A A . 67 ILE HG22 1 1 23 27856 1 1 67 ILE HG23 H 5.474 -13.760 -1.579 1.00 . A A . 67 ILE HG23 1 1 23 27857 1 1 67 ILE N N 4.785 -11.385 1.647 1.00 . A A . 67 ILE N 1 1 23 27858 1 1 67 ILE O O 6.886 -13.803 1.944 1.00 . A A . 67 ILE O 1 1 23 27859 1 1 68 LYS C C 4.129 -16.483 3.025 1.00 . A A . 68 LYS C 1 1 23 27860 1 1 68 LYS CA C 5.036 -15.339 3.470 1.00 . A A . 68 LYS CA 1 1 23 27861 1 1 68 LYS CB C 4.770 -14.967 4.934 1.00 . A A . 68 LYS CB 1 1 23 27862 1 1 68 LYS CD C 5.007 -15.820 7.315 1.00 . A A . 68 LYS CD 1 1 23 27863 1 1 68 LYS CE C 5.723 -16.892 8.149 1.00 . A A . 68 LYS CE 1 1 23 27864 1 1 68 LYS CG C 5.338 -16.063 5.842 1.00 . A A . 68 LYS CG 1 1 23 27865 1 1 68 LYS H H 3.780 -14.021 2.456 1.00 . A A . 68 LYS H 1 1 23 27866 1 1 68 LYS HA H 6.072 -15.646 3.352 1.00 . A A . 68 LYS HA 1 1 23 27867 1 1 68 LYS HB2 H 5.259 -14.021 5.169 1.00 . A A . 68 LYS HB2 1 1 23 27868 1 1 68 LYS HB3 H 3.695 -14.861 5.092 1.00 . A A . 68 LYS HB3 1 1 23 27869 1 1 68 LYS HD2 H 5.345 -14.822 7.592 1.00 . A A . 68 LYS HD2 1 1 23 27870 1 1 68 LYS HD3 H 3.924 -15.879 7.447 1.00 . A A . 68 LYS HD3 1 1 23 27871 1 1 68 LYS HE2 H 5.316 -17.873 7.894 1.00 . A A . 68 LYS HE2 1 1 23 27872 1 1 68 LYS HE3 H 6.787 -16.883 7.904 1.00 . A A . 68 LYS HE3 1 1 23 27873 1 1 68 LYS HG2 H 4.929 -17.030 5.544 1.00 . A A . 68 LYS HG2 1 1 23 27874 1 1 68 LYS HG3 H 6.420 -16.084 5.700 1.00 . A A . 68 LYS HG3 1 1 23 27875 1 1 68 LYS HZ1 H 4.600 -16.661 9.851 1.00 . A A . 68 LYS HZ1 1 1 23 27876 1 1 68 LYS HZ2 H 6.052 -17.395 10.104 1.00 . A A . 68 LYS HZ2 1 1 23 27877 1 1 68 LYS HZ3 H 5.996 -15.774 9.837 1.00 . A A . 68 LYS HZ3 1 1 23 27878 1 1 68 LYS N N 4.766 -14.207 2.609 1.00 . A A . 68 LYS N 1 1 23 27879 1 1 68 LYS NZ N 5.577 -16.661 9.597 1.00 . A A . 68 LYS NZ 1 1 23 27880 1 1 68 LYS O O 4.566 -17.648 3.161 1.00 . A A . 68 LYS O 1 1 23 27881 1 1 68 LYS OXT O 3.002 -16.164 2.586 1.00 . A A . 68 LYS OXT 1 1 23 27882 2 2 1 HEC C1A C 7.819 7.960 -3.454 1.00 . B A . 69 HEC C1A 1 1 23 27883 2 2 1 HEC C1B C 5.377 8.745 -6.861 1.00 . B A . 69 HEC C1B 1 1 23 27884 2 2 1 HEC C1C C 2.425 6.075 -5.379 1.00 . B A . 69 HEC C1C 1 1 23 27885 2 2 1 HEC C1D C 4.674 5.619 -1.773 1.00 . B A . 69 HEC C1D 1 1 23 27886 2 2 1 HEC C2A C 8.922 8.804 -3.870 1.00 . B A . 69 HEC C2A 1 1 23 27887 2 2 1 HEC C2B C 4.709 9.087 -8.092 1.00 . B A . 69 HEC C2B 1 1 23 27888 2 2 1 HEC C2C C 1.243 5.387 -4.926 1.00 . B A . 69 HEC C2C 1 1 23 27889 2 2 1 HEC C2D C 5.338 5.313 -0.528 1.00 . B A . 69 HEC C2D 1 1 23 27890 2 2 1 HEC C3A C 8.536 9.422 -5.028 1.00 . B A . 69 HEC C3A 1 1 23 27891 2 2 1 HEC C3B C 3.551 8.349 -8.139 1.00 . B A . 69 HEC C3B 1 1 23 27892 2 2 1 HEC C3C C 1.462 5.018 -3.617 1.00 . B A . 69 HEC C3C 1 1 23 27893 2 2 1 HEC C3D C 6.604 5.859 -0.600 1.00 . B A . 69 HEC C3D 1 1 23 27894 2 2 1 HEC C4A C 7.219 8.934 -5.348 1.00 . B A . 69 HEC C4A 1 1 23 27895 2 2 1 HEC C4B C 3.567 7.471 -6.985 1.00 . B A . 69 HEC C4B 1 1 23 27896 2 2 1 HEC C4C C 2.814 5.429 -3.294 1.00 . B A . 69 HEC C4C 1 1 23 27897 2 2 1 HEC C4D C 6.673 6.571 -1.856 1.00 . B A . 69 HEC C4D 1 1 23 27898 2 2 1 HEC CAA C 10.242 9.038 -3.167 1.00 . B A . 69 HEC CAA 1 1 23 27899 2 2 1 HEC CAB C 2.315 8.731 -8.928 1.00 . B A . 69 HEC CAB 1 1 23 27900 2 2 1 HEC CAC C 0.444 4.426 -2.648 1.00 . B A . 69 HEC CAC 1 1 23 27901 2 2 1 HEC CAD C 7.789 5.659 0.332 1.00 . B A . 69 HEC CAD 1 1 23 27902 2 2 1 HEC CBA C 11.285 7.943 -3.429 1.00 . B A . 69 HEC CBA 1 1 23 27903 2 2 1 HEC CBB C 2.519 8.985 -10.427 1.00 . B A . 69 HEC CBB 1 1 23 27904 2 2 1 HEC CBC C 0.095 2.971 -2.945 1.00 . B A . 69 HEC CBC 1 1 23 27905 2 2 1 HEC CBD C 7.761 4.412 1.219 1.00 . B A . 69 HEC CBD 1 1 23 27906 2 2 1 HEC CGA C 10.964 6.664 -2.654 1.00 . B A . 69 HEC CGA 1 1 23 27907 2 2 1 HEC CGD C 9.169 3.902 1.527 1.00 . B A . 69 HEC CGD 1 1 23 27908 2 2 1 HEC CHA C 7.780 7.272 -2.267 1.00 . B A . 69 HEC CHA 1 1 23 27909 2 2 1 HEC CHB C 6.535 9.351 -6.448 1.00 . B A . 69 HEC CHB 1 1 23 27910 2 2 1 HEC CHC C 2.513 6.658 -6.624 1.00 . B A . 69 HEC CHC 1 1 23 27911 2 2 1 HEC CHD C 3.411 5.172 -2.079 1.00 . B A . 69 HEC CHD 1 1 23 27912 2 2 1 HEC CMA C 9.373 10.374 -5.856 1.00 . B A . 69 HEC CMA 1 1 23 27913 2 2 1 HEC CMB C 5.153 10.106 -9.121 1.00 . B A . 69 HEC CMB 1 1 23 27914 2 2 1 HEC CMC C -0.037 5.267 -5.721 1.00 . B A . 69 HEC CMC 1 1 23 27915 2 2 1 HEC CMD C 4.737 4.496 0.594 1.00 . B A . 69 HEC CMD 1 1 23 27916 2 2 1 HEC FE FE 5.099 7.030 -4.428 1.00 . B A . 69 HEC FE 1 1 23 27917 2 2 1 HEC HAA1 H 10.661 9.988 -3.489 1.00 . B A . 69 HEC HAA1 1 1 23 27918 2 2 1 HEC HAA2 H 10.070 9.117 -2.103 1.00 . B A . 69 HEC HAA2 1 1 23 27919 2 2 1 HEC HAB H 1.583 7.934 -8.864 1.00 . B A . 69 HEC HAB 1 1 23 27920 2 2 1 HEC HAC H 0.816 4.461 -1.629 1.00 . B A . 69 HEC HAC 1 1 23 27921 2 2 1 HEC HAD1 H 8.662 5.521 -0.308 1.00 . B A . 69 HEC HAD1 1 1 23 27922 2 2 1 HEC HAD2 H 7.964 6.535 0.949 1.00 . B A . 69 HEC HAD2 1 1 23 27923 2 2 1 HEC HBA1 H 11.336 7.741 -4.502 1.00 . B A . 69 HEC HBA1 1 1 23 27924 2 2 1 HEC HBA2 H 12.259 8.309 -3.103 1.00 . B A . 69 HEC HBA2 1 1 23 27925 2 2 1 HEC HBB1 H 2.925 9.978 -10.608 1.00 . B A . 69 HEC HBB1 1 1 23 27926 2 2 1 HEC HBB2 H 3.182 8.229 -10.847 1.00 . B A . 69 HEC HBB2 1 1 23 27927 2 2 1 HEC HBB3 H 1.559 8.918 -10.942 1.00 . B A . 69 HEC HBB3 1 1 23 27928 2 2 1 HEC HBC1 H -0.695 2.637 -2.271 1.00 . B A . 69 HEC HBC1 1 1 23 27929 2 2 1 HEC HBC2 H -0.252 2.892 -3.970 1.00 . B A . 69 HEC HBC2 1 1 23 27930 2 2 1 HEC HBC3 H 0.970 2.334 -2.821 1.00 . B A . 69 HEC HBC3 1 1 23 27931 2 2 1 HEC HBD1 H 7.256 4.631 2.158 1.00 . B A . 69 HEC HBD1 1 1 23 27932 2 2 1 HEC HBD2 H 7.218 3.641 0.683 1.00 . B A . 69 HEC HBD2 1 1 23 27933 2 2 1 HEC HHA H 8.643 7.296 -1.630 1.00 . B A . 69 HEC HHA 1 1 23 27934 2 2 1 HEC HHB H 6.923 10.185 -6.990 1.00 . B A . 69 HEC HHB 1 1 23 27935 2 2 1 HEC HHC H 1.675 6.549 -7.283 1.00 . B A . 69 HEC HHC 1 1 23 27936 2 2 1 HEC HHD H 2.878 4.565 -1.368 1.00 . B A . 69 HEC HHD 1 1 23 27937 2 2 1 HEC HMA1 H 10.432 10.174 -5.701 1.00 . B A . 69 HEC HMA1 1 1 23 27938 2 2 1 HEC HMA2 H 9.170 10.235 -6.916 1.00 . B A . 69 HEC HMA2 1 1 23 27939 2 2 1 HEC HMA3 H 9.149 11.401 -5.568 1.00 . B A . 69 HEC HMA3 1 1 23 27940 2 2 1 HEC HMB1 H 5.133 9.647 -10.108 1.00 . B A . 69 HEC HMB1 1 1 23 27941 2 2 1 HEC HMB2 H 4.468 10.954 -9.091 1.00 . B A . 69 HEC HMB2 1 1 23 27942 2 2 1 HEC HMB3 H 6.164 10.463 -8.952 1.00 . B A . 69 HEC HMB3 1 1 23 27943 2 2 1 HEC HMC1 H -0.786 4.697 -5.182 1.00 . B A . 69 HEC HMC1 1 1 23 27944 2 2 1 HEC HMC2 H -0.434 6.267 -5.903 1.00 . B A . 69 HEC HMC2 1 1 23 27945 2 2 1 HEC HMC3 H 0.173 4.776 -6.669 1.00 . B A . 69 HEC HMC3 1 1 23 27946 2 2 1 HEC HMD1 H 5.213 4.706 1.545 1.00 . B A . 69 HEC HMD1 1 1 23 27947 2 2 1 HEC HMD2 H 3.676 4.718 0.703 1.00 . B A . 69 HEC HMD2 1 1 23 27948 2 2 1 HEC HMD3 H 4.852 3.441 0.357 1.00 . B A . 69 HEC HMD3 1 1 23 27949 2 2 1 HEC NA N 6.844 8.041 -4.404 1.00 . B A . 69 HEC NA 1 1 23 27950 2 2 1 HEC NB N 4.681 7.755 -6.250 1.00 . B A . 69 HEC NB 1 1 23 27951 2 2 1 HEC NC N 3.329 6.097 -4.370 1.00 . B A . 69 HEC NC 1 1 23 27952 2 2 1 HEC ND N 5.508 6.387 -2.522 1.00 . B A . 69 HEC ND 1 1 23 27953 2 2 1 HEC O1A O 10.598 5.664 -3.305 1.00 . B A . 69 HEC O1A 1 1 23 27954 2 2 1 HEC O1D O 9.449 2.734 1.189 1.00 . B A . 69 HEC O1D 1 1 23 27955 2 2 1 HEC O2A O 11.017 6.746 -1.402 1.00 . B A . 69 HEC O2A 1 1 23 27956 2 2 1 HEC O2D O 9.962 4.718 2.051 1.00 . B A . 69 HEC O2D 1 1 23 27957 3 2 1 HEC C1A C -2.489 -4.480 -4.355 1.00 . C A . 70 HEC C1A 1 1 23 27958 3 2 1 HEC C1B C -0.511 -2.497 -1.122 1.00 . C A . 70 HEC C1B 1 1 23 27959 3 2 1 HEC C1C C -3.094 0.863 -1.572 1.00 . C A . 70 HEC C1C 1 1 23 27960 3 2 1 HEC C1D C -5.038 -1.107 -4.847 1.00 . C A . 70 HEC C1D 1 1 23 27961 3 2 1 HEC C2A C -1.681 -5.674 -4.323 1.00 . C A . 70 HEC C2A 1 1 23 27962 3 2 1 HEC C2B C 0.221 -1.996 0.015 1.00 . C A . 70 HEC C2B 1 1 23 27963 3 2 1 HEC C2C C -3.917 2.048 -1.603 1.00 . C A . 70 HEC C2C 1 1 23 27964 3 2 1 HEC C2D C -5.750 -1.601 -6.002 1.00 . C A . 70 HEC C2D 1 1 23 27965 3 2 1 HEC C3A C -0.769 -5.514 -3.309 1.00 . C A . 70 HEC C3A 1 1 23 27966 3 2 1 HEC C3B C -0.257 -0.733 0.284 1.00 . C A . 70 HEC C3B 1 1 23 27967 3 2 1 HEC C3C C -4.891 1.839 -2.551 1.00 . C A . 70 HEC C3C 1 1 23 27968 3 2 1 HEC C3D C -5.118 -2.759 -6.384 1.00 . C A . 70 HEC C3D 1 1 23 27969 3 2 1 HEC C4A C -1.045 -4.243 -2.684 1.00 . C A . 70 HEC C4A 1 1 23 27970 3 2 1 HEC C4B C -1.282 -0.457 -0.698 1.00 . C A . 70 HEC C4B 1 1 23 27971 3 2 1 HEC C4C C -4.568 0.594 -3.209 1.00 . C A . 70 HEC C4C 1 1 23 27972 3 2 1 HEC C4D C -4.197 -3.099 -5.328 1.00 . C A . 70 HEC C4D 1 1 23 27973 3 2 1 HEC CAA C -1.782 -6.834 -5.288 1.00 . C A . 70 HEC CAA 1 1 23 27974 3 2 1 HEC CAB C 0.162 0.169 1.430 1.00 . C A . 70 HEC CAB 1 1 23 27975 3 2 1 HEC CAC C -6.228 2.562 -2.642 1.00 . C A . 70 HEC CAC 1 1 23 27976 3 2 1 HEC CAD C -5.119 -3.362 -7.772 1.00 . C A . 70 HEC CAD 1 1 23 27977 3 2 1 HEC CBA C -1.111 -6.554 -6.638 1.00 . C A . 70 HEC CBA 1 1 23 27978 3 2 1 HEC CBB C 1.588 0.703 1.256 1.00 . C A . 70 HEC CBB 1 1 23 27979 3 2 1 HEC CBC C -6.204 3.931 -3.315 1.00 . C A . 70 HEC CBC 1 1 23 27980 3 2 1 HEC CBD C -3.770 -3.202 -8.506 1.00 . C A . 70 HEC CBD 1 1 23 27981 3 2 1 HEC CGA C -1.575 -7.550 -7.707 1.00 . C A . 70 HEC CGA 1 1 23 27982 3 2 1 HEC CGD C -3.225 -1.764 -8.533 1.00 . C A . 70 HEC CGD 1 1 23 27983 3 2 1 HEC CHA C -3.457 -4.253 -5.306 1.00 . C A . 70 HEC CHA 1 1 23 27984 3 2 1 HEC CHB C -0.317 -3.759 -1.621 1.00 . C A . 70 HEC CHB 1 1 23 27985 3 2 1 HEC CHC C -2.073 0.669 -0.669 1.00 . C A . 70 HEC CHC 1 1 23 27986 3 2 1 HEC CHD C -5.297 0.103 -4.260 1.00 . C A . 70 HEC CHD 1 1 23 27987 3 2 1 HEC CMA C 0.399 -6.413 -2.991 1.00 . C A . 70 HEC CMA 1 1 23 27988 3 2 1 HEC CMB C 1.196 -2.806 0.839 1.00 . C A . 70 HEC CMB 1 1 23 27989 3 2 1 HEC CMC C -3.748 3.284 -0.746 1.00 . C A . 70 HEC CMC 1 1 23 27990 3 2 1 HEC CMD C -6.895 -0.929 -6.732 1.00 . C A . 70 HEC CMD 1 1 23 27991 3 2 1 HEC FE FE -2.762 -1.802 -3.004 1.00 . C A . 70 HEC FE 1 1 23 27992 3 2 1 HEC HAA1 H -1.350 -7.739 -4.864 1.00 . C A . 70 HEC HAA1 1 1 23 27993 3 2 1 HEC HAA2 H -2.837 -7.041 -5.468 1.00 . C A . 70 HEC HAA2 1 1 23 27994 3 2 1 HEC HAB H -0.464 1.051 1.487 1.00 . C A . 70 HEC HAB 1 1 23 27995 3 2 1 HEC HAC H -6.936 1.980 -3.226 1.00 . C A . 70 HEC HAC 1 1 23 27996 3 2 1 HEC HAD1 H -5.355 -4.424 -7.717 1.00 . C A . 70 HEC HAD1 1 1 23 27997 3 2 1 HEC HAD2 H -5.874 -2.857 -8.375 1.00 . C A . 70 HEC HAD2 1 1 23 27998 3 2 1 HEC HBA1 H -1.372 -5.549 -6.971 1.00 . C A . 70 HEC HBA1 1 1 23 27999 3 2 1 HEC HBA2 H -0.027 -6.598 -6.512 1.00 . C A . 70 HEC HBA2 1 1 23 28000 3 2 1 HEC HBB1 H 1.668 1.230 0.304 1.00 . C A . 70 HEC HBB1 1 1 23 28001 3 2 1 HEC HBB2 H 1.834 1.400 2.052 1.00 . C A . 70 HEC HBB2 1 1 23 28002 3 2 1 HEC HBB3 H 2.319 -0.102 1.260 1.00 . C A . 70 HEC HBB3 1 1 23 28003 3 2 1 HEC HBC1 H -6.334 3.768 -4.386 1.00 . C A . 70 HEC HBC1 1 1 23 28004 3 2 1 HEC HBC2 H -7.035 4.541 -2.963 1.00 . C A . 70 HEC HBC2 1 1 23 28005 3 2 1 HEC HBC3 H -5.263 4.446 -3.126 1.00 . C A . 70 HEC HBC3 1 1 23 28006 3 2 1 HEC HBD1 H -3.027 -3.848 -8.038 1.00 . C A . 70 HEC HBD1 1 1 23 28007 3 2 1 HEC HBD2 H -3.903 -3.539 -9.535 1.00 . C A . 70 HEC HBD2 1 1 23 28008 3 2 1 HEC HHA H -3.601 -4.981 -6.087 1.00 . C A . 70 HEC HHA 1 1 23 28009 3 2 1 HEC HHB H 0.419 -4.391 -1.152 1.00 . C A . 70 HEC HHB 1 1 23 28010 3 2 1 HEC HHC H -1.948 1.378 0.137 1.00 . C A . 70 HEC HHC 1 1 23 28011 3 2 1 HEC HHD H -6.047 0.736 -4.680 1.00 . C A . 70 HEC HHD 1 1 23 28012 3 2 1 HEC HMA1 H 1.319 -5.827 -2.982 1.00 . C A . 70 HEC HMA1 1 1 23 28013 3 2 1 HEC HMA2 H 0.245 -6.858 -2.012 1.00 . C A . 70 HEC HMA2 1 1 23 28014 3 2 1 HEC HMA3 H 0.504 -7.204 -3.731 1.00 . C A . 70 HEC HMA3 1 1 23 28015 3 2 1 HEC HMB1 H 0.636 -3.566 1.379 1.00 . C A . 70 HEC HMB1 1 1 23 28016 3 2 1 HEC HMB2 H 1.919 -3.292 0.188 1.00 . C A . 70 HEC HMB2 1 1 23 28017 3 2 1 HEC HMB3 H 1.725 -2.185 1.554 1.00 . C A . 70 HEC HMB3 1 1 23 28018 3 2 1 HEC HMC1 H -4.339 3.177 0.161 1.00 . C A . 70 HEC HMC1 1 1 23 28019 3 2 1 HEC HMC2 H -2.702 3.437 -0.487 1.00 . C A . 70 HEC HMC2 1 1 23 28020 3 2 1 HEC HMC3 H -4.090 4.168 -1.279 1.00 . C A . 70 HEC HMC3 1 1 23 28021 3 2 1 HEC HMD1 H -7.696 -1.650 -6.890 1.00 . C A . 70 HEC HMD1 1 1 23 28022 3 2 1 HEC HMD2 H -7.287 -0.071 -6.185 1.00 . C A . 70 HEC HMD2 1 1 23 28023 3 2 1 HEC HMD3 H -6.522 -0.584 -7.697 1.00 . C A . 70 HEC HMD3 1 1 23 28024 3 2 1 HEC NA N -2.068 -3.649 -3.357 1.00 . C A . 70 HEC NA 1 1 23 28025 3 2 1 HEC NB N -1.398 -1.546 -1.520 1.00 . C A . 70 HEC NB 1 1 23 28026 3 2 1 HEC NC N -3.512 0.027 -2.567 1.00 . C A . 70 HEC NC 1 1 23 28027 3 2 1 HEC ND N -4.147 -2.055 -4.463 1.00 . C A . 70 HEC ND 1 1 23 28028 3 2 1 HEC O1A O -2.797 -7.545 -7.981 1.00 . C A . 70 HEC O1A 1 1 23 28029 3 2 1 HEC O1D O -1.988 -1.605 -8.663 1.00 . C A . 70 HEC O1D 1 1 23 28030 3 2 1 HEC O2A O -0.718 -8.311 -8.207 1.00 . C A . 70 HEC O2A 1 1 23 28031 3 2 1 HEC O2D O -4.058 -0.836 -8.449 1.00 . C A . 70 HEC O2D 1 1 23 28032 4 2 1 HEC C1A C 2.838 -6.054 9.844 1.00 . D A . 71 HEC C1A 1 1 23 28033 4 2 1 HEC C1B C -0.043 -9.198 9.568 1.00 . D A . 71 HEC C1B 1 1 23 28034 4 2 1 HEC C1C C -1.390 -7.543 5.904 1.00 . D A . 71 HEC C1C 1 1 23 28035 4 2 1 HEC C1D C 1.527 -4.514 6.075 1.00 . D A . 71 HEC C1D 1 1 23 28036 4 2 1 HEC C2A C 3.456 -6.505 11.071 1.00 . D A . 71 HEC C2A 1 1 23 28037 4 2 1 HEC C2B C -1.018 -10.265 9.626 1.00 . D A . 71 HEC C2B 1 1 23 28038 4 2 1 HEC C2C C -1.936 -7.209 4.616 1.00 . D A . 71 HEC C2C 1 1 23 28039 4 2 1 HEC C2D C 2.465 -3.436 5.978 1.00 . D A . 71 HEC C2D 1 1 23 28040 4 2 1 HEC C3A C 2.715 -7.567 11.523 1.00 . D A . 71 HEC C3A 1 1 23 28041 4 2 1 HEC C3B C -1.886 -10.084 8.574 1.00 . D A . 71 HEC C3B 1 1 23 28042 4 2 1 HEC C3C C -1.315 -6.054 4.210 1.00 . D A . 71 HEC C3C 1 1 23 28043 4 2 1 HEC C3D C 3.278 -3.492 7.080 1.00 . D A . 71 HEC C3D 1 1 23 28044 4 2 1 HEC C4A C 1.747 -7.883 10.493 1.00 . D A . 71 HEC C4A 1 1 23 28045 4 2 1 HEC C4B C -1.307 -9.026 7.774 1.00 . D A . 71 HEC C4B 1 1 23 28046 4 2 1 HEC C4C C -0.291 -5.782 5.201 1.00 . D A . 71 HEC C4C 1 1 23 28047 4 2 1 HEC C4D C 2.757 -4.548 7.934 1.00 . D A . 71 HEC C4D 1 1 23 28048 4 2 1 HEC CAA C 4.743 -5.998 11.696 1.00 . D A . 71 HEC CAA 1 1 23 28049 4 2 1 HEC CAB C -3.353 -10.525 8.503 1.00 . D A . 71 HEC CAB 1 1 23 28050 4 2 1 HEC CAC C -1.603 -5.258 2.946 1.00 . D A . 71 HEC CAC 1 1 23 28051 4 2 1 HEC CAD C 4.544 -2.672 7.190 1.00 . D A . 71 HEC CAD 1 1 23 28052 4 2 1 HEC CBA C 5.983 -6.187 10.802 1.00 . D A . 71 HEC CBA 1 1 23 28053 4 2 1 HEC CBB C -4.114 -10.191 9.790 1.00 . D A . 71 HEC CBB 1 1 23 28054 4 2 1 HEC CBC C -3.063 -4.813 2.793 1.00 . D A . 71 HEC CBC 1 1 23 28055 4 2 1 HEC CBD C 5.616 -3.140 8.164 1.00 . D A . 71 HEC CBD 1 1 23 28056 4 2 1 HEC CGA C 7.282 -6.389 11.594 1.00 . D A . 71 HEC CGA 1 1 23 28057 4 2 1 HEC CGD C 6.874 -2.317 8.007 1.00 . D A . 71 HEC CGD 1 1 23 28058 4 2 1 HEC CHA C 3.277 -4.960 9.148 1.00 . D A . 71 HEC CHA 1 1 23 28059 4 2 1 HEC CHB C 0.880 -8.958 10.557 1.00 . D A . 71 HEC CHB 1 1 23 28060 4 2 1 HEC CHC C -1.851 -8.607 6.602 1.00 . D A . 71 HEC CHC 1 1 23 28061 4 2 1 HEC CHD C 0.607 -4.760 5.095 1.00 . D A . 71 HEC CHD 1 1 23 28062 4 2 1 HEC CMA C 2.895 -8.228 12.872 1.00 . D A . 71 HEC CMA 1 1 23 28063 4 2 1 HEC CMB C -1.089 -11.345 10.680 1.00 . D A . 71 HEC CMB 1 1 23 28064 4 2 1 HEC CMC C -2.906 -8.078 3.845 1.00 . D A . 71 HEC CMC 1 1 23 28065 4 2 1 HEC CMD C 2.544 -2.444 4.844 1.00 . D A . 71 HEC CMD 1 1 23 28066 4 2 1 HEC FE FE 0.764 -6.780 7.895 1.00 . D A . 71 HEC FE 1 1 23 28067 4 2 1 HEC HAA1 H 4.653 -4.945 11.955 1.00 . D A . 71 HEC HAA1 1 1 23 28068 4 2 1 HEC HAA2 H 4.930 -6.537 12.624 1.00 . D A . 71 HEC HAA2 1 1 23 28069 4 2 1 HEC HAB H -3.868 -9.958 7.735 1.00 . D A . 71 HEC HAB 1 1 23 28070 4 2 1 HEC HAC H -1.028 -4.339 2.948 1.00 . D A . 71 HEC HAC 1 1 23 28071 4 2 1 HEC HAD1 H 5.036 -2.696 6.219 1.00 . D A . 71 HEC HAD1 1 1 23 28072 4 2 1 HEC HAD2 H 4.290 -1.636 7.397 1.00 . D A . 71 HEC HAD2 1 1 23 28073 4 2 1 HEC HBA1 H 5.822 -7.055 10.167 1.00 . D A . 71 HEC HBA1 1 1 23 28074 4 2 1 HEC HBA2 H 6.097 -5.316 10.158 1.00 . D A . 71 HEC HBA2 1 1 23 28075 4 2 1 HEC HBB1 H -3.755 -10.795 10.623 1.00 . D A . 71 HEC HBB1 1 1 23 28076 4 2 1 HEC HBB2 H -3.987 -9.136 10.034 1.00 . D A . 71 HEC HBB2 1 1 23 28077 4 2 1 HEC HBB3 H -5.177 -10.395 9.652 1.00 . D A . 71 HEC HBB3 1 1 23 28078 4 2 1 HEC HBC1 H -3.158 -4.212 1.887 1.00 . D A . 71 HEC HBC1 1 1 23 28079 4 2 1 HEC HBC2 H -3.729 -5.667 2.707 1.00 . D A . 71 HEC HBC2 1 1 23 28080 4 2 1 HEC HBC3 H -3.355 -4.209 3.652 1.00 . D A . 71 HEC HBC3 1 1 23 28081 4 2 1 HEC HBD1 H 5.300 -2.948 9.176 1.00 . D A . 71 HEC HBD1 1 1 23 28082 4 2 1 HEC HBD2 H 5.823 -4.200 8.024 1.00 . D A . 71 HEC HBD2 1 1 23 28083 4 2 1 HEC HHA H 4.079 -4.438 9.606 1.00 . D A . 71 HEC HHA 1 1 23 28084 4 2 1 HEC HHB H 0.882 -9.608 11.408 1.00 . D A . 71 HEC HHB 1 1 23 28085 4 2 1 HEC HHC H -2.658 -9.146 6.183 1.00 . D A . 71 HEC HHC 1 1 23 28086 4 2 1 HEC HHD H 0.614 -4.149 4.209 1.00 . D A . 71 HEC HHD 1 1 23 28087 4 2 1 HEC HMA1 H 2.828 -7.453 13.637 1.00 . D A . 71 HEC HMA1 1 1 23 28088 4 2 1 HEC HMA2 H 2.128 -8.968 13.077 1.00 . D A . 71 HEC HMA2 1 1 23 28089 4 2 1 HEC HMA3 H 3.884 -8.677 12.926 1.00 . D A . 71 HEC HMA3 1 1 23 28090 4 2 1 HEC HMB1 H -1.425 -10.918 11.625 1.00 . D A . 71 HEC HMB1 1 1 23 28091 4 2 1 HEC HMB2 H -1.782 -12.126 10.366 1.00 . D A . 71 HEC HMB2 1 1 23 28092 4 2 1 HEC HMB3 H -0.105 -11.794 10.808 1.00 . D A . 71 HEC HMB3 1 1 23 28093 4 2 1 HEC HMC1 H -2.942 -7.781 2.800 1.00 . D A . 71 HEC HMC1 1 1 23 28094 4 2 1 HEC HMC2 H -2.565 -9.116 3.891 1.00 . D A . 71 HEC HMC2 1 1 23 28095 4 2 1 HEC HMC3 H -3.895 -8.006 4.288 1.00 . D A . 71 HEC HMC3 1 1 23 28096 4 2 1 HEC HMD1 H 2.610 -2.992 3.915 1.00 . D A . 71 HEC HMD1 1 1 23 28097 4 2 1 HEC HMD2 H 1.641 -1.844 4.800 1.00 . D A . 71 HEC HMD2 1 1 23 28098 4 2 1 HEC HMD3 H 3.399 -1.781 4.954 1.00 . D A . 71 HEC HMD3 1 1 23 28099 4 2 1 HEC NA N 1.852 -6.933 9.523 1.00 . D A . 71 HEC NA 1 1 23 28100 4 2 1 HEC NB N -0.248 -8.495 8.431 1.00 . D A . 71 HEC NB 1 1 23 28101 4 2 1 HEC NC N -0.402 -6.694 6.209 1.00 . D A . 71 HEC NC 1 1 23 28102 4 2 1 HEC ND N 1.734 -5.146 7.261 1.00 . D A . 71 HEC ND 1 1 23 28103 4 2 1 HEC O1A O 8.096 -7.240 11.157 1.00 . D A . 71 HEC O1A 1 1 23 28104 4 2 1 HEC O1D O 6.955 -1.316 8.759 1.00 . D A . 71 HEC O1D 1 1 23 28105 4 2 1 HEC O2A O 7.429 -5.705 12.632 1.00 . D A . 71 HEC O2A 1 1 23 28106 4 2 1 HEC O2D O 7.684 -2.718 7.141 1.00 . D A . 71 HEC O2D 1 1 24 28107 1 1 1 ALA C C 9.569 2.655 -8.490 1.00 . A A . 1 ALA C 1 1 24 28108 1 1 1 ALA CA C 11.051 2.812 -8.167 1.00 . A A . 1 ALA CA 1 1 24 28109 1 1 1 ALA CB C 11.918 1.630 -8.621 1.00 . A A . 1 ALA CB 1 1 24 28110 1 1 1 ALA H1 H 11.009 2.175 -6.220 1.00 . A A . 1 ALA H1 1 1 24 28111 1 1 1 ALA H2 H 12.054 3.442 -6.466 1.00 . A A . 1 ALA H2 1 1 24 28112 1 1 1 ALA H3 H 10.405 3.674 -6.470 1.00 . A A . 1 ALA H3 1 1 24 28113 1 1 1 ALA HA H 11.399 3.709 -8.683 1.00 . A A . 1 ALA HA 1 1 24 28114 1 1 1 ALA HB1 H 11.557 0.700 -8.181 1.00 . A A . 1 ALA HB1 1 1 24 28115 1 1 1 ALA HB2 H 11.896 1.543 -9.709 1.00 . A A . 1 ALA HB2 1 1 24 28116 1 1 1 ALA HB3 H 12.952 1.794 -8.317 1.00 . A A . 1 ALA HB3 1 1 24 28117 1 1 1 ALA N N 11.162 3.042 -6.714 1.00 . A A . 1 ALA N 1 1 24 28118 1 1 1 ALA O O 8.770 3.263 -7.784 1.00 . A A . 1 ALA O 1 1 24 28119 1 1 2 ASP C C 7.204 0.463 -9.083 1.00 . A A . 2 ASP C 1 1 24 28120 1 1 2 ASP CA C 7.830 1.591 -9.913 1.00 . A A . 2 ASP CA 1 1 24 28121 1 1 2 ASP CB C 7.884 1.207 -11.396 1.00 . A A . 2 ASP CB 1 1 24 28122 1 1 2 ASP CG C 8.634 -0.103 -11.588 1.00 . A A . 2 ASP CG 1 1 24 28123 1 1 2 ASP H H 9.883 1.313 -10.021 1.00 . A A . 2 ASP H 1 1 24 28124 1 1 2 ASP HA H 7.207 2.478 -9.777 1.00 . A A . 2 ASP HA 1 1 24 28125 1 1 2 ASP HB2 H 6.882 1.084 -11.792 1.00 . A A . 2 ASP HB2 1 1 24 28126 1 1 2 ASP HB3 H 8.384 1.990 -11.967 1.00 . A A . 2 ASP HB3 1 1 24 28127 1 1 2 ASP N N 9.200 1.865 -9.497 1.00 . A A . 2 ASP N 1 1 24 28128 1 1 2 ASP O O 5.991 0.272 -9.109 1.00 . A A . 2 ASP O 1 1 24 28129 1 1 2 ASP OD1 O 9.801 -0.133 -11.134 1.00 . A A . 2 ASP OD1 1 1 24 28130 1 1 2 ASP OD2 O 8.017 -1.037 -12.142 1.00 . A A . 2 ASP OD2 1 1 24 28131 1 1 3 VAL C C 8.634 -1.164 -6.195 1.00 . A A . 3 VAL C 1 1 24 28132 1 1 3 VAL CA C 7.588 -1.218 -7.307 1.00 . A A . 3 VAL CA 1 1 24 28133 1 1 3 VAL CB C 7.436 -2.611 -7.954 1.00 . A A . 3 VAL CB 1 1 24 28134 1 1 3 VAL CG1 C 8.658 -3.021 -8.789 1.00 . A A . 3 VAL CG1 1 1 24 28135 1 1 3 VAL CG2 C 7.151 -3.708 -6.919 1.00 . A A . 3 VAL CG2 1 1 24 28136 1 1 3 VAL H H 9.013 -0.109 -8.369 1.00 . A A . 3 VAL H 1 1 24 28137 1 1 3 VAL HA H 6.632 -0.907 -6.885 1.00 . A A . 3 VAL HA 1 1 24 28138 1 1 3 VAL HB H 6.580 -2.566 -8.629 1.00 . A A . 3 VAL HB 1 1 24 28139 1 1 3 VAL HG11 H 8.498 -4.016 -9.204 1.00 . A A . 3 VAL HG11 1 1 24 28140 1 1 3 VAL HG12 H 8.804 -2.331 -9.621 1.00 . A A . 3 VAL HG12 1 1 24 28141 1 1 3 VAL HG13 H 9.557 -3.035 -8.173 1.00 . A A . 3 VAL HG13 1 1 24 28142 1 1 3 VAL HG21 H 6.293 -3.436 -6.308 1.00 . A A . 3 VAL HG21 1 1 24 28143 1 1 3 VAL HG22 H 6.925 -4.642 -7.435 1.00 . A A . 3 VAL HG22 1 1 24 28144 1 1 3 VAL HG23 H 8.017 -3.866 -6.276 1.00 . A A . 3 VAL HG23 1 1 24 28145 1 1 3 VAL N N 8.015 -0.255 -8.307 1.00 . A A . 3 VAL N 1 1 24 28146 1 1 3 VAL O O 9.800 -0.879 -6.482 1.00 . A A . 3 VAL O 1 1 24 28147 1 1 4 VAL C C 8.643 -2.600 -2.909 1.00 . A A . 4 VAL C 1 1 24 28148 1 1 4 VAL CA C 9.145 -1.476 -3.809 1.00 . A A . 4 VAL CA 1 1 24 28149 1 1 4 VAL CB C 9.224 -0.118 -3.077 1.00 . A A . 4 VAL CB 1 1 24 28150 1 1 4 VAL CG1 C 9.855 -0.188 -1.676 1.00 . A A . 4 VAL CG1 1 1 24 28151 1 1 4 VAL CG2 C 10.039 0.874 -3.912 1.00 . A A . 4 VAL CG2 1 1 24 28152 1 1 4 VAL H H 7.253 -1.579 -4.722 1.00 . A A . 4 VAL H 1 1 24 28153 1 1 4 VAL HA H 10.143 -1.761 -4.145 1.00 . A A . 4 VAL HA 1 1 24 28154 1 1 4 VAL HB H 8.216 0.280 -2.970 1.00 . A A . 4 VAL HB 1 1 24 28155 1 1 4 VAL HG11 H 9.239 -0.780 -0.996 1.00 . A A . 4 VAL HG11 1 1 24 28156 1 1 4 VAL HG12 H 10.853 -0.622 -1.728 1.00 . A A . 4 VAL HG12 1 1 24 28157 1 1 4 VAL HG13 H 9.931 0.815 -1.256 1.00 . A A . 4 VAL HG13 1 1 24 28158 1 1 4 VAL HG21 H 11.009 0.440 -4.156 1.00 . A A . 4 VAL HG21 1 1 24 28159 1 1 4 VAL HG22 H 9.499 1.120 -4.825 1.00 . A A . 4 VAL HG22 1 1 24 28160 1 1 4 VAL HG23 H 10.199 1.790 -3.349 1.00 . A A . 4 VAL HG23 1 1 24 28161 1 1 4 VAL N N 8.232 -1.382 -4.939 1.00 . A A . 4 VAL N 1 1 24 28162 1 1 4 VAL O O 7.502 -3.053 -3.033 1.00 . A A . 4 VAL O 1 1 24 28163 1 1 5 THR C C 9.597 -3.133 0.460 1.00 . A A . 5 THR C 1 1 24 28164 1 1 5 THR CA C 9.018 -3.730 -0.815 1.00 . A A . 5 THR CA 1 1 24 28165 1 1 5 THR CB C 9.266 -5.239 -0.929 1.00 . A A . 5 THR CB 1 1 24 28166 1 1 5 THR CG2 C 10.745 -5.631 -0.957 1.00 . A A . 5 THR CG2 1 1 24 28167 1 1 5 THR H H 10.428 -2.651 -1.921 1.00 . A A . 5 THR H 1 1 24 28168 1 1 5 THR HA H 7.955 -3.525 -0.761 1.00 . A A . 5 THR HA 1 1 24 28169 1 1 5 THR HB H 8.787 -5.604 -1.837 1.00 . A A . 5 THR HB 1 1 24 28170 1 1 5 THR HG1 H 7.842 -5.352 0.329 1.00 . A A . 5 THR HG1 1 1 24 28171 1 1 5 THR HG21 H 10.827 -6.711 -1.079 1.00 . A A . 5 THR HG21 1 1 24 28172 1 1 5 THR HG22 H 11.249 -5.142 -1.791 1.00 . A A . 5 THR HG22 1 1 24 28173 1 1 5 THR HG23 H 11.235 -5.348 -0.024 1.00 . A A . 5 THR HG23 1 1 24 28174 1 1 5 THR N N 9.499 -3.042 -1.985 1.00 . A A . 5 THR N 1 1 24 28175 1 1 5 THR O O 10.768 -2.760 0.500 1.00 . A A . 5 THR O 1 1 24 28176 1 1 5 THR OG1 O 8.651 -5.851 0.174 1.00 . A A . 5 THR OG1 1 1 24 28177 1 1 6 TYR C C 9.488 -4.522 3.230 1.00 . A A . 6 TYR C 1 1 24 28178 1 1 6 TYR CA C 9.243 -3.062 2.868 1.00 . A A . 6 TYR CA 1 1 24 28179 1 1 6 TYR CB C 8.211 -2.431 3.815 1.00 . A A . 6 TYR CB 1 1 24 28180 1 1 6 TYR CD1 C 8.546 -0.050 3.021 1.00 . A A . 6 TYR CD1 1 1 24 28181 1 1 6 TYR CD2 C 6.278 -0.909 3.226 1.00 . A A . 6 TYR CD2 1 1 24 28182 1 1 6 TYR CE1 C 8.038 1.181 2.575 1.00 . A A . 6 TYR CE1 1 1 24 28183 1 1 6 TYR CE2 C 5.772 0.326 2.787 1.00 . A A . 6 TYR CE2 1 1 24 28184 1 1 6 TYR CG C 7.666 -1.092 3.363 1.00 . A A . 6 TYR CG 1 1 24 28185 1 1 6 TYR CZ C 6.650 1.395 2.544 1.00 . A A . 6 TYR CZ 1 1 24 28186 1 1 6 TYR H H 7.813 -3.389 1.361 1.00 . A A . 6 TYR H 1 1 24 28187 1 1 6 TYR HA H 10.172 -2.496 2.942 1.00 . A A . 6 TYR HA 1 1 24 28188 1 1 6 TYR HB2 H 7.378 -3.119 3.953 1.00 . A A . 6 TYR HB2 1 1 24 28189 1 1 6 TYR HB3 H 8.677 -2.298 4.793 1.00 . A A . 6 TYR HB3 1 1 24 28190 1 1 6 TYR HD1 H 9.614 -0.195 3.082 1.00 . A A . 6 TYR HD1 1 1 24 28191 1 1 6 TYR HD2 H 5.597 -1.717 3.440 1.00 . A A . 6 TYR HD2 1 1 24 28192 1 1 6 TYR HE1 H 8.720 1.942 2.232 1.00 . A A . 6 TYR HE1 1 1 24 28193 1 1 6 TYR HE2 H 4.718 0.429 2.583 1.00 . A A . 6 TYR HE2 1 1 24 28194 1 1 6 TYR HH H 6.839 3.187 1.856 1.00 . A A . 6 TYR HH 1 1 24 28195 1 1 6 TYR N N 8.762 -3.076 1.501 1.00 . A A . 6 TYR N 1 1 24 28196 1 1 6 TYR O O 8.533 -5.298 3.320 1.00 . A A . 6 TYR O 1 1 24 28197 1 1 6 TYR OH O 6.160 2.628 2.238 1.00 . A A . 6 TYR OH 1 1 24 28198 1 1 7 GLU C C 10.849 -6.078 5.499 1.00 . A A . 7 GLU C 1 1 24 28199 1 1 7 GLU CA C 11.128 -6.164 3.995 1.00 . A A . 7 GLU CA 1 1 24 28200 1 1 7 GLU CB C 12.590 -6.505 3.670 1.00 . A A . 7 GLU CB 1 1 24 28201 1 1 7 GLU CD C 15.019 -5.860 3.744 1.00 . A A . 7 GLU CD 1 1 24 28202 1 1 7 GLU CG C 13.593 -5.380 3.972 1.00 . A A . 7 GLU CG 1 1 24 28203 1 1 7 GLU H H 11.487 -4.222 3.249 1.00 . A A . 7 GLU H 1 1 24 28204 1 1 7 GLU HA H 10.506 -6.944 3.563 1.00 . A A . 7 GLU HA 1 1 24 28205 1 1 7 GLU HB2 H 12.881 -7.390 4.238 1.00 . A A . 7 GLU HB2 1 1 24 28206 1 1 7 GLU HB3 H 12.672 -6.745 2.607 1.00 . A A . 7 GLU HB3 1 1 24 28207 1 1 7 GLU HG2 H 13.432 -4.525 3.318 1.00 . A A . 7 GLU HG2 1 1 24 28208 1 1 7 GLU HG3 H 13.500 -5.058 5.009 1.00 . A A . 7 GLU HG3 1 1 24 28209 1 1 7 GLU N N 10.756 -4.901 3.390 1.00 . A A . 7 GLU N 1 1 24 28210 1 1 7 GLU O O 11.158 -5.068 6.128 1.00 . A A . 7 GLU O 1 1 24 28211 1 1 7 GLU OE1 O 15.375 -6.021 2.558 1.00 . A A . 7 GLU OE1 1 1 24 28212 1 1 7 GLU OE2 O 15.716 -6.076 4.759 1.00 . A A . 7 GLU OE2 1 1 24 28213 1 1 8 ASN C C 9.980 -8.498 8.051 1.00 . A A . 8 ASN C 1 1 24 28214 1 1 8 ASN CA C 9.799 -7.104 7.476 1.00 . A A . 8 ASN CA 1 1 24 28215 1 1 8 ASN CB C 8.330 -6.667 7.664 1.00 . A A . 8 ASN CB 1 1 24 28216 1 1 8 ASN CG C 7.829 -5.779 6.542 1.00 . A A . 8 ASN CG 1 1 24 28217 1 1 8 ASN H H 9.973 -7.920 5.534 1.00 . A A . 8 ASN H 1 1 24 28218 1 1 8 ASN HA H 10.435 -6.420 8.042 1.00 . A A . 8 ASN HA 1 1 24 28219 1 1 8 ASN HB2 H 7.682 -7.544 7.700 1.00 . A A . 8 ASN HB2 1 1 24 28220 1 1 8 ASN HB3 H 8.229 -6.134 8.611 1.00 . A A . 8 ASN HB3 1 1 24 28221 1 1 8 ASN HD21 H 7.519 -7.405 5.385 1.00 . A A . 8 ASN HD21 1 1 24 28222 1 1 8 ASN HD22 H 7.321 -5.816 4.641 1.00 . A A . 8 ASN HD22 1 1 24 28223 1 1 8 ASN N N 10.215 -7.105 6.076 1.00 . A A . 8 ASN N 1 1 24 28224 1 1 8 ASN ND2 N 7.380 -6.405 5.464 1.00 . A A . 8 ASN ND2 1 1 24 28225 1 1 8 ASN O O 10.330 -9.443 7.347 1.00 . A A . 8 ASN O 1 1 24 28226 1 1 8 ASN OD1 O 7.894 -4.561 6.603 1.00 . A A . 8 ASN OD1 1 1 24 28227 1 1 9 LYS C C 8.755 -10.866 9.671 1.00 . A A . 9 LYS C 1 1 24 28228 1 1 9 LYS CA C 9.836 -9.860 10.086 1.00 . A A . 9 LYS CA 1 1 24 28229 1 1 9 LYS CB C 9.760 -9.524 11.581 1.00 . A A . 9 LYS CB 1 1 24 28230 1 1 9 LYS CD C 11.478 -9.510 13.400 1.00 . A A . 9 LYS CD 1 1 24 28231 1 1 9 LYS CE C 12.650 -8.830 12.664 1.00 . A A . 9 LYS CE 1 1 24 28232 1 1 9 LYS CG C 10.671 -10.404 12.451 1.00 . A A . 9 LYS CG 1 1 24 28233 1 1 9 LYS H H 9.396 -7.794 9.845 1.00 . A A . 9 LYS H 1 1 24 28234 1 1 9 LYS HA H 10.816 -10.274 9.844 1.00 . A A . 9 LYS HA 1 1 24 28235 1 1 9 LYS HB2 H 10.049 -8.481 11.712 1.00 . A A . 9 LYS HB2 1 1 24 28236 1 1 9 LYS HB3 H 8.731 -9.604 11.934 1.00 . A A . 9 LYS HB3 1 1 24 28237 1 1 9 LYS HD2 H 10.785 -8.772 13.812 1.00 . A A . 9 LYS HD2 1 1 24 28238 1 1 9 LYS HD3 H 11.863 -10.129 14.212 1.00 . A A . 9 LYS HD3 1 1 24 28239 1 1 9 LYS HE2 H 13.374 -9.594 12.368 1.00 . A A . 9 LYS HE2 1 1 24 28240 1 1 9 LYS HE3 H 12.293 -8.338 11.758 1.00 . A A . 9 LYS HE3 1 1 24 28241 1 1 9 LYS HG2 H 10.044 -11.078 13.038 1.00 . A A . 9 LYS HG2 1 1 24 28242 1 1 9 LYS HG3 H 11.348 -11.016 11.853 1.00 . A A . 9 LYS HG3 1 1 24 28243 1 1 9 LYS HZ1 H 14.096 -7.409 12.978 1.00 . A A . 9 LYS HZ1 1 1 24 28244 1 1 9 LYS HZ2 H 12.688 -7.083 13.754 1.00 . A A . 9 LYS HZ2 1 1 24 28245 1 1 9 LYS HZ3 H 13.704 -8.244 14.338 1.00 . A A . 9 LYS HZ3 1 1 24 28246 1 1 9 LYS N N 9.698 -8.619 9.346 1.00 . A A . 9 LYS N 1 1 24 28247 1 1 9 LYS NZ N 13.333 -7.819 13.499 1.00 . A A . 9 LYS NZ 1 1 24 28248 1 1 9 LYS O O 8.986 -12.069 9.686 1.00 . A A . 9 LYS O 1 1 24 28249 1 1 10 LYS C C 6.791 -11.789 7.486 1.00 . A A . 10 LYS C 1 1 24 28250 1 1 10 LYS CA C 6.444 -11.163 8.843 1.00 . A A . 10 LYS CA 1 1 24 28251 1 1 10 LYS CB C 5.170 -10.305 8.702 1.00 . A A . 10 LYS CB 1 1 24 28252 1 1 10 LYS CD C 3.926 -10.414 10.963 1.00 . A A . 10 LYS CD 1 1 24 28253 1 1 10 LYS CE C 4.749 -11.402 11.799 1.00 . A A . 10 LYS CE 1 1 24 28254 1 1 10 LYS CG C 4.704 -9.560 9.952 1.00 . A A . 10 LYS CG 1 1 24 28255 1 1 10 LYS H H 7.463 -9.360 9.445 1.00 . A A . 10 LYS H 1 1 24 28256 1 1 10 LYS HA H 6.261 -11.989 9.526 1.00 . A A . 10 LYS HA 1 1 24 28257 1 1 10 LYS HB2 H 5.350 -9.517 7.972 1.00 . A A . 10 LYS HB2 1 1 24 28258 1 1 10 LYS HB3 H 4.354 -10.926 8.328 1.00 . A A . 10 LYS HB3 1 1 24 28259 1 1 10 LYS HD2 H 3.440 -9.726 11.651 1.00 . A A . 10 LYS HD2 1 1 24 28260 1 1 10 LYS HD3 H 3.133 -10.956 10.442 1.00 . A A . 10 LYS HD3 1 1 24 28261 1 1 10 LYS HE2 H 4.142 -11.702 12.655 1.00 . A A . 10 LYS HE2 1 1 24 28262 1 1 10 LYS HE3 H 4.959 -12.290 11.209 1.00 . A A . 10 LYS HE3 1 1 24 28263 1 1 10 LYS HG2 H 5.545 -9.045 10.399 1.00 . A A . 10 LYS HG2 1 1 24 28264 1 1 10 LYS HG3 H 4.025 -8.778 9.604 1.00 . A A . 10 LYS HG3 1 1 24 28265 1 1 10 LYS HZ1 H 5.878 -9.894 12.688 1.00 . A A . 10 LYS HZ1 1 1 24 28266 1 1 10 LYS HZ2 H 6.449 -11.413 12.992 1.00 . A A . 10 LYS HZ2 1 1 24 28267 1 1 10 LYS HZ3 H 6.652 -10.681 11.530 1.00 . A A . 10 LYS HZ3 1 1 24 28268 1 1 10 LYS N N 7.556 -10.362 9.359 1.00 . A A . 10 LYS N 1 1 24 28269 1 1 10 LYS NZ N 6.014 -10.829 12.296 1.00 . A A . 10 LYS NZ 1 1 24 28270 1 1 10 LYS O O 7.028 -12.988 7.378 1.00 . A A . 10 LYS O 1 1 24 28271 1 1 11 GLY C C 7.592 -9.975 4.467 1.00 . A A . 11 GLY C 1 1 24 28272 1 1 11 GLY CA C 7.097 -11.279 5.077 1.00 . A A . 11 GLY CA 1 1 24 28273 1 1 11 GLY H H 6.609 -9.978 6.609 1.00 . A A . 11 GLY H 1 1 24 28274 1 1 11 GLY HA2 H 7.887 -12.030 5.026 1.00 . A A . 11 GLY HA2 1 1 24 28275 1 1 11 GLY HA3 H 6.210 -11.643 4.563 1.00 . A A . 11 GLY HA3 1 1 24 28276 1 1 11 GLY N N 6.766 -10.959 6.445 1.00 . A A . 11 GLY N 1 1 24 28277 1 1 11 GLY O O 8.104 -9.115 5.191 1.00 . A A . 11 GLY O 1 1 24 28278 1 1 12 ASN C C 6.796 -7.959 1.739 1.00 . A A . 12 ASN C 1 1 24 28279 1 1 12 ASN CA C 7.964 -8.599 2.478 1.00 . A A . 12 ASN CA 1 1 24 28280 1 1 12 ASN CB C 9.128 -8.961 1.553 1.00 . A A . 12 ASN CB 1 1 24 28281 1 1 12 ASN CG C 10.331 -9.613 2.250 1.00 . A A . 12 ASN CG 1 1 24 28282 1 1 12 ASN H H 6.900 -10.437 2.613 1.00 . A A . 12 ASN H 1 1 24 28283 1 1 12 ASN HA H 8.348 -7.865 3.185 1.00 . A A . 12 ASN HA 1 1 24 28284 1 1 12 ASN HB2 H 8.747 -9.624 0.779 1.00 . A A . 12 ASN HB2 1 1 24 28285 1 1 12 ASN HB3 H 9.489 -8.054 1.070 1.00 . A A . 12 ASN HB3 1 1 24 28286 1 1 12 ASN HD21 H 9.683 -9.179 4.152 1.00 . A A . 12 ASN HD21 1 1 24 28287 1 1 12 ASN HD22 H 11.225 -9.996 4.022 1.00 . A A . 12 ASN HD22 1 1 24 28288 1 1 12 ASN N N 7.458 -9.784 3.158 1.00 . A A . 12 ASN N 1 1 24 28289 1 1 12 ASN ND2 N 10.428 -9.565 3.581 1.00 . A A . 12 ASN ND2 1 1 24 28290 1 1 12 ASN O O 6.262 -8.532 0.791 1.00 . A A . 12 ASN O 1 1 24 28291 1 1 12 ASN OD1 O 11.190 -10.179 1.584 1.00 . A A . 12 ASN OD1 1 1 24 28292 1 1 13 VAL C C 5.485 -5.686 0.314 1.00 . A A . 13 VAL C 1 1 24 28293 1 1 13 VAL CA C 5.204 -6.072 1.753 1.00 . A A . 13 VAL CA 1 1 24 28294 1 1 13 VAL CB C 4.932 -4.826 2.608 1.00 . A A . 13 VAL CB 1 1 24 28295 1 1 13 VAL CG1 C 3.859 -3.923 1.977 1.00 . A A . 13 VAL CG1 1 1 24 28296 1 1 13 VAL CG2 C 4.454 -5.232 4.008 1.00 . A A . 13 VAL CG2 1 1 24 28297 1 1 13 VAL H H 7.023 -6.312 2.841 1.00 . A A . 13 VAL H 1 1 24 28298 1 1 13 VAL HA H 4.328 -6.704 1.816 1.00 . A A . 13 VAL HA 1 1 24 28299 1 1 13 VAL HB H 5.856 -4.256 2.692 1.00 . A A . 13 VAL HB 1 1 24 28300 1 1 13 VAL HG11 H 3.867 -2.963 2.484 1.00 . A A . 13 VAL HG11 1 1 24 28301 1 1 13 VAL HG12 H 4.037 -3.713 0.926 1.00 . A A . 13 VAL HG12 1 1 24 28302 1 1 13 VAL HG13 H 2.880 -4.388 2.069 1.00 . A A . 13 VAL HG13 1 1 24 28303 1 1 13 VAL HG21 H 4.454 -4.358 4.656 1.00 . A A . 13 VAL HG21 1 1 24 28304 1 1 13 VAL HG22 H 3.448 -5.649 3.962 1.00 . A A . 13 VAL HG22 1 1 24 28305 1 1 13 VAL HG23 H 5.112 -5.982 4.435 1.00 . A A . 13 VAL HG23 1 1 24 28306 1 1 13 VAL N N 6.375 -6.791 2.231 1.00 . A A . 13 VAL N 1 1 24 28307 1 1 13 VAL O O 6.176 -4.696 0.090 1.00 . A A . 13 VAL O 1 1 24 28308 1 1 14 THR C C 4.338 -5.248 -2.614 1.00 . A A . 14 THR C 1 1 24 28309 1 1 14 THR CA C 5.345 -6.244 -2.039 1.00 . A A . 14 THR CA 1 1 24 28310 1 1 14 THR CB C 5.369 -7.607 -2.745 1.00 . A A . 14 THR CB 1 1 24 28311 1 1 14 THR CG2 C 5.832 -7.478 -4.200 1.00 . A A . 14 THR CG2 1 1 24 28312 1 1 14 THR H H 4.456 -7.279 -0.377 1.00 . A A . 14 THR H 1 1 24 28313 1 1 14 THR HA H 6.348 -5.821 -2.126 1.00 . A A . 14 THR HA 1 1 24 28314 1 1 14 THR HB H 4.373 -8.054 -2.721 1.00 . A A . 14 THR HB 1 1 24 28315 1 1 14 THR HG1 H 6.102 -8.451 -1.115 1.00 . A A . 14 THR HG1 1 1 24 28316 1 1 14 THR HG21 H 5.887 -8.470 -4.649 1.00 . A A . 14 THR HG21 1 1 24 28317 1 1 14 THR HG22 H 5.127 -6.872 -4.770 1.00 . A A . 14 THR HG22 1 1 24 28318 1 1 14 THR HG23 H 6.819 -7.017 -4.238 1.00 . A A . 14 THR HG23 1 1 24 28319 1 1 14 THR N N 5.007 -6.465 -0.645 1.00 . A A . 14 THR N 1 1 24 28320 1 1 14 THR O O 3.242 -5.655 -2.999 1.00 . A A . 14 THR O 1 1 24 28321 1 1 14 THR OG1 O 6.279 -8.458 -2.068 1.00 . A A . 14 THR OG1 1 1 24 28322 1 1 15 PHE C C 4.217 -2.335 -4.424 1.00 . A A . 15 PHE C 1 1 24 28323 1 1 15 PHE CA C 3.757 -2.905 -3.084 1.00 . A A . 15 PHE CA 1 1 24 28324 1 1 15 PHE CB C 3.535 -1.822 -2.019 1.00 . A A . 15 PHE CB 1 1 24 28325 1 1 15 PHE CD1 C 5.622 -1.352 -0.688 1.00 . A A . 15 PHE CD1 1 1 24 28326 1 1 15 PHE CD2 C 4.842 0.330 -2.270 1.00 . A A . 15 PHE CD2 1 1 24 28327 1 1 15 PHE CE1 C 6.629 -0.480 -0.259 1.00 . A A . 15 PHE CE1 1 1 24 28328 1 1 15 PHE CE2 C 5.841 1.210 -1.826 1.00 . A A . 15 PHE CE2 1 1 24 28329 1 1 15 PHE CG C 4.718 -0.945 -1.684 1.00 . A A . 15 PHE CG 1 1 24 28330 1 1 15 PHE CZ C 6.713 0.813 -0.799 1.00 . A A . 15 PHE CZ 1 1 24 28331 1 1 15 PHE H H 5.623 -3.665 -2.406 1.00 . A A . 15 PHE H 1 1 24 28332 1 1 15 PHE HA H 2.765 -3.338 -3.231 1.00 . A A . 15 PHE HA 1 1 24 28333 1 1 15 PHE HB2 H 2.728 -1.172 -2.355 1.00 . A A . 15 PHE HB2 1 1 24 28334 1 1 15 PHE HB3 H 3.205 -2.296 -1.097 1.00 . A A . 15 PHE HB3 1 1 24 28335 1 1 15 PHE HD1 H 5.538 -2.327 -0.238 1.00 . A A . 15 PHE HD1 1 1 24 28336 1 1 15 PHE HD2 H 4.183 0.631 -3.073 1.00 . A A . 15 PHE HD2 1 1 24 28337 1 1 15 PHE HE1 H 7.333 -0.797 0.494 1.00 . A A . 15 PHE HE1 1 1 24 28338 1 1 15 PHE HE2 H 5.977 2.175 -2.297 1.00 . A A . 15 PHE HE2 1 1 24 28339 1 1 15 PHE HZ H 7.494 1.478 -0.474 1.00 . A A . 15 PHE HZ 1 1 24 28340 1 1 15 PHE N N 4.672 -3.948 -2.629 1.00 . A A . 15 PHE N 1 1 24 28341 1 1 15 PHE O O 5.322 -1.805 -4.564 1.00 . A A . 15 PHE O 1 1 24 28342 1 1 16 ASP C C 3.278 -0.282 -6.481 1.00 . A A . 16 ASP C 1 1 24 28343 1 1 16 ASP CA C 3.511 -1.784 -6.697 1.00 . A A . 16 ASP CA 1 1 24 28344 1 1 16 ASP CB C 2.546 -2.413 -7.705 1.00 . A A . 16 ASP CB 1 1 24 28345 1 1 16 ASP CG C 2.764 -1.850 -9.093 1.00 . A A . 16 ASP CG 1 1 24 28346 1 1 16 ASP H H 2.451 -2.886 -5.242 1.00 . A A . 16 ASP H 1 1 24 28347 1 1 16 ASP HA H 4.526 -1.951 -7.055 1.00 . A A . 16 ASP HA 1 1 24 28348 1 1 16 ASP HB2 H 2.716 -3.490 -7.740 1.00 . A A . 16 ASP HB2 1 1 24 28349 1 1 16 ASP HB3 H 1.517 -2.232 -7.407 1.00 . A A . 16 ASP HB3 1 1 24 28350 1 1 16 ASP N N 3.342 -2.451 -5.422 1.00 . A A . 16 ASP N 1 1 24 28351 1 1 16 ASP O O 2.360 0.098 -5.757 1.00 . A A . 16 ASP O 1 1 24 28352 1 1 16 ASP OD1 O 2.729 -0.611 -9.215 1.00 . A A . 16 ASP OD1 1 1 24 28353 1 1 16 ASP OD2 O 2.925 -2.647 -10.042 1.00 . A A . 16 ASP OD2 1 1 24 28354 1 1 17 HIS C C 3.825 2.743 -8.188 1.00 . A A . 17 HIS C 1 1 24 28355 1 1 17 HIS CA C 4.173 2.000 -6.883 1.00 . A A . 17 HIS CA 1 1 24 28356 1 1 17 HIS CB C 5.581 2.344 -6.376 1.00 . A A . 17 HIS CB 1 1 24 28357 1 1 17 HIS CD2 C 5.018 4.559 -5.202 1.00 . A A . 17 HIS CD2 1 1 24 28358 1 1 17 HIS CE1 C 6.452 5.867 -6.221 1.00 . A A . 17 HIS CE1 1 1 24 28359 1 1 17 HIS CG C 5.791 3.790 -6.029 1.00 . A A . 17 HIS CG 1 1 24 28360 1 1 17 HIS H H 4.777 0.171 -7.752 1.00 . A A . 17 HIS H 1 1 24 28361 1 1 17 HIS HA H 3.449 2.303 -6.126 1.00 . A A . 17 HIS HA 1 1 24 28362 1 1 17 HIS HB2 H 5.816 1.742 -5.501 1.00 . A A . 17 HIS HB2 1 1 24 28363 1 1 17 HIS HB3 H 6.303 2.087 -7.148 1.00 . A A . 17 HIS HB3 1 1 24 28364 1 1 17 HIS HD1 H 7.379 4.335 -7.337 1.00 . A A . 17 HIS HD1 1 1 24 28365 1 1 17 HIS HD2 H 4.192 4.221 -4.600 1.00 . A A . 17 HIS HD2 1 1 24 28366 1 1 17 HIS HE1 H 6.983 6.747 -6.545 1.00 . A A . 17 HIS HE1 1 1 24 28367 1 1 17 HIS N N 4.132 0.556 -7.069 1.00 . A A . 17 HIS N 1 1 24 28368 1 1 17 HIS ND1 N 6.684 4.622 -6.659 1.00 . A A . 17 HIS ND1 1 1 24 28369 1 1 17 HIS NE2 N 5.450 5.881 -5.333 1.00 . A A . 17 HIS NE2 1 1 24 28370 1 1 17 HIS O O 3.976 3.959 -8.274 1.00 . A A . 17 HIS O 1 1 24 28371 1 1 18 LYS C C 1.707 2.137 -11.017 1.00 . A A . 18 LYS C 1 1 24 28372 1 1 18 LYS CA C 3.090 2.577 -10.536 1.00 . A A . 18 LYS CA 1 1 24 28373 1 1 18 LYS CB C 4.285 2.341 -11.465 1.00 . A A . 18 LYS CB 1 1 24 28374 1 1 18 LYS CD C 4.178 -0.037 -12.282 1.00 . A A . 18 LYS CD 1 1 24 28375 1 1 18 LYS CE C 3.246 -0.937 -13.099 1.00 . A A . 18 LYS CE 1 1 24 28376 1 1 18 LYS CG C 3.991 1.438 -12.653 1.00 . A A . 18 LYS CG 1 1 24 28377 1 1 18 LYS H H 3.212 1.028 -9.089 1.00 . A A . 18 LYS H 1 1 24 28378 1 1 18 LYS HA H 3.039 3.656 -10.526 1.00 . A A . 18 LYS HA 1 1 24 28379 1 1 18 LYS HB2 H 4.609 3.306 -11.855 1.00 . A A . 18 LYS HB2 1 1 24 28380 1 1 18 LYS HB3 H 5.116 1.947 -10.889 1.00 . A A . 18 LYS HB3 1 1 24 28381 1 1 18 LYS HD2 H 5.219 -0.323 -12.453 1.00 . A A . 18 LYS HD2 1 1 24 28382 1 1 18 LYS HD3 H 3.984 -0.167 -11.219 1.00 . A A . 18 LYS HD3 1 1 24 28383 1 1 18 LYS HE2 H 2.216 -0.588 -13.000 1.00 . A A . 18 LYS HE2 1 1 24 28384 1 1 18 LYS HE3 H 3.522 -0.887 -14.153 1.00 . A A . 18 LYS HE3 1 1 24 28385 1 1 18 LYS HG2 H 3.005 1.675 -13.051 1.00 . A A . 18 LYS HG2 1 1 24 28386 1 1 18 LYS HG3 H 4.705 1.698 -13.417 1.00 . A A . 18 LYS HG3 1 1 24 28387 1 1 18 LYS HZ1 H 4.263 -2.684 -12.697 1.00 . A A . 18 LYS HZ1 1 1 24 28388 1 1 18 LYS HZ2 H 3.071 -2.366 -11.632 1.00 . A A . 18 LYS HZ2 1 1 24 28389 1 1 18 LYS HZ3 H 2.681 -2.919 -13.125 1.00 . A A . 18 LYS HZ3 1 1 24 28390 1 1 18 LYS N N 3.355 2.029 -9.214 1.00 . A A . 18 LYS N 1 1 24 28391 1 1 18 LYS NZ N 3.322 -2.329 -12.619 1.00 . A A . 18 LYS NZ 1 1 24 28392 1 1 18 LYS O O 0.908 2.979 -11.403 1.00 . A A . 18 LYS O 1 1 24 28393 1 1 19 ALA C C -0.936 1.220 -10.171 1.00 . A A . 19 ALA C 1 1 24 28394 1 1 19 ALA CA C -0.002 0.368 -11.028 1.00 . A A . 19 ALA CA 1 1 24 28395 1 1 19 ALA CB C -0.092 -1.080 -10.560 1.00 . A A . 19 ALA CB 1 1 24 28396 1 1 19 ALA H H 2.072 0.226 -10.521 1.00 . A A . 19 ALA H 1 1 24 28397 1 1 19 ALA HA H -0.298 0.388 -12.073 1.00 . A A . 19 ALA HA 1 1 24 28398 1 1 19 ALA HB1 H 0.147 -1.126 -9.498 1.00 . A A . 19 ALA HB1 1 1 24 28399 1 1 19 ALA HB2 H -1.110 -1.437 -10.708 1.00 . A A . 19 ALA HB2 1 1 24 28400 1 1 19 ALA HB3 H 0.599 -1.700 -11.129 1.00 . A A . 19 ALA HB3 1 1 24 28401 1 1 19 ALA N N 1.367 0.855 -10.896 1.00 . A A . 19 ALA N 1 1 24 28402 1 1 19 ALA O O -1.941 1.754 -10.638 1.00 . A A . 19 ALA O 1 1 24 28403 1 1 20 HIS C C -1.378 3.649 -8.384 1.00 . A A . 20 HIS C 1 1 24 28404 1 1 20 HIS CA C -1.294 2.180 -7.940 1.00 . A A . 20 HIS CA 1 1 24 28405 1 1 20 HIS CB C -0.635 2.031 -6.562 1.00 . A A . 20 HIS CB 1 1 24 28406 1 1 20 HIS CD2 C -1.780 0.553 -4.809 1.00 . A A . 20 HIS CD2 1 1 24 28407 1 1 20 HIS CE1 C -1.102 -1.430 -5.420 1.00 . A A . 20 HIS CE1 1 1 24 28408 1 1 20 HIS CG C -0.939 0.716 -5.875 1.00 . A A . 20 HIS CG 1 1 24 28409 1 1 20 HIS H H 0.329 0.988 -8.618 1.00 . A A . 20 HIS H 1 1 24 28410 1 1 20 HIS HA H -2.316 1.804 -7.873 1.00 . A A . 20 HIS HA 1 1 24 28411 1 1 20 HIS HB2 H 0.446 2.161 -6.644 1.00 . A A . 20 HIS HB2 1 1 24 28412 1 1 20 HIS HB3 H -1.018 2.830 -5.929 1.00 . A A . 20 HIS HB3 1 1 24 28413 1 1 20 HIS HD1 H 0.151 -0.748 -6.975 1.00 . A A . 20 HIS HD1 1 1 24 28414 1 1 20 HIS HD2 H -2.292 1.359 -4.315 1.00 . A A . 20 HIS HD2 1 1 24 28415 1 1 20 HIS HE1 H -0.987 -2.499 -5.487 1.00 . A A . 20 HIS HE1 1 1 24 28416 1 1 20 HIS N N -0.559 1.377 -8.901 1.00 . A A . 20 HIS N 1 1 24 28417 1 1 20 HIS ND1 N -0.508 -0.538 -6.241 1.00 . A A . 20 HIS ND1 1 1 24 28418 1 1 20 HIS NE2 N -1.894 -0.816 -4.525 1.00 . A A . 20 HIS NE2 1 1 24 28419 1 1 20 HIS O O -2.230 4.388 -7.896 1.00 . A A . 20 HIS O 1 1 24 28420 1 1 21 ALA C C -1.336 5.555 -11.096 1.00 . A A . 21 ALA C 1 1 24 28421 1 1 21 ALA CA C -0.488 5.441 -9.827 1.00 . A A . 21 ALA CA 1 1 24 28422 1 1 21 ALA CB C 0.954 5.880 -10.086 1.00 . A A . 21 ALA CB 1 1 24 28423 1 1 21 ALA H H 0.098 3.399 -9.742 1.00 . A A . 21 ALA H 1 1 24 28424 1 1 21 ALA HA H -0.902 6.130 -9.089 1.00 . A A . 21 ALA HA 1 1 24 28425 1 1 21 ALA HB1 H 1.565 5.703 -9.199 1.00 . A A . 21 ALA HB1 1 1 24 28426 1 1 21 ALA HB2 H 1.385 5.333 -10.921 1.00 . A A . 21 ALA HB2 1 1 24 28427 1 1 21 ALA HB3 H 0.954 6.941 -10.334 1.00 . A A . 21 ALA HB3 1 1 24 28428 1 1 21 ALA N N -0.509 4.082 -9.301 1.00 . A A . 21 ALA N 1 1 24 28429 1 1 21 ALA O O -2.150 6.449 -11.211 1.00 . A A . 21 ALA O 1 1 24 28430 1 1 22 GLU C C -3.317 4.459 -13.213 1.00 . A A . 22 GLU C 1 1 24 28431 1 1 22 GLU CA C -1.817 4.716 -13.363 1.00 . A A . 22 GLU CA 1 1 24 28432 1 1 22 GLU CB C -1.122 3.754 -14.348 1.00 . A A . 22 GLU CB 1 1 24 28433 1 1 22 GLU CD C -0.351 1.354 -14.736 1.00 . A A . 22 GLU CD 1 1 24 28434 1 1 22 GLU CG C -1.302 2.278 -13.981 1.00 . A A . 22 GLU CG 1 1 24 28435 1 1 22 GLU H H -0.560 3.904 -11.840 1.00 . A A . 22 GLU H 1 1 24 28436 1 1 22 GLU HA H -1.689 5.726 -13.758 1.00 . A A . 22 GLU HA 1 1 24 28437 1 1 22 GLU HB2 H -1.516 3.911 -15.352 1.00 . A A . 22 GLU HB2 1 1 24 28438 1 1 22 GLU HB3 H -0.054 3.979 -14.360 1.00 . A A . 22 GLU HB3 1 1 24 28439 1 1 22 GLU HG2 H -1.104 2.165 -12.925 1.00 . A A . 22 GLU HG2 1 1 24 28440 1 1 22 GLU HG3 H -2.325 1.965 -14.189 1.00 . A A . 22 GLU HG3 1 1 24 28441 1 1 22 GLU N N -1.169 4.662 -12.059 1.00 . A A . 22 GLU N 1 1 24 28442 1 1 22 GLU O O -4.131 5.134 -13.838 1.00 . A A . 22 GLU O 1 1 24 28443 1 1 22 GLU OE1 O 0.825 1.274 -14.319 1.00 . A A . 22 GLU OE1 1 1 24 28444 1 1 22 GLU OE2 O -0.830 0.717 -15.697 1.00 . A A . 22 GLU OE2 1 1 24 28445 1 1 23 LYS C C -5.796 4.403 -11.503 1.00 . A A . 23 LYS C 1 1 24 28446 1 1 23 LYS CA C -5.064 3.174 -12.052 1.00 . A A . 23 LYS CA 1 1 24 28447 1 1 23 LYS CB C -5.078 2.023 -11.037 1.00 . A A . 23 LYS CB 1 1 24 28448 1 1 23 LYS CD C -5.485 -0.032 -12.476 1.00 . A A . 23 LYS CD 1 1 24 28449 1 1 23 LYS CE C -5.867 -1.321 -11.734 1.00 . A A . 23 LYS CE 1 1 24 28450 1 1 23 LYS CG C -4.474 0.739 -11.624 1.00 . A A . 23 LYS CG 1 1 24 28451 1 1 23 LYS H H -2.966 2.922 -11.925 1.00 . A A . 23 LYS H 1 1 24 28452 1 1 23 LYS HA H -5.567 2.859 -12.967 1.00 . A A . 23 LYS HA 1 1 24 28453 1 1 23 LYS HB2 H -4.478 2.318 -10.176 1.00 . A A . 23 LYS HB2 1 1 24 28454 1 1 23 LYS HB3 H -6.095 1.835 -10.691 1.00 . A A . 23 LYS HB3 1 1 24 28455 1 1 23 LYS HD2 H -6.353 0.600 -12.660 1.00 . A A . 23 LYS HD2 1 1 24 28456 1 1 23 LYS HD3 H -5.009 -0.255 -13.433 1.00 . A A . 23 LYS HD3 1 1 24 28457 1 1 23 LYS HE2 H -4.992 -1.970 -11.650 1.00 . A A . 23 LYS HE2 1 1 24 28458 1 1 23 LYS HE3 H -6.203 -1.069 -10.726 1.00 . A A . 23 LYS HE3 1 1 24 28459 1 1 23 LYS HG2 H -3.610 0.964 -12.250 1.00 . A A . 23 LYS HG2 1 1 24 28460 1 1 23 LYS HG3 H -4.115 0.122 -10.798 1.00 . A A . 23 LYS HG3 1 1 24 28461 1 1 23 LYS HZ1 H -6.671 -2.463 -13.270 1.00 . A A . 23 LYS HZ1 1 1 24 28462 1 1 23 LYS HZ2 H -7.176 -2.849 -11.741 1.00 . A A . 23 LYS HZ2 1 1 24 28463 1 1 23 LYS HZ3 H -7.786 -1.523 -12.469 1.00 . A A . 23 LYS HZ3 1 1 24 28464 1 1 23 LYS N N -3.682 3.492 -12.364 1.00 . A A . 23 LYS N 1 1 24 28465 1 1 23 LYS NZ N -6.952 -2.081 -12.381 1.00 . A A . 23 LYS NZ 1 1 24 28466 1 1 23 LYS O O -6.891 4.723 -11.955 1.00 . A A . 23 LYS O 1 1 24 28467 1 1 24 LEU C C -5.541 7.494 -10.490 1.00 . A A . 24 LEU C 1 1 24 28468 1 1 24 LEU CA C -5.836 6.166 -9.796 1.00 . A A . 24 LEU CA 1 1 24 28469 1 1 24 LEU CB C -5.287 6.231 -8.369 1.00 . A A . 24 LEU CB 1 1 24 28470 1 1 24 LEU CD1 C -7.233 5.357 -6.988 1.00 . A A . 24 LEU CD1 1 1 24 28471 1 1 24 LEU CD2 C -5.540 3.709 -7.839 1.00 . A A . 24 LEU CD2 1 1 24 28472 1 1 24 LEU CG C -5.767 5.153 -7.388 1.00 . A A . 24 LEU CG 1 1 24 28473 1 1 24 LEU H H -4.326 4.725 -10.136 1.00 . A A . 24 LEU H 1 1 24 28474 1 1 24 LEU HA H -6.918 6.035 -9.760 1.00 . A A . 24 LEU HA 1 1 24 28475 1 1 24 LEU HB2 H -4.196 6.201 -8.398 1.00 . A A . 24 LEU HB2 1 1 24 28476 1 1 24 LEU HB3 H -5.579 7.200 -7.967 1.00 . A A . 24 LEU HB3 1 1 24 28477 1 1 24 LEU HD11 H -7.507 4.631 -6.224 1.00 . A A . 24 LEU HD11 1 1 24 28478 1 1 24 LEU HD12 H -7.369 6.361 -6.586 1.00 . A A . 24 LEU HD12 1 1 24 28479 1 1 24 LEU HD13 H -7.886 5.222 -7.850 1.00 . A A . 24 LEU HD13 1 1 24 28480 1 1 24 LEU HD21 H -4.505 3.582 -8.148 1.00 . A A . 24 LEU HD21 1 1 24 28481 1 1 24 LEU HD22 H -5.732 3.035 -7.005 1.00 . A A . 24 LEU HD22 1 1 24 28482 1 1 24 LEU HD23 H -6.213 3.454 -8.658 1.00 . A A . 24 LEU HD23 1 1 24 28483 1 1 24 LEU HG H -5.144 5.297 -6.511 1.00 . A A . 24 LEU HG 1 1 24 28484 1 1 24 LEU N N -5.210 5.057 -10.494 1.00 . A A . 24 LEU N 1 1 24 28485 1 1 24 LEU O O -6.453 8.213 -10.891 1.00 . A A . 24 LEU O 1 1 24 28486 1 1 25 GLY C C -2.398 9.356 -10.296 1.00 . A A . 25 GLY C 1 1 24 28487 1 1 25 GLY CA C -3.757 9.141 -10.955 1.00 . A A . 25 GLY CA 1 1 24 28488 1 1 25 GLY H H -3.538 7.137 -10.378 1.00 . A A . 25 GLY H 1 1 24 28489 1 1 25 GLY HA2 H -3.632 9.160 -12.034 1.00 . A A . 25 GLY HA2 1 1 24 28490 1 1 25 GLY HA3 H -4.446 9.932 -10.654 1.00 . A A . 25 GLY HA3 1 1 24 28491 1 1 25 GLY N N -4.255 7.839 -10.562 1.00 . A A . 25 GLY N 1 1 24 28492 1 1 25 GLY O O -1.366 9.132 -10.927 1.00 . A A . 25 GLY O 1 1 24 28493 1 1 26 CYS C C -1.682 10.681 -6.879 1.00 . A A . 26 CYS C 1 1 24 28494 1 1 26 CYS CA C -1.220 10.095 -8.216 1.00 . A A . 26 CYS CA 1 1 24 28495 1 1 26 CYS CB C -0.306 11.094 -8.916 1.00 . A A . 26 CYS CB 1 1 24 28496 1 1 26 CYS H H -3.335 9.885 -8.599 1.00 . A A . 26 CYS H 1 1 24 28497 1 1 26 CYS HA H -0.696 9.163 -8.022 1.00 . A A . 26 CYS HA 1 1 24 28498 1 1 26 CYS HB2 H -0.211 10.927 -9.983 1.00 . A A . 26 CYS HB2 1 1 24 28499 1 1 26 CYS HB3 H -0.697 12.104 -8.791 1.00 . A A . 26 CYS HB3 1 1 24 28500 1 1 26 CYS N N -2.407 9.779 -9.028 1.00 . A A . 26 CYS N 1 1 24 28501 1 1 26 CYS O O -1.302 10.220 -5.796 1.00 . A A . 26 CYS O 1 1 24 28502 1 1 26 CYS SG S 1.372 11.052 -8.235 1.00 . A A . 26 CYS SG 1 1 24 28503 1 1 27 ASP C C -3.810 11.371 -4.926 1.00 . A A . 27 ASP C 1 1 24 28504 1 1 27 ASP CA C -3.463 12.301 -6.076 1.00 . A A . 27 ASP CA 1 1 24 28505 1 1 27 ASP CB C -4.738 12.712 -6.843 1.00 . A A . 27 ASP CB 1 1 24 28506 1 1 27 ASP CG C -5.465 11.559 -7.549 1.00 . A A . 27 ASP CG 1 1 24 28507 1 1 27 ASP H H -2.968 11.677 -7.958 1.00 . A A . 27 ASP H 1 1 24 28508 1 1 27 ASP HA H -2.986 13.198 -5.680 1.00 . A A . 27 ASP HA 1 1 24 28509 1 1 27 ASP HB2 H -5.427 13.173 -6.133 1.00 . A A . 27 ASP HB2 1 1 24 28510 1 1 27 ASP HB3 H -4.479 13.459 -7.593 1.00 . A A . 27 ASP HB3 1 1 24 28511 1 1 27 ASP N N -2.579 11.659 -7.030 1.00 . A A . 27 ASP N 1 1 24 28512 1 1 27 ASP O O -3.723 11.742 -3.758 1.00 . A A . 27 ASP O 1 1 24 28513 1 1 27 ASP OD1 O -4.777 10.576 -7.929 1.00 . A A . 27 ASP OD1 1 1 24 28514 1 1 27 ASP OD2 O -6.698 11.676 -7.690 1.00 . A A . 27 ASP OD2 1 1 24 28515 1 1 28 ALA C C -3.611 8.973 -3.182 1.00 . A A . 28 ALA C 1 1 24 28516 1 1 28 ALA CA C -4.520 9.055 -4.411 1.00 . A A . 28 ALA CA 1 1 24 28517 1 1 28 ALA CB C -4.443 7.769 -5.223 1.00 . A A . 28 ALA CB 1 1 24 28518 1 1 28 ALA H H -4.283 10.007 -6.303 1.00 . A A . 28 ALA H 1 1 24 28519 1 1 28 ALA HA H -5.545 9.211 -4.086 1.00 . A A . 28 ALA HA 1 1 24 28520 1 1 28 ALA HB1 H -5.264 7.787 -5.935 1.00 . A A . 28 ALA HB1 1 1 24 28521 1 1 28 ALA HB2 H -3.496 7.727 -5.763 1.00 . A A . 28 ALA HB2 1 1 24 28522 1 1 28 ALA HB3 H -4.544 6.903 -4.571 1.00 . A A . 28 ALA HB3 1 1 24 28523 1 1 28 ALA N N -4.193 10.150 -5.295 1.00 . A A . 28 ALA N 1 1 24 28524 1 1 28 ALA O O -4.104 8.745 -2.079 1.00 . A A . 28 ALA O 1 1 24 28525 1 1 29 CYS C C -0.466 10.294 -2.186 1.00 . A A . 29 CYS C 1 1 24 28526 1 1 29 CYS CA C -1.310 9.023 -2.312 1.00 . A A . 29 CYS CA 1 1 24 28527 1 1 29 CYS CB C -0.430 7.824 -2.533 1.00 . A A . 29 CYS CB 1 1 24 28528 1 1 29 CYS H H -1.984 9.341 -4.323 1.00 . A A . 29 CYS H 1 1 24 28529 1 1 29 CYS HA H -1.806 8.883 -1.350 1.00 . A A . 29 CYS HA 1 1 24 28530 1 1 29 CYS HB2 H 0.139 8.008 -3.443 1.00 . A A . 29 CYS HB2 1 1 24 28531 1 1 29 CYS HB3 H 0.264 7.730 -1.696 1.00 . A A . 29 CYS HB3 1 1 24 28532 1 1 29 CYS N N -2.298 9.124 -3.381 1.00 . A A . 29 CYS N 1 1 24 28533 1 1 29 CYS O O -0.039 10.617 -1.079 1.00 . A A . 29 CYS O 1 1 24 28534 1 1 29 CYS SG S -1.394 6.277 -2.682 1.00 . A A . 29 CYS SG 1 1 24 28535 1 1 30 HIS C C -0.046 13.303 -4.101 1.00 . A A . 30 HIS C 1 1 24 28536 1 1 30 HIS CA C 0.615 12.223 -3.255 1.00 . A A . 30 HIS CA 1 1 24 28537 1 1 30 HIS CB C 2.012 11.979 -3.832 1.00 . A A . 30 HIS CB 1 1 24 28538 1 1 30 HIS CD2 C 2.851 9.619 -3.969 1.00 . A A . 30 HIS CD2 1 1 24 28539 1 1 30 HIS CE1 C 4.543 9.709 -2.596 1.00 . A A . 30 HIS CE1 1 1 24 28540 1 1 30 HIS CG C 2.757 10.793 -3.289 1.00 . A A . 30 HIS CG 1 1 24 28541 1 1 30 HIS H H -0.602 10.760 -4.184 1.00 . A A . 30 HIS H 1 1 24 28542 1 1 30 HIS HA H 0.722 12.587 -2.232 1.00 . A A . 30 HIS HA 1 1 24 28543 1 1 30 HIS HB2 H 1.904 11.833 -4.910 1.00 . A A . 30 HIS HB2 1 1 24 28544 1 1 30 HIS HB3 H 2.610 12.878 -3.691 1.00 . A A . 30 HIS HB3 1 1 24 28545 1 1 30 HIS HD1 H 4.070 11.614 -1.825 1.00 . A A . 30 HIS HD1 1 1 24 28546 1 1 30 HIS HD2 H 2.269 9.322 -4.820 1.00 . A A . 30 HIS HD2 1 1 24 28547 1 1 30 HIS HE1 H 5.493 9.463 -2.151 1.00 . A A . 30 HIS HE1 1 1 24 28548 1 1 30 HIS N N -0.192 11.010 -3.286 1.00 . A A . 30 HIS N 1 1 24 28549 1 1 30 HIS ND1 N 3.822 10.837 -2.416 1.00 . A A . 30 HIS ND1 1 1 24 28550 1 1 30 HIS NE2 N 3.993 8.955 -3.552 1.00 . A A . 30 HIS NE2 1 1 24 28551 1 1 30 HIS O O -0.462 13.036 -5.223 1.00 . A A . 30 HIS O 1 1 24 28552 1 1 31 GLU C C 0.500 16.825 -4.165 1.00 . A A . 31 GLU C 1 1 24 28553 1 1 31 GLU CA C -0.544 15.714 -4.280 1.00 . A A . 31 GLU CA 1 1 24 28554 1 1 31 GLU CB C -1.939 16.109 -3.793 1.00 . A A . 31 GLU CB 1 1 24 28555 1 1 31 GLU CD C -2.591 17.087 -1.565 1.00 . A A . 31 GLU CD 1 1 24 28556 1 1 31 GLU CG C -2.198 15.826 -2.309 1.00 . A A . 31 GLU CG 1 1 24 28557 1 1 31 GLU H H 0.327 14.671 -2.667 1.00 . A A . 31 GLU H 1 1 24 28558 1 1 31 GLU HA H -0.689 15.490 -5.330 1.00 . A A . 31 GLU HA 1 1 24 28559 1 1 31 GLU HB2 H -2.127 17.160 -4.024 1.00 . A A . 31 GLU HB2 1 1 24 28560 1 1 31 GLU HB3 H -2.664 15.522 -4.360 1.00 . A A . 31 GLU HB3 1 1 24 28561 1 1 31 GLU HG2 H -2.986 15.079 -2.292 1.00 . A A . 31 GLU HG2 1 1 24 28562 1 1 31 GLU HG3 H -1.344 15.423 -1.769 1.00 . A A . 31 GLU HG3 1 1 24 28563 1 1 31 GLU N N -0.054 14.533 -3.590 1.00 . A A . 31 GLU N 1 1 24 28564 1 1 31 GLU O O 1.330 16.965 -5.059 1.00 . A A . 31 GLU O 1 1 24 28565 1 1 31 GLU OE1 O -1.678 17.932 -1.447 1.00 . A A . 31 GLU OE1 1 1 24 28566 1 1 31 GLU OE2 O -3.765 17.186 -1.153 1.00 . A A . 31 GLU OE2 1 1 24 28567 1 1 32 GLY C C 2.801 18.489 -3.282 1.00 . A A . 32 GLY C 1 1 24 28568 1 1 32 GLY CA C 1.377 18.690 -2.764 1.00 . A A . 32 GLY CA 1 1 24 28569 1 1 32 GLY H H -0.316 17.477 -2.422 1.00 . A A . 32 GLY H 1 1 24 28570 1 1 32 GLY HA2 H 0.961 19.591 -3.212 1.00 . A A . 32 GLY HA2 1 1 24 28571 1 1 32 GLY HA3 H 1.412 18.828 -1.684 1.00 . A A . 32 GLY HA3 1 1 24 28572 1 1 32 GLY N N 0.481 17.578 -3.057 1.00 . A A . 32 GLY N 1 1 24 28573 1 1 32 GLY O O 3.271 19.269 -4.108 1.00 . A A . 32 GLY O 1 1 24 28574 1 1 33 THR C C 5.166 15.673 -2.732 1.00 . A A . 33 THR C 1 1 24 28575 1 1 33 THR CA C 4.805 17.059 -3.292 1.00 . A A . 33 THR CA 1 1 24 28576 1 1 33 THR CB C 5.872 18.119 -2.951 1.00 . A A . 33 THR CB 1 1 24 28577 1 1 33 THR CG2 C 5.997 18.400 -1.449 1.00 . A A . 33 THR CG2 1 1 24 28578 1 1 33 THR H H 3.066 16.868 -2.092 1.00 . A A . 33 THR H 1 1 24 28579 1 1 33 THR HA H 4.723 17.019 -4.377 1.00 . A A . 33 THR HA 1 1 24 28580 1 1 33 THR HB H 5.623 19.056 -3.451 1.00 . A A . 33 THR HB 1 1 24 28581 1 1 33 THR HG1 H 7.770 18.398 -3.298 1.00 . A A . 33 THR HG1 1 1 24 28582 1 1 33 THR HG21 H 5.036 18.713 -1.041 1.00 . A A . 33 THR HG21 1 1 24 28583 1 1 33 THR HG22 H 6.339 17.511 -0.921 1.00 . A A . 33 THR HG22 1 1 24 28584 1 1 33 THR HG23 H 6.718 19.201 -1.288 1.00 . A A . 33 THR HG23 1 1 24 28585 1 1 33 THR N N 3.493 17.456 -2.792 1.00 . A A . 33 THR N 1 1 24 28586 1 1 33 THR O O 4.908 15.420 -1.554 1.00 . A A . 33 THR O 1 1 24 28587 1 1 33 THR OG1 O 7.126 17.703 -3.450 1.00 . A A . 33 THR OG1 1 1 24 28588 1 1 34 PRO C C 7.671 13.573 -2.620 1.00 . A A . 34 PRO C 1 1 24 28589 1 1 34 PRO CA C 6.208 13.466 -3.078 1.00 . A A . 34 PRO CA 1 1 24 28590 1 1 34 PRO CB C 6.087 12.552 -4.294 1.00 . A A . 34 PRO CB 1 1 24 28591 1 1 34 PRO CD C 5.799 14.837 -4.993 1.00 . A A . 34 PRO CD 1 1 24 28592 1 1 34 PRO CG C 6.349 13.491 -5.469 1.00 . A A . 34 PRO CG 1 1 24 28593 1 1 34 PRO HA H 5.593 13.062 -2.277 1.00 . A A . 34 PRO HA 1 1 24 28594 1 1 34 PRO HB2 H 6.792 11.726 -4.247 1.00 . A A . 34 PRO HB2 1 1 24 28595 1 1 34 PRO HB3 H 5.070 12.171 -4.377 1.00 . A A . 34 PRO HB3 1 1 24 28596 1 1 34 PRO HD2 H 6.456 15.649 -5.309 1.00 . A A . 34 PRO HD2 1 1 24 28597 1 1 34 PRO HD3 H 4.799 14.977 -5.407 1.00 . A A . 34 PRO HD3 1 1 24 28598 1 1 34 PRO HG2 H 7.422 13.575 -5.638 1.00 . A A . 34 PRO HG2 1 1 24 28599 1 1 34 PRO HG3 H 5.847 13.142 -6.370 1.00 . A A . 34 PRO HG3 1 1 24 28600 1 1 34 PRO N N 5.719 14.753 -3.542 1.00 . A A . 34 PRO N 1 1 24 28601 1 1 34 PRO O O 8.505 14.116 -3.339 1.00 . A A . 34 PRO O 1 1 24 28602 1 1 35 ALA C C 9.475 11.765 0.011 1.00 . A A . 35 ALA C 1 1 24 28603 1 1 35 ALA CA C 9.371 12.956 -0.942 1.00 . A A . 35 ALA CA 1 1 24 28604 1 1 35 ALA CB C 9.740 14.281 -0.265 1.00 . A A . 35 ALA CB 1 1 24 28605 1 1 35 ALA H H 7.286 12.593 -0.873 1.00 . A A . 35 ALA H 1 1 24 28606 1 1 35 ALA HA H 10.065 12.788 -1.768 1.00 . A A . 35 ALA HA 1 1 24 28607 1 1 35 ALA HB1 H 9.678 15.097 -0.988 1.00 . A A . 35 ALA HB1 1 1 24 28608 1 1 35 ALA HB2 H 9.058 14.484 0.562 1.00 . A A . 35 ALA HB2 1 1 24 28609 1 1 35 ALA HB3 H 10.761 14.227 0.115 1.00 . A A . 35 ALA HB3 1 1 24 28610 1 1 35 ALA N N 8.001 13.020 -1.446 1.00 . A A . 35 ALA N 1 1 24 28611 1 1 35 ALA O O 9.725 11.928 1.203 1.00 . A A . 35 ALA O 1 1 24 28612 1 1 36 LYS C C 7.508 9.631 0.991 1.00 . A A . 36 LYS C 1 1 24 28613 1 1 36 LYS CA C 8.802 9.389 0.214 1.00 . A A . 36 LYS CA 1 1 24 28614 1 1 36 LYS CB C 9.921 8.795 1.102 1.00 . A A . 36 LYS CB 1 1 24 28615 1 1 36 LYS CD C 11.295 6.633 1.103 1.00 . A A . 36 LYS CD 1 1 24 28616 1 1 36 LYS CE C 11.971 6.943 2.441 1.00 . A A . 36 LYS CE 1 1 24 28617 1 1 36 LYS CG C 10.901 7.897 0.332 1.00 . A A . 36 LYS CG 1 1 24 28618 1 1 36 LYS H H 9.045 10.559 -1.528 1.00 . A A . 36 LYS H 1 1 24 28619 1 1 36 LYS HA H 8.514 8.647 -0.519 1.00 . A A . 36 LYS HA 1 1 24 28620 1 1 36 LYS HB2 H 10.474 9.578 1.620 1.00 . A A . 36 LYS HB2 1 1 24 28621 1 1 36 LYS HB3 H 9.462 8.173 1.868 1.00 . A A . 36 LYS HB3 1 1 24 28622 1 1 36 LYS HD2 H 10.401 6.024 1.259 1.00 . A A . 36 LYS HD2 1 1 24 28623 1 1 36 LYS HD3 H 11.965 6.070 0.448 1.00 . A A . 36 LYS HD3 1 1 24 28624 1 1 36 LYS HE2 H 12.775 7.655 2.262 1.00 . A A . 36 LYS HE2 1 1 24 28625 1 1 36 LYS HE3 H 11.253 7.400 3.124 1.00 . A A . 36 LYS HE3 1 1 24 28626 1 1 36 LYS HG2 H 10.447 7.505 -0.574 1.00 . A A . 36 LYS HG2 1 1 24 28627 1 1 36 LYS HG3 H 11.784 8.471 0.043 1.00 . A A . 36 LYS HG3 1 1 24 28628 1 1 36 LYS HZ1 H 12.966 5.939 3.933 1.00 . A A . 36 LYS HZ1 1 1 24 28629 1 1 36 LYS HZ2 H 11.761 5.060 3.234 1.00 . A A . 36 LYS HZ2 1 1 24 28630 1 1 36 LYS HZ3 H 13.182 5.286 2.436 1.00 . A A . 36 LYS HZ3 1 1 24 28631 1 1 36 LYS N N 9.212 10.573 -0.533 1.00 . A A . 36 LYS N 1 1 24 28632 1 1 36 LYS NZ N 12.511 5.715 3.059 1.00 . A A . 36 LYS NZ 1 1 24 28633 1 1 36 LYS O O 6.974 10.739 1.034 1.00 . A A . 36 LYS O 1 1 24 28634 1 1 37 ILE C C 6.864 7.882 3.811 1.00 . A A . 37 ILE C 1 1 24 28635 1 1 37 ILE CA C 6.080 8.570 2.689 1.00 . A A . 37 ILE CA 1 1 24 28636 1 1 37 ILE CB C 4.741 7.884 2.322 1.00 . A A . 37 ILE CB 1 1 24 28637 1 1 37 ILE CD1 C 3.609 9.786 0.994 1.00 . A A . 37 ILE CD1 1 1 24 28638 1 1 37 ILE CG1 C 4.153 8.356 0.996 1.00 . A A . 37 ILE CG1 1 1 24 28639 1 1 37 ILE CG2 C 3.675 8.043 3.425 1.00 . A A . 37 ILE CG2 1 1 24 28640 1 1 37 ILE H H 7.503 7.675 1.431 1.00 . A A . 37 ILE H 1 1 24 28641 1 1 37 ILE HA H 5.882 9.597 2.998 1.00 . A A . 37 ILE HA 1 1 24 28642 1 1 37 ILE HB H 4.911 6.828 2.116 1.00 . A A . 37 ILE HB 1 1 24 28643 1 1 37 ILE HD11 H 3.205 10.004 0.008 1.00 . A A . 37 ILE HD11 1 1 24 28644 1 1 37 ILE HD12 H 2.800 9.895 1.714 1.00 . A A . 37 ILE HD12 1 1 24 28645 1 1 37 ILE HD13 H 4.400 10.498 1.223 1.00 . A A . 37 ILE HD13 1 1 24 28646 1 1 37 ILE HG12 H 4.903 8.238 0.221 1.00 . A A . 37 ILE HG12 1 1 24 28647 1 1 37 ILE HG13 H 3.345 7.663 0.778 1.00 . A A . 37 ILE HG13 1 1 24 28648 1 1 37 ILE HG21 H 3.925 7.504 4.336 1.00 . A A . 37 ILE HG21 1 1 24 28649 1 1 37 ILE HG22 H 3.563 9.096 3.687 1.00 . A A . 37 ILE HG22 1 1 24 28650 1 1 37 ILE HG23 H 2.718 7.663 3.068 1.00 . A A . 37 ILE HG23 1 1 24 28651 1 1 37 ILE N N 7.001 8.542 1.569 1.00 . A A . 37 ILE N 1 1 24 28652 1 1 37 ILE O O 7.952 8.332 4.158 1.00 . A A . 37 ILE O 1 1 24 28653 1 1 38 ALA C C 5.627 5.120 5.892 1.00 . A A . 38 ALA C 1 1 24 28654 1 1 38 ALA CA C 6.813 5.972 5.439 1.00 . A A . 38 ALA CA 1 1 24 28655 1 1 38 ALA CB C 7.270 6.881 6.585 1.00 . A A . 38 ALA CB 1 1 24 28656 1 1 38 ALA H H 5.476 6.469 3.901 1.00 . A A . 38 ALA H 1 1 24 28657 1 1 38 ALA HA H 7.635 5.319 5.140 1.00 . A A . 38 ALA HA 1 1 24 28658 1 1 38 ALA HB1 H 8.211 7.370 6.347 1.00 . A A . 38 ALA HB1 1 1 24 28659 1 1 38 ALA HB2 H 6.496 7.630 6.754 1.00 . A A . 38 ALA HB2 1 1 24 28660 1 1 38 ALA HB3 H 7.417 6.296 7.492 1.00 . A A . 38 ALA HB3 1 1 24 28661 1 1 38 ALA N N 6.348 6.756 4.304 1.00 . A A . 38 ALA N 1 1 24 28662 1 1 38 ALA O O 5.132 5.289 7.004 1.00 . A A . 38 ALA O 1 1 24 28663 1 1 39 ILE C C 4.558 2.318 6.349 1.00 . A A . 39 ILE C 1 1 24 28664 1 1 39 ILE CA C 4.014 3.392 5.412 1.00 . A A . 39 ILE CA 1 1 24 28665 1 1 39 ILE CB C 3.259 2.846 4.197 1.00 . A A . 39 ILE CB 1 1 24 28666 1 1 39 ILE CD1 C 1.565 4.813 4.172 1.00 . A A . 39 ILE CD1 1 1 24 28667 1 1 39 ILE CG1 C 2.599 3.985 3.400 1.00 . A A . 39 ILE CG1 1 1 24 28668 1 1 39 ILE CG2 C 2.235 1.791 4.635 1.00 . A A . 39 ILE CG2 1 1 24 28669 1 1 39 ILE H H 5.569 4.069 4.130 1.00 . A A . 39 ILE H 1 1 24 28670 1 1 39 ILE HA H 3.296 3.986 5.976 1.00 . A A . 39 ILE HA 1 1 24 28671 1 1 39 ILE HB H 3.966 2.356 3.534 1.00 . A A . 39 ILE HB 1 1 24 28672 1 1 39 ILE HD11 H 1.034 5.456 3.469 1.00 . A A . 39 ILE HD11 1 1 24 28673 1 1 39 ILE HD12 H 0.847 4.160 4.663 1.00 . A A . 39 ILE HD12 1 1 24 28674 1 1 39 ILE HD13 H 2.051 5.447 4.912 1.00 . A A . 39 ILE HD13 1 1 24 28675 1 1 39 ILE HG12 H 3.369 4.663 3.033 1.00 . A A . 39 ILE HG12 1 1 24 28676 1 1 39 ILE HG13 H 2.099 3.546 2.541 1.00 . A A . 39 ILE HG13 1 1 24 28677 1 1 39 ILE HG21 H 2.759 0.876 4.915 1.00 . A A . 39 ILE HG21 1 1 24 28678 1 1 39 ILE HG22 H 1.655 2.144 5.485 1.00 . A A . 39 ILE HG22 1 1 24 28679 1 1 39 ILE HG23 H 1.557 1.556 3.820 1.00 . A A . 39 ILE HG23 1 1 24 28680 1 1 39 ILE N N 5.119 4.248 5.017 1.00 . A A . 39 ILE N 1 1 24 28681 1 1 39 ILE O O 5.309 1.440 5.938 1.00 . A A . 39 ILE O 1 1 24 28682 1 1 40 ASP C C 3.312 0.746 9.052 1.00 . A A . 40 ASP C 1 1 24 28683 1 1 40 ASP CA C 4.526 1.615 8.745 1.00 . A A . 40 ASP CA 1 1 24 28684 1 1 40 ASP CB C 4.868 2.532 9.934 1.00 . A A . 40 ASP CB 1 1 24 28685 1 1 40 ASP CG C 4.736 1.847 11.285 1.00 . A A . 40 ASP CG 1 1 24 28686 1 1 40 ASP H H 3.451 3.133 7.789 1.00 . A A . 40 ASP H 1 1 24 28687 1 1 40 ASP HA H 5.379 0.972 8.513 1.00 . A A . 40 ASP HA 1 1 24 28688 1 1 40 ASP HB2 H 5.877 2.927 9.818 1.00 . A A . 40 ASP HB2 1 1 24 28689 1 1 40 ASP HB3 H 4.157 3.350 9.946 1.00 . A A . 40 ASP HB3 1 1 24 28690 1 1 40 ASP N N 4.169 2.451 7.615 1.00 . A A . 40 ASP N 1 1 24 28691 1 1 40 ASP O O 2.225 0.982 8.517 1.00 . A A . 40 ASP O 1 1 24 28692 1 1 40 ASP OD1 O 5.462 0.857 11.501 1.00 . A A . 40 ASP OD1 1 1 24 28693 1 1 40 ASP OD2 O 3.778 2.198 12.005 1.00 . A A . 40 ASP OD2 1 1 24 28694 1 1 41 LYS C C 1.232 -0.219 10.837 1.00 . A A . 41 LYS C 1 1 24 28695 1 1 41 LYS CA C 2.456 -1.063 10.499 1.00 . A A . 41 LYS CA 1 1 24 28696 1 1 41 LYS CB C 2.995 -1.789 11.737 1.00 . A A . 41 LYS CB 1 1 24 28697 1 1 41 LYS CD C 1.891 -2.435 13.905 1.00 . A A . 41 LYS CD 1 1 24 28698 1 1 41 LYS CE C 0.856 -3.354 14.566 1.00 . A A . 41 LYS CE 1 1 24 28699 1 1 41 LYS CG C 1.951 -2.704 12.398 1.00 . A A . 41 LYS CG 1 1 24 28700 1 1 41 LYS H H 4.407 -0.194 10.418 1.00 . A A . 41 LYS H 1 1 24 28701 1 1 41 LYS HA H 2.171 -1.804 9.752 1.00 . A A . 41 LYS HA 1 1 24 28702 1 1 41 LYS HB2 H 3.850 -2.396 11.437 1.00 . A A . 41 LYS HB2 1 1 24 28703 1 1 41 LYS HB3 H 3.352 -1.044 12.449 1.00 . A A . 41 LYS HB3 1 1 24 28704 1 1 41 LYS HD2 H 2.886 -2.612 14.323 1.00 . A A . 41 LYS HD2 1 1 24 28705 1 1 41 LYS HD3 H 1.621 -1.387 14.060 1.00 . A A . 41 LYS HD3 1 1 24 28706 1 1 41 LYS HE2 H -0.130 -3.143 14.145 1.00 . A A . 41 LYS HE2 1 1 24 28707 1 1 41 LYS HE3 H 1.109 -4.394 14.348 1.00 . A A . 41 LYS HE3 1 1 24 28708 1 1 41 LYS HG2 H 0.962 -2.565 11.958 1.00 . A A . 41 LYS HG2 1 1 24 28709 1 1 41 LYS HG3 H 2.237 -3.739 12.229 1.00 . A A . 41 LYS HG3 1 1 24 28710 1 1 41 LYS HZ1 H 0.568 -2.214 16.254 1.00 . A A . 41 LYS HZ1 1 1 24 28711 1 1 41 LYS HZ2 H 0.114 -3.785 16.431 1.00 . A A . 41 LYS HZ2 1 1 24 28712 1 1 41 LYS HZ3 H 1.710 -3.387 16.436 1.00 . A A . 41 LYS HZ3 1 1 24 28713 1 1 41 LYS N N 3.499 -0.222 9.948 1.00 . A A . 41 LYS N 1 1 24 28714 1 1 41 LYS NZ N 0.810 -3.169 16.030 1.00 . A A . 41 LYS NZ 1 1 24 28715 1 1 41 LYS O O 0.124 -0.595 10.460 1.00 . A A . 41 LYS O 1 1 24 28716 1 1 42 LYS C C -0.486 2.182 10.695 1.00 . A A . 42 LYS C 1 1 24 28717 1 1 42 LYS CA C 0.295 1.738 11.931 1.00 . A A . 42 LYS CA 1 1 24 28718 1 1 42 LYS CB C 0.741 2.912 12.811 1.00 . A A . 42 LYS CB 1 1 24 28719 1 1 42 LYS CD C 1.483 3.480 15.192 1.00 . A A . 42 LYS CD 1 1 24 28720 1 1 42 LYS CE C 0.114 3.809 15.810 1.00 . A A . 42 LYS CE 1 1 24 28721 1 1 42 LYS CG C 1.363 2.394 14.117 1.00 . A A . 42 LYS CG 1 1 24 28722 1 1 42 LYS H H 2.365 1.216 11.760 1.00 . A A . 42 LYS H 1 1 24 28723 1 1 42 LYS HA H -0.386 1.125 12.525 1.00 . A A . 42 LYS HA 1 1 24 28724 1 1 42 LYS HB2 H 1.464 3.534 12.280 1.00 . A A . 42 LYS HB2 1 1 24 28725 1 1 42 LYS HB3 H -0.142 3.512 13.027 1.00 . A A . 42 LYS HB3 1 1 24 28726 1 1 42 LYS HD2 H 2.156 3.094 15.961 1.00 . A A . 42 LYS HD2 1 1 24 28727 1 1 42 LYS HD3 H 1.942 4.367 14.748 1.00 . A A . 42 LYS HD3 1 1 24 28728 1 1 42 LYS HE2 H -0.501 4.340 15.082 1.00 . A A . 42 LYS HE2 1 1 24 28729 1 1 42 LYS HE3 H -0.393 2.880 16.077 1.00 . A A . 42 LYS HE3 1 1 24 28730 1 1 42 LYS HG2 H 0.779 1.558 14.502 1.00 . A A . 42 LYS HG2 1 1 24 28731 1 1 42 LYS HG3 H 2.364 2.019 13.901 1.00 . A A . 42 LYS HG3 1 1 24 28732 1 1 42 LYS HZ1 H -0.682 4.830 17.401 1.00 . A A . 42 LYS HZ1 1 1 24 28733 1 1 42 LYS HZ2 H 0.781 4.155 17.726 1.00 . A A . 42 LYS HZ2 1 1 24 28734 1 1 42 LYS HZ3 H 0.689 5.517 16.805 1.00 . A A . 42 LYS HZ3 1 1 24 28735 1 1 42 LYS N N 1.415 0.899 11.548 1.00 . A A . 42 LYS N 1 1 24 28736 1 1 42 LYS NZ N 0.238 4.641 17.025 1.00 . A A . 42 LYS NZ 1 1 24 28737 1 1 42 LYS O O -1.601 1.713 10.502 1.00 . A A . 42 LYS O 1 1 24 28738 1 1 43 SER C C -1.218 2.423 7.851 1.00 . A A . 43 SER C 1 1 24 28739 1 1 43 SER CA C -0.621 3.566 8.676 1.00 . A A . 43 SER CA 1 1 24 28740 1 1 43 SER CB C 0.360 4.393 7.843 1.00 . A A . 43 SER CB 1 1 24 28741 1 1 43 SER H H 1.003 3.411 10.031 1.00 . A A . 43 SER H 1 1 24 28742 1 1 43 SER HA H -1.429 4.219 9.006 1.00 . A A . 43 SER HA 1 1 24 28743 1 1 43 SER HB2 H 1.081 3.739 7.353 1.00 . A A . 43 SER HB2 1 1 24 28744 1 1 43 SER HB3 H -0.186 4.952 7.078 1.00 . A A . 43 SER HB3 1 1 24 28745 1 1 43 SER HG H 0.455 5.944 9.017 1.00 . A A . 43 SER HG 1 1 24 28746 1 1 43 SER N N 0.070 3.060 9.856 1.00 . A A . 43 SER N 1 1 24 28747 1 1 43 SER O O -2.415 2.409 7.565 1.00 . A A . 43 SER O 1 1 24 28748 1 1 43 SER OG O 1.065 5.274 8.697 1.00 . A A . 43 SER OG 1 1 24 28749 1 1 44 ALA C C -2.020 -0.378 7.281 1.00 . A A . 44 ALA C 1 1 24 28750 1 1 44 ALA CA C -0.737 0.257 6.762 1.00 . A A . 44 ALA CA 1 1 24 28751 1 1 44 ALA CB C 0.404 -0.741 6.884 1.00 . A A . 44 ALA CB 1 1 24 28752 1 1 44 ALA H H 0.583 1.505 7.832 1.00 . A A . 44 ALA H 1 1 24 28753 1 1 44 ALA HA H -0.864 0.509 5.711 1.00 . A A . 44 ALA HA 1 1 24 28754 1 1 44 ALA HB1 H 1.325 -0.290 6.513 1.00 . A A . 44 ALA HB1 1 1 24 28755 1 1 44 ALA HB2 H 0.549 -1.023 7.926 1.00 . A A . 44 ALA HB2 1 1 24 28756 1 1 44 ALA HB3 H 0.133 -1.624 6.311 1.00 . A A . 44 ALA HB3 1 1 24 28757 1 1 44 ALA N N -0.375 1.452 7.502 1.00 . A A . 44 ALA N 1 1 24 28758 1 1 44 ALA O O -2.966 -0.578 6.515 1.00 . A A . 44 ALA O 1 1 24 28759 1 1 45 HIS C C -4.071 -0.257 9.904 1.00 . A A . 45 HIS C 1 1 24 28760 1 1 45 HIS CA C -3.157 -1.314 9.258 1.00 . A A . 45 HIS CA 1 1 24 28761 1 1 45 HIS CB C -2.619 -2.356 10.258 1.00 . A A . 45 HIS CB 1 1 24 28762 1 1 45 HIS CD2 C -0.888 -3.972 9.143 1.00 . A A . 45 HIS CD2 1 1 24 28763 1 1 45 HIS CE1 C -2.161 -5.745 9.009 1.00 . A A . 45 HIS CE1 1 1 24 28764 1 1 45 HIS CG C -2.139 -3.647 9.628 1.00 . A A . 45 HIS CG 1 1 24 28765 1 1 45 HIS H H -1.231 -0.451 9.153 1.00 . A A . 45 HIS H 1 1 24 28766 1 1 45 HIS HA H -3.770 -1.854 8.541 1.00 . A A . 45 HIS HA 1 1 24 28767 1 1 45 HIS HB2 H -1.840 -1.928 10.884 1.00 . A A . 45 HIS HB2 1 1 24 28768 1 1 45 HIS HB3 H -3.434 -2.643 10.925 1.00 . A A . 45 HIS HB3 1 1 24 28769 1 1 45 HIS HD1 H -3.870 -4.866 9.853 1.00 . A A . 45 HIS HD1 1 1 24 28770 1 1 45 HIS HD2 H -0.029 -3.320 9.093 1.00 . A A . 45 HIS HD2 1 1 24 28771 1 1 45 HIS HE1 H -2.527 -6.738 8.833 1.00 . A A . 45 HIS HE1 1 1 24 28772 1 1 45 HIS N N -2.037 -0.690 8.580 1.00 . A A . 45 HIS N 1 1 24 28773 1 1 45 HIS ND1 N -2.915 -4.775 9.541 1.00 . A A . 45 HIS ND1 1 1 24 28774 1 1 45 HIS NE2 N -0.914 -5.322 8.745 1.00 . A A . 45 HIS NE2 1 1 24 28775 1 1 45 HIS O O -4.688 -0.534 10.932 1.00 . A A . 45 HIS O 1 1 24 28776 1 1 46 LYS C C -5.727 2.746 8.642 1.00 . A A . 46 LYS C 1 1 24 28777 1 1 46 LYS CA C -5.078 1.993 9.803 1.00 . A A . 46 LYS CA 1 1 24 28778 1 1 46 LYS CB C -4.274 2.920 10.736 1.00 . A A . 46 LYS CB 1 1 24 28779 1 1 46 LYS CD C -5.914 4.949 11.036 1.00 . A A . 46 LYS CD 1 1 24 28780 1 1 46 LYS CE C -5.551 6.345 11.573 1.00 . A A . 46 LYS CE 1 1 24 28781 1 1 46 LYS CG C -5.068 3.834 11.674 1.00 . A A . 46 LYS CG 1 1 24 28782 1 1 46 LYS H H -3.590 1.153 8.516 1.00 . A A . 46 LYS H 1 1 24 28783 1 1 46 LYS HA H -5.885 1.547 10.387 1.00 . A A . 46 LYS HA 1 1 24 28784 1 1 46 LYS HB2 H -3.731 2.268 11.418 1.00 . A A . 46 LYS HB2 1 1 24 28785 1 1 46 LYS HB3 H -3.548 3.506 10.173 1.00 . A A . 46 LYS HB3 1 1 24 28786 1 1 46 LYS HD2 H -5.811 4.946 9.958 1.00 . A A . 46 LYS HD2 1 1 24 28787 1 1 46 LYS HD3 H -6.964 4.749 11.260 1.00 . A A . 46 LYS HD3 1 1 24 28788 1 1 46 LYS HE2 H -6.356 7.036 11.314 1.00 . A A . 46 LYS HE2 1 1 24 28789 1 1 46 LYS HE3 H -5.467 6.315 12.659 1.00 . A A . 46 LYS HE3 1 1 24 28790 1 1 46 LYS HG2 H -5.716 3.201 12.277 1.00 . A A . 46 LYS HG2 1 1 24 28791 1 1 46 LYS HG3 H -4.324 4.282 12.327 1.00 . A A . 46 LYS HG3 1 1 24 28792 1 1 46 LYS HZ1 H -4.541 7.523 10.219 1.00 . A A . 46 LYS HZ1 1 1 24 28793 1 1 46 LYS HZ2 H -3.692 7.328 11.625 1.00 . A A . 46 LYS HZ2 1 1 24 28794 1 1 46 LYS HZ3 H -3.812 6.153 10.431 1.00 . A A . 46 LYS HZ3 1 1 24 28795 1 1 46 LYS N N -4.199 0.935 9.302 1.00 . A A . 46 LYS N 1 1 24 28796 1 1 46 LYS NZ N -4.305 6.869 10.972 1.00 . A A . 46 LYS NZ 1 1 24 28797 1 1 46 LYS O O -6.941 2.682 8.470 1.00 . A A . 46 LYS O 1 1 24 28798 1 1 47 ASP C C -4.282 4.463 5.729 1.00 . A A . 47 ASP C 1 1 24 28799 1 1 47 ASP CA C -5.318 4.432 6.847 1.00 . A A . 47 ASP CA 1 1 24 28800 1 1 47 ASP CB C -5.609 5.839 7.388 1.00 . A A . 47 ASP CB 1 1 24 28801 1 1 47 ASP CG C -4.482 6.477 8.186 1.00 . A A . 47 ASP CG 1 1 24 28802 1 1 47 ASP H H -3.930 3.494 8.139 1.00 . A A . 47 ASP H 1 1 24 28803 1 1 47 ASP HA H -6.246 4.091 6.398 1.00 . A A . 47 ASP HA 1 1 24 28804 1 1 47 ASP HB2 H -5.834 6.496 6.546 1.00 . A A . 47 ASP HB2 1 1 24 28805 1 1 47 ASP HB3 H -6.502 5.792 8.007 1.00 . A A . 47 ASP HB3 1 1 24 28806 1 1 47 ASP N N -4.918 3.498 7.896 1.00 . A A . 47 ASP N 1 1 24 28807 1 1 47 ASP O O -3.751 5.513 5.370 1.00 . A A . 47 ASP O 1 1 24 28808 1 1 47 ASP OD1 O -3.609 5.760 8.730 1.00 . A A . 47 ASP OD1 1 1 24 28809 1 1 47 ASP OD2 O -4.650 7.666 8.537 1.00 . A A . 47 ASP OD2 1 1 24 28810 1 1 48 ALA C C -3.731 1.921 3.164 1.00 . A A . 48 ALA C 1 1 24 28811 1 1 48 ALA CA C -3.296 3.189 3.892 1.00 . A A . 48 ALA CA 1 1 24 28812 1 1 48 ALA CB C -1.786 3.254 4.167 1.00 . A A . 48 ALA CB 1 1 24 28813 1 1 48 ALA H H -4.475 2.474 5.524 1.00 . A A . 48 ALA H 1 1 24 28814 1 1 48 ALA HA H -3.553 4.029 3.244 1.00 . A A . 48 ALA HA 1 1 24 28815 1 1 48 ALA HB1 H -1.488 2.535 4.930 1.00 . A A . 48 ALA HB1 1 1 24 28816 1 1 48 ALA HB2 H -1.230 3.061 3.248 1.00 . A A . 48 ALA HB2 1 1 24 28817 1 1 48 ALA HB3 H -1.533 4.252 4.523 1.00 . A A . 48 ALA HB3 1 1 24 28818 1 1 48 ALA N N -4.039 3.297 5.134 1.00 . A A . 48 ALA N 1 1 24 28819 1 1 48 ALA O O -4.711 1.931 2.415 1.00 . A A . 48 ALA O 1 1 24 28820 1 1 49 CYS C C -4.544 -1.034 3.081 1.00 . A A . 49 CYS C 1 1 24 28821 1 1 49 CYS CA C -3.226 -0.395 2.625 1.00 . A A . 49 CYS CA 1 1 24 28822 1 1 49 CYS CB C -2.052 -1.336 2.759 1.00 . A A . 49 CYS CB 1 1 24 28823 1 1 49 CYS H H -2.283 0.837 4.075 1.00 . A A . 49 CYS H 1 1 24 28824 1 1 49 CYS HA H -3.321 -0.123 1.573 1.00 . A A . 49 CYS HA 1 1 24 28825 1 1 49 CYS HB2 H -2.179 -1.847 3.697 1.00 . A A . 49 CYS HB2 1 1 24 28826 1 1 49 CYS HB3 H -2.082 -2.085 1.967 1.00 . A A . 49 CYS HB3 1 1 24 28827 1 1 49 CYS N N -3.014 0.820 3.384 1.00 . A A . 49 CYS N 1 1 24 28828 1 1 49 CYS O O -5.428 -1.306 2.268 1.00 . A A . 49 CYS O 1 1 24 28829 1 1 49 CYS SG S -0.390 -0.583 2.877 1.00 . A A . 49 CYS SG 1 1 24 28830 1 1 50 LYS C C -7.047 -0.633 4.958 1.00 . A A . 50 LYS C 1 1 24 28831 1 1 50 LYS CA C -6.006 -1.756 4.906 1.00 . A A . 50 LYS CA 1 1 24 28832 1 1 50 LYS CB C -5.801 -2.412 6.283 1.00 . A A . 50 LYS CB 1 1 24 28833 1 1 50 LYS CD C -5.650 -5.011 6.129 1.00 . A A . 50 LYS CD 1 1 24 28834 1 1 50 LYS CE C -6.597 -5.198 4.929 1.00 . A A . 50 LYS CE 1 1 24 28835 1 1 50 LYS CG C -4.909 -3.662 6.228 1.00 . A A . 50 LYS CG 1 1 24 28836 1 1 50 LYS H H -4.022 -0.970 5.055 1.00 . A A . 50 LYS H 1 1 24 28837 1 1 50 LYS HA H -6.387 -2.510 4.221 1.00 . A A . 50 LYS HA 1 1 24 28838 1 1 50 LYS HB2 H -5.329 -1.666 6.920 1.00 . A A . 50 LYS HB2 1 1 24 28839 1 1 50 LYS HB3 H -6.753 -2.669 6.747 1.00 . A A . 50 LYS HB3 1 1 24 28840 1 1 50 LYS HD2 H -4.874 -5.778 6.053 1.00 . A A . 50 LYS HD2 1 1 24 28841 1 1 50 LYS HD3 H -6.186 -5.197 7.062 1.00 . A A . 50 LYS HD3 1 1 24 28842 1 1 50 LYS HE2 H -6.143 -4.791 4.024 1.00 . A A . 50 LYS HE2 1 1 24 28843 1 1 50 LYS HE3 H -6.737 -6.270 4.773 1.00 . A A . 50 LYS HE3 1 1 24 28844 1 1 50 LYS HG2 H -4.176 -3.558 5.429 1.00 . A A . 50 LYS HG2 1 1 24 28845 1 1 50 LYS HG3 H -4.335 -3.694 7.156 1.00 . A A . 50 LYS HG3 1 1 24 28846 1 1 50 LYS HZ1 H -8.511 -4.747 4.325 1.00 . A A . 50 LYS HZ1 1 1 24 28847 1 1 50 LYS HZ2 H -8.387 -5.040 5.936 1.00 . A A . 50 LYS HZ2 1 1 24 28848 1 1 50 LYS HZ3 H -7.861 -3.613 5.321 1.00 . A A . 50 LYS HZ3 1 1 24 28849 1 1 50 LYS N N -4.739 -1.244 4.388 1.00 . A A . 50 LYS N 1 1 24 28850 1 1 50 LYS NZ N -7.935 -4.603 5.145 1.00 . A A . 50 LYS NZ 1 1 24 28851 1 1 50 LYS O O -7.647 -0.382 5.999 1.00 . A A . 50 LYS O 1 1 24 28852 1 1 51 THR C C -8.832 0.988 2.239 1.00 . A A . 51 THR C 1 1 24 28853 1 1 51 THR CA C -8.342 1.019 3.677 1.00 . A A . 51 THR CA 1 1 24 28854 1 1 51 THR CB C -7.827 2.394 4.121 1.00 . A A . 51 THR CB 1 1 24 28855 1 1 51 THR CG2 C -8.813 3.527 3.823 1.00 . A A . 51 THR CG2 1 1 24 28856 1 1 51 THR H H -6.774 -0.237 2.996 1.00 . A A . 51 THR H 1 1 24 28857 1 1 51 THR HA H -9.195 0.754 4.307 1.00 . A A . 51 THR HA 1 1 24 28858 1 1 51 THR HB H -6.880 2.621 3.631 1.00 . A A . 51 THR HB 1 1 24 28859 1 1 51 THR HG1 H -7.757 1.462 5.848 1.00 . A A . 51 THR HG1 1 1 24 28860 1 1 51 THR HG21 H -8.443 4.450 4.269 1.00 . A A . 51 THR HG21 1 1 24 28861 1 1 51 THR HG22 H -8.908 3.679 2.747 1.00 . A A . 51 THR HG22 1 1 24 28862 1 1 51 THR HG23 H -9.791 3.296 4.246 1.00 . A A . 51 THR HG23 1 1 24 28863 1 1 51 THR N N -7.300 0.019 3.825 1.00 . A A . 51 THR N 1 1 24 28864 1 1 51 THR O O -9.988 0.652 2.011 1.00 . A A . 51 THR O 1 1 24 28865 1 1 51 THR OG1 O -7.615 2.357 5.513 1.00 . A A . 51 THR OG1 1 1 24 28866 1 1 52 CYS C C -9.019 0.006 -0.577 1.00 . A A . 52 CYS C 1 1 24 28867 1 1 52 CYS CA C -8.370 1.316 -0.136 1.00 . A A . 52 CYS CA 1 1 24 28868 1 1 52 CYS CB C -7.187 1.571 -1.015 1.00 . A A . 52 CYS CB 1 1 24 28869 1 1 52 CYS H H -7.020 1.567 1.501 1.00 . A A . 52 CYS H 1 1 24 28870 1 1 52 CYS HA H -9.105 2.109 -0.288 1.00 . A A . 52 CYS HA 1 1 24 28871 1 1 52 CYS HB2 H -6.278 1.194 -0.545 1.00 . A A . 52 CYS HB2 1 1 24 28872 1 1 52 CYS HB3 H -7.338 1.024 -1.947 1.00 . A A . 52 CYS HB3 1 1 24 28873 1 1 52 CYS N N -7.969 1.297 1.267 1.00 . A A . 52 CYS N 1 1 24 28874 1 1 52 CYS O O -10.050 0.026 -1.248 1.00 . A A . 52 CYS O 1 1 24 28875 1 1 52 CYS SG S -7.017 3.322 -1.459 1.00 . A A . 52 CYS SG 1 1 24 28876 1 1 53 HIS C C -10.128 -2.876 0.062 1.00 . A A . 53 HIS C 1 1 24 28877 1 1 53 HIS CA C -8.883 -2.428 -0.729 1.00 . A A . 53 HIS CA 1 1 24 28878 1 1 53 HIS CB C -7.753 -3.479 -0.662 1.00 . A A . 53 HIS CB 1 1 24 28879 1 1 53 HIS CD2 C -5.740 -2.792 -2.173 1.00 . A A . 53 HIS CD2 1 1 24 28880 1 1 53 HIS CE1 C -4.333 -2.270 -0.593 1.00 . A A . 53 HIS CE1 1 1 24 28881 1 1 53 HIS CG C -6.356 -2.995 -0.962 1.00 . A A . 53 HIS CG 1 1 24 28882 1 1 53 HIS H H -7.549 -1.086 0.276 1.00 . A A . 53 HIS H 1 1 24 28883 1 1 53 HIS HA H -9.159 -2.315 -1.778 1.00 . A A . 53 HIS HA 1 1 24 28884 1 1 53 HIS HB2 H -7.723 -3.880 0.351 1.00 . A A . 53 HIS HB2 1 1 24 28885 1 1 53 HIS HB3 H -7.985 -4.324 -1.306 1.00 . A A . 53 HIS HB3 1 1 24 28886 1 1 53 HIS HD1 H -5.629 -2.501 1.000 1.00 . A A . 53 HIS HD1 1 1 24 28887 1 1 53 HIS HD2 H -6.139 -2.923 -3.163 1.00 . A A . 53 HIS HD2 1 1 24 28888 1 1 53 HIS HE1 H -3.476 -1.894 -0.076 1.00 . A A . 53 HIS HE1 1 1 24 28889 1 1 53 HIS N N -8.414 -1.135 -0.241 1.00 . A A . 53 HIS N 1 1 24 28890 1 1 53 HIS ND1 N -5.455 -2.668 0.013 1.00 . A A . 53 HIS ND1 1 1 24 28891 1 1 53 HIS NE2 N -4.448 -2.317 -1.923 1.00 . A A . 53 HIS NE2 1 1 24 28892 1 1 53 HIS O O -10.127 -3.965 0.632 1.00 . A A . 53 HIS O 1 1 24 28893 1 1 54 LYS C C -13.046 -3.631 0.258 1.00 . A A . 54 LYS C 1 1 24 28894 1 1 54 LYS CA C -12.418 -2.361 0.833 1.00 . A A . 54 LYS CA 1 1 24 28895 1 1 54 LYS CB C -13.428 -1.199 0.744 1.00 . A A . 54 LYS CB 1 1 24 28896 1 1 54 LYS CD C -12.537 1.216 0.842 1.00 . A A . 54 LYS CD 1 1 24 28897 1 1 54 LYS CE C -13.571 1.944 -0.032 1.00 . A A . 54 LYS CE 1 1 24 28898 1 1 54 LYS CG C -13.081 0.013 1.629 1.00 . A A . 54 LYS CG 1 1 24 28899 1 1 54 LYS H H -11.102 -1.160 -0.356 1.00 . A A . 54 LYS H 1 1 24 28900 1 1 54 LYS HA H -12.188 -2.554 1.883 1.00 . A A . 54 LYS HA 1 1 24 28901 1 1 54 LYS HB2 H -13.554 -0.905 -0.297 1.00 . A A . 54 LYS HB2 1 1 24 28902 1 1 54 LYS HB3 H -14.387 -1.585 1.096 1.00 . A A . 54 LYS HB3 1 1 24 28903 1 1 54 LYS HD2 H -12.079 1.918 1.542 1.00 . A A . 54 LYS HD2 1 1 24 28904 1 1 54 LYS HD3 H -11.733 0.856 0.203 1.00 . A A . 54 LYS HD3 1 1 24 28905 1 1 54 LYS HE2 H -13.034 2.620 -0.701 1.00 . A A . 54 LYS HE2 1 1 24 28906 1 1 54 LYS HE3 H -14.117 1.230 -0.651 1.00 . A A . 54 LYS HE3 1 1 24 28907 1 1 54 LYS HG2 H -13.965 0.306 2.193 1.00 . A A . 54 LYS HG2 1 1 24 28908 1 1 54 LYS HG3 H -12.326 -0.294 2.355 1.00 . A A . 54 LYS HG3 1 1 24 28909 1 1 54 LYS HZ1 H -15.179 3.205 0.152 1.00 . A A . 54 LYS HZ1 1 1 24 28910 1 1 54 LYS HZ2 H -15.042 2.138 1.394 1.00 . A A . 54 LYS HZ2 1 1 24 28911 1 1 54 LYS HZ3 H -14.031 3.436 1.305 1.00 . A A . 54 LYS HZ3 1 1 24 28912 1 1 54 LYS N N -11.180 -2.049 0.123 1.00 . A A . 54 LYS N 1 1 24 28913 1 1 54 LYS NZ N -14.526 2.738 0.767 1.00 . A A . 54 LYS NZ 1 1 24 28914 1 1 54 LYS O O -13.291 -4.589 0.987 1.00 . A A . 54 LYS O 1 1 24 28915 1 1 55 SER C C -13.169 -5.089 -2.975 1.00 . A A . 55 SER C 1 1 24 28916 1 1 55 SER CA C -13.998 -4.679 -1.763 1.00 . A A . 55 SER CA 1 1 24 28917 1 1 55 SER CB C -15.391 -4.191 -2.181 1.00 . A A . 55 SER CB 1 1 24 28918 1 1 55 SER H H -13.042 -2.797 -1.582 1.00 . A A . 55 SER H 1 1 24 28919 1 1 55 SER HA H -14.117 -5.557 -1.125 1.00 . A A . 55 SER HA 1 1 24 28920 1 1 55 SER HB2 H -15.295 -3.435 -2.963 1.00 . A A . 55 SER HB2 1 1 24 28921 1 1 55 SER HB3 H -15.953 -5.036 -2.585 1.00 . A A . 55 SER HB3 1 1 24 28922 1 1 55 SER HG H -16.980 -3.439 -1.326 1.00 . A A . 55 SER HG 1 1 24 28923 1 1 55 SER N N -13.309 -3.612 -1.051 1.00 . A A . 55 SER N 1 1 24 28924 1 1 55 SER O O -13.714 -5.297 -4.057 1.00 . A A . 55 SER O 1 1 24 28925 1 1 55 SER OG O -16.075 -3.638 -1.070 1.00 . A A . 55 SER OG 1 1 24 28926 1 1 56 ASN C C -10.299 -6.892 -3.369 1.00 . A A . 56 ASN C 1 1 24 28927 1 1 56 ASN CA C -10.908 -5.573 -3.827 1.00 . A A . 56 ASN CA 1 1 24 28928 1 1 56 ASN CB C -9.787 -4.536 -4.006 1.00 . A A . 56 ASN CB 1 1 24 28929 1 1 56 ASN CG C -10.244 -3.130 -4.400 1.00 . A A . 56 ASN CG 1 1 24 28930 1 1 56 ASN H H -11.490 -5.093 -1.850 1.00 . A A . 56 ASN H 1 1 24 28931 1 1 56 ASN HA H -11.411 -5.708 -4.786 1.00 . A A . 56 ASN HA 1 1 24 28932 1 1 56 ASN HB2 H -9.234 -4.456 -3.074 1.00 . A A . 56 ASN HB2 1 1 24 28933 1 1 56 ASN HB3 H -9.106 -4.908 -4.772 1.00 . A A . 56 ASN HB3 1 1 24 28934 1 1 56 ASN HD21 H -8.457 -2.709 -5.316 1.00 . A A . 56 ASN HD21 1 1 24 28935 1 1 56 ASN HD22 H -9.672 -1.445 -5.322 1.00 . A A . 56 ASN HD22 1 1 24 28936 1 1 56 ASN N N -11.850 -5.182 -2.789 1.00 . A A . 56 ASN N 1 1 24 28937 1 1 56 ASN ND2 N -9.372 -2.370 -5.058 1.00 . A A . 56 ASN ND2 1 1 24 28938 1 1 56 ASN O O -9.983 -7.032 -2.189 1.00 . A A . 56 ASN O 1 1 24 28939 1 1 56 ASN OD1 O -11.350 -2.701 -4.089 1.00 . A A . 56 ASN OD1 1 1 24 28940 1 1 57 ASN C C -10.455 -10.028 -3.205 1.00 . A A . 57 ASN C 1 1 24 28941 1 1 57 ASN CA C -9.515 -9.136 -4.032 1.00 . A A . 57 ASN CA 1 1 24 28942 1 1 57 ASN CB C -8.138 -8.967 -3.365 1.00 . A A . 57 ASN CB 1 1 24 28943 1 1 57 ASN CG C -7.133 -10.034 -3.785 1.00 . A A . 57 ASN CG 1 1 24 28944 1 1 57 ASN H H -10.376 -7.612 -5.249 1.00 . A A . 57 ASN H 1 1 24 28945 1 1 57 ASN HA H -9.377 -9.608 -5.007 1.00 . A A . 57 ASN HA 1 1 24 28946 1 1 57 ASN HB2 H -7.725 -8.000 -3.659 1.00 . A A . 57 ASN HB2 1 1 24 28947 1 1 57 ASN HB3 H -8.238 -8.980 -2.279 1.00 . A A . 57 ASN HB3 1 1 24 28948 1 1 57 ASN HD21 H -5.629 -8.678 -3.676 1.00 . A A . 57 ASN HD21 1 1 24 28949 1 1 57 ASN HD22 H -5.135 -10.216 -4.307 1.00 . A A . 57 ASN HD22 1 1 24 28950 1 1 57 ASN N N -10.105 -7.827 -4.301 1.00 . A A . 57 ASN N 1 1 24 28951 1 1 57 ASN ND2 N -5.874 -9.630 -3.885 1.00 . A A . 57 ASN ND2 1 1 24 28952 1 1 57 ASN O O -11.552 -9.615 -2.835 1.00 . A A . 57 ASN O 1 1 24 28953 1 1 57 ASN OD1 O -7.493 -11.183 -4.029 1.00 . A A . 57 ASN OD1 1 1 24 28954 1 1 58 GLY C C -10.543 -12.240 -0.713 1.00 . A A . 58 GLY C 1 1 24 28955 1 1 58 GLY CA C -10.830 -12.256 -2.219 1.00 . A A . 58 GLY CA 1 1 24 28956 1 1 58 GLY H H -9.126 -11.552 -3.276 1.00 . A A . 58 GLY H 1 1 24 28957 1 1 58 GLY HA2 H -11.894 -12.090 -2.392 1.00 . A A . 58 GLY HA2 1 1 24 28958 1 1 58 GLY HA3 H -10.564 -13.237 -2.612 1.00 . A A . 58 GLY HA3 1 1 24 28959 1 1 58 GLY N N -10.042 -11.271 -2.945 1.00 . A A . 58 GLY N 1 1 24 28960 1 1 58 GLY O O -9.657 -11.519 -0.244 1.00 . A A . 58 GLY O 1 1 24 28961 1 1 59 PRO C C -9.585 -13.820 1.626 1.00 . A A . 59 PRO C 1 1 24 28962 1 1 59 PRO CA C -10.998 -13.255 1.474 1.00 . A A . 59 PRO CA 1 1 24 28963 1 1 59 PRO CB C -12.078 -14.212 1.985 1.00 . A A . 59 PRO CB 1 1 24 28964 1 1 59 PRO CD C -12.318 -13.968 -0.386 1.00 . A A . 59 PRO CD 1 1 24 28965 1 1 59 PRO CG C -12.471 -14.998 0.734 1.00 . A A . 59 PRO CG 1 1 24 28966 1 1 59 PRO HA H -11.079 -12.301 2.001 1.00 . A A . 59 PRO HA 1 1 24 28967 1 1 59 PRO HB2 H -11.722 -14.862 2.786 1.00 . A A . 59 PRO HB2 1 1 24 28968 1 1 59 PRO HB3 H -12.940 -13.634 2.324 1.00 . A A . 59 PRO HB3 1 1 24 28969 1 1 59 PRO HD2 H -12.065 -14.478 -1.317 1.00 . A A . 59 PRO HD2 1 1 24 28970 1 1 59 PRO HD3 H -13.249 -13.412 -0.508 1.00 . A A . 59 PRO HD3 1 1 24 28971 1 1 59 PRO HG2 H -11.755 -15.808 0.580 1.00 . A A . 59 PRO HG2 1 1 24 28972 1 1 59 PRO HG3 H -13.483 -15.400 0.794 1.00 . A A . 59 PRO HG3 1 1 24 28973 1 1 59 PRO N N -11.275 -13.059 0.062 1.00 . A A . 59 PRO N 1 1 24 28974 1 1 59 PRO O O -9.197 -14.741 0.912 1.00 . A A . 59 PRO O 1 1 24 28975 1 1 60 THR C C -7.009 -13.026 4.032 1.00 . A A . 60 THR C 1 1 24 28976 1 1 60 THR CA C -7.361 -13.336 2.586 1.00 . A A . 60 THR CA 1 1 24 28977 1 1 60 THR CB C -6.740 -12.282 1.650 1.00 . A A . 60 THR CB 1 1 24 28978 1 1 60 THR CG2 C -6.575 -12.791 0.215 1.00 . A A . 60 THR CG2 1 1 24 28979 1 1 60 THR H H -9.178 -12.500 3.118 1.00 . A A . 60 THR H 1 1 24 28980 1 1 60 THR HA H -7.016 -14.341 2.334 1.00 . A A . 60 THR HA 1 1 24 28981 1 1 60 THR HB H -5.746 -12.023 2.018 1.00 . A A . 60 THR HB 1 1 24 28982 1 1 60 THR HG1 H -8.254 -11.232 0.988 1.00 . A A . 60 THR HG1 1 1 24 28983 1 1 60 THR HG21 H -6.131 -12.007 -0.399 1.00 . A A . 60 THR HG21 1 1 24 28984 1 1 60 THR HG22 H -5.915 -13.659 0.210 1.00 . A A . 60 THR HG22 1 1 24 28985 1 1 60 THR HG23 H -7.534 -13.073 -0.215 1.00 . A A . 60 THR HG23 1 1 24 28986 1 1 60 THR N N -8.805 -13.223 2.524 1.00 . A A . 60 THR N 1 1 24 28987 1 1 60 THR O O -6.510 -13.878 4.764 1.00 . A A . 60 THR O 1 1 24 28988 1 1 60 THR OG1 O -7.551 -11.115 1.647 1.00 . A A . 60 THR OG1 1 1 24 28989 1 1 61 LYS C C -5.632 -10.982 5.963 1.00 . A A . 61 LYS C 1 1 24 28990 1 1 61 LYS CA C -7.126 -11.227 5.764 1.00 . A A . 61 LYS CA 1 1 24 28991 1 1 61 LYS CB C -7.786 -12.065 6.876 1.00 . A A . 61 LYS CB 1 1 24 28992 1 1 61 LYS CD C -9.981 -13.317 7.205 1.00 . A A . 61 LYS CD 1 1 24 28993 1 1 61 LYS CE C -11.504 -13.216 7.013 1.00 . A A . 61 LYS CE 1 1 24 28994 1 1 61 LYS CG C -9.318 -12.014 6.742 1.00 . A A . 61 LYS CG 1 1 24 28995 1 1 61 LYS H H -7.636 -11.165 3.696 1.00 . A A . 61 LYS H 1 1 24 28996 1 1 61 LYS HA H -7.605 -10.247 5.778 1.00 . A A . 61 LYS HA 1 1 24 28997 1 1 61 LYS HB2 H -7.436 -13.095 6.850 1.00 . A A . 61 LYS HB2 1 1 24 28998 1 1 61 LYS HB3 H -7.508 -11.653 7.848 1.00 . A A . 61 LYS HB3 1 1 24 28999 1 1 61 LYS HD2 H -9.579 -14.137 6.604 1.00 . A A . 61 LYS HD2 1 1 24 29000 1 1 61 LYS HD3 H -9.734 -13.492 8.255 1.00 . A A . 61 LYS HD3 1 1 24 29001 1 1 61 LYS HE2 H -11.896 -12.424 7.655 1.00 . A A . 61 LYS HE2 1 1 24 29002 1 1 61 LYS HE3 H -11.718 -12.954 5.975 1.00 . A A . 61 LYS HE3 1 1 24 29003 1 1 61 LYS HG2 H -9.689 -11.171 7.330 1.00 . A A . 61 LYS HG2 1 1 24 29004 1 1 61 LYS HG3 H -9.588 -11.845 5.700 1.00 . A A . 61 LYS HG3 1 1 24 29005 1 1 61 LYS HZ1 H -12.045 -14.740 8.293 1.00 . A A . 61 LYS HZ1 1 1 24 29006 1 1 61 LYS HZ2 H -13.193 -14.371 7.177 1.00 . A A . 61 LYS HZ2 1 1 24 29007 1 1 61 LYS HZ3 H -11.864 -15.226 6.729 1.00 . A A . 61 LYS HZ3 1 1 24 29008 1 1 61 LYS N N -7.341 -11.794 4.439 1.00 . A A . 61 LYS N 1 1 24 29009 1 1 61 LYS NZ N -12.198 -14.483 7.328 1.00 . A A . 61 LYS NZ 1 1 24 29010 1 1 61 LYS O O -5.220 -9.826 6.050 1.00 . A A . 61 LYS O 1 1 24 29011 1 1 62 CYS C C -2.919 -12.477 4.456 1.00 . A A . 62 CYS C 1 1 24 29012 1 1 62 CYS CA C -3.385 -11.948 5.808 1.00 . A A . 62 CYS CA 1 1 24 29013 1 1 62 CYS CB C -2.601 -12.528 6.964 1.00 . A A . 62 CYS CB 1 1 24 29014 1 1 62 CYS H H -5.280 -12.933 5.725 1.00 . A A . 62 CYS H 1 1 24 29015 1 1 62 CYS HA H -3.117 -10.916 5.745 1.00 . A A . 62 CYS HA 1 1 24 29016 1 1 62 CYS HB2 H -2.484 -13.598 6.804 1.00 . A A . 62 CYS HB2 1 1 24 29017 1 1 62 CYS HB3 H -1.619 -12.053 6.947 1.00 . A A . 62 CYS HB3 1 1 24 29018 1 1 62 CYS N N -4.832 -12.050 5.950 1.00 . A A . 62 CYS N 1 1 24 29019 1 1 62 CYS O O -3.714 -12.647 3.533 1.00 . A A . 62 CYS O 1 1 24 29020 1 1 62 CYS SG S -3.293 -12.297 8.626 1.00 . A A . 62 CYS SG 1 1 24 29021 1 1 63 GLY C C -0.814 -12.005 2.111 1.00 . A A . 63 GLY C 1 1 24 29022 1 1 63 GLY CA C -0.979 -13.149 3.101 1.00 . A A . 63 GLY CA 1 1 24 29023 1 1 63 GLY H H -1.003 -12.380 5.076 1.00 . A A . 63 GLY H 1 1 24 29024 1 1 63 GLY HA2 H 0.001 -13.560 3.350 1.00 . A A . 63 GLY HA2 1 1 24 29025 1 1 63 GLY HA3 H -1.582 -13.940 2.652 1.00 . A A . 63 GLY HA3 1 1 24 29026 1 1 63 GLY N N -1.604 -12.652 4.313 1.00 . A A . 63 GLY N 1 1 24 29027 1 1 63 GLY O O 0.312 -11.640 1.788 1.00 . A A . 63 GLY O 1 1 24 29028 1 1 64 GLY C C -0.860 -9.616 0.307 1.00 . A A . 64 GLY C 1 1 24 29029 1 1 64 GLY CA C -2.119 -10.405 0.667 1.00 . A A . 64 GLY CA 1 1 24 29030 1 1 64 GLY H H -2.790 -11.798 2.116 1.00 . A A . 64 GLY H 1 1 24 29031 1 1 64 GLY HA2 H -2.508 -10.883 -0.233 1.00 . A A . 64 GLY HA2 1 1 24 29032 1 1 64 GLY HA3 H -2.869 -9.701 1.033 1.00 . A A . 64 GLY HA3 1 1 24 29033 1 1 64 GLY N N -1.945 -11.428 1.696 1.00 . A A . 64 GLY N 1 1 24 29034 1 1 64 GLY O O -0.428 -9.611 -0.841 1.00 . A A . 64 GLY O 1 1 24 29035 1 1 65 CYS C C 2.110 -8.548 1.503 1.00 . A A . 65 CYS C 1 1 24 29036 1 1 65 CYS CA C 0.771 -7.948 1.087 1.00 . A A . 65 CYS CA 1 1 24 29037 1 1 65 CYS CB C 0.443 -6.708 1.873 1.00 . A A . 65 CYS CB 1 1 24 29038 1 1 65 CYS H H -0.748 -8.937 2.194 1.00 . A A . 65 CYS H 1 1 24 29039 1 1 65 CYS HA H 0.839 -7.669 0.034 1.00 . A A . 65 CYS HA 1 1 24 29040 1 1 65 CYS HB2 H 0.530 -6.944 2.932 1.00 . A A . 65 CYS HB2 1 1 24 29041 1 1 65 CYS HB3 H 1.138 -5.904 1.630 1.00 . A A . 65 CYS HB3 1 1 24 29042 1 1 65 CYS N N -0.305 -8.908 1.290 1.00 . A A . 65 CYS N 1 1 24 29043 1 1 65 CYS O O 3.101 -8.405 0.789 1.00 . A A . 65 CYS O 1 1 24 29044 1 1 65 CYS SG S -1.259 -6.222 1.444 1.00 . A A . 65 CYS SG 1 1 24 29045 1 1 66 HIS C C 3.943 -10.867 2.465 1.00 . A A . 66 HIS C 1 1 24 29046 1 1 66 HIS CA C 3.355 -9.717 3.280 1.00 . A A . 66 HIS CA 1 1 24 29047 1 1 66 HIS CB C 3.088 -10.162 4.728 1.00 . A A . 66 HIS CB 1 1 24 29048 1 1 66 HIS CD2 C 1.669 -8.658 6.261 1.00 . A A . 66 HIS CD2 1 1 24 29049 1 1 66 HIS CE1 C 3.191 -7.216 6.865 1.00 . A A . 66 HIS CE1 1 1 24 29050 1 1 66 HIS CG C 2.853 -9.015 5.673 1.00 . A A . 66 HIS CG 1 1 24 29051 1 1 66 HIS H H 1.257 -9.337 3.150 1.00 . A A . 66 HIS H 1 1 24 29052 1 1 66 HIS HA H 4.098 -8.919 3.296 1.00 . A A . 66 HIS HA 1 1 24 29053 1 1 66 HIS HB2 H 2.251 -10.856 4.770 1.00 . A A . 66 HIS HB2 1 1 24 29054 1 1 66 HIS HB3 H 3.965 -10.701 5.087 1.00 . A A . 66 HIS HB3 1 1 24 29055 1 1 66 HIS HD1 H 4.749 -8.014 5.724 1.00 . A A . 66 HIS HD1 1 1 24 29056 1 1 66 HIS HD2 H 0.703 -9.120 6.177 1.00 . A A . 66 HIS HD2 1 1 24 29057 1 1 66 HIS HE1 H 3.668 -6.357 7.303 1.00 . A A . 66 HIS HE1 1 1 24 29058 1 1 66 HIS N N 2.135 -9.199 2.672 1.00 . A A . 66 HIS N 1 1 24 29059 1 1 66 HIS ND1 N 3.803 -8.102 6.062 1.00 . A A . 66 HIS ND1 1 1 24 29060 1 1 66 HIS NE2 N 1.888 -7.502 7.003 1.00 . A A . 66 HIS NE2 1 1 24 29061 1 1 66 HIS O O 5.159 -10.987 2.367 1.00 . A A . 66 HIS O 1 1 24 29062 1 1 67 ILE C C 4.411 -13.773 1.838 1.00 . A A . 67 ILE C 1 1 24 29063 1 1 67 ILE CA C 3.410 -12.875 1.104 1.00 . A A . 67 ILE CA 1 1 24 29064 1 1 67 ILE CB C 3.873 -12.410 -0.294 1.00 . A A . 67 ILE CB 1 1 24 29065 1 1 67 ILE CD1 C 1.561 -12.267 -1.457 1.00 . A A . 67 ILE CD1 1 1 24 29066 1 1 67 ILE CG1 C 2.823 -11.525 -0.998 1.00 . A A . 67 ILE CG1 1 1 24 29067 1 1 67 ILE CG2 C 4.230 -13.599 -1.199 1.00 . A A . 67 ILE CG2 1 1 24 29068 1 1 67 ILE H H 2.095 -11.540 2.101 1.00 . A A . 67 ILE H 1 1 24 29069 1 1 67 ILE HA H 2.498 -13.458 0.973 1.00 . A A . 67 ILE HA 1 1 24 29070 1 1 67 ILE HB H 4.773 -11.807 -0.171 1.00 . A A . 67 ILE HB 1 1 24 29071 1 1 67 ILE HD11 H 0.882 -11.552 -1.922 1.00 . A A . 67 ILE HD11 1 1 24 29072 1 1 67 ILE HD12 H 1.807 -13.025 -2.197 1.00 . A A . 67 ILE HD12 1 1 24 29073 1 1 67 ILE HD13 H 1.051 -12.729 -0.614 1.00 . A A . 67 ILE HD13 1 1 24 29074 1 1 67 ILE HG12 H 2.518 -10.711 -0.343 1.00 . A A . 67 ILE HG12 1 1 24 29075 1 1 67 ILE HG13 H 3.286 -11.077 -1.878 1.00 . A A . 67 ILE HG13 1 1 24 29076 1 1 67 ILE HG21 H 3.423 -14.331 -1.205 1.00 . A A . 67 ILE HG21 1 1 24 29077 1 1 67 ILE HG22 H 4.403 -13.245 -2.216 1.00 . A A . 67 ILE HG22 1 1 24 29078 1 1 67 ILE HG23 H 5.140 -14.087 -0.853 1.00 . A A . 67 ILE HG23 1 1 24 29079 1 1 67 ILE N N 3.073 -11.732 1.944 1.00 . A A . 67 ILE N 1 1 24 29080 1 1 67 ILE O O 5.618 -13.740 1.594 1.00 . A A . 67 ILE O 1 1 24 29081 1 1 68 LYS C C 3.731 -16.741 3.758 1.00 . A A . 68 LYS C 1 1 24 29082 1 1 68 LYS CA C 4.665 -15.570 3.486 1.00 . A A . 68 LYS CA 1 1 24 29083 1 1 68 LYS CB C 5.199 -14.956 4.788 1.00 . A A . 68 LYS CB 1 1 24 29084 1 1 68 LYS CD C 7.599 -15.701 4.469 1.00 . A A . 68 LYS CD 1 1 24 29085 1 1 68 LYS CE C 7.827 -17.038 3.744 1.00 . A A . 68 LYS CE 1 1 24 29086 1 1 68 LYS CG C 6.366 -15.754 5.385 1.00 . A A . 68 LYS CG 1 1 24 29087 1 1 68 LYS H H 2.895 -14.703 2.884 1.00 . A A . 68 LYS H 1 1 24 29088 1 1 68 LYS HA H 5.470 -15.908 2.841 1.00 . A A . 68 LYS HA 1 1 24 29089 1 1 68 LYS HB2 H 5.538 -13.937 4.601 1.00 . A A . 68 LYS HB2 1 1 24 29090 1 1 68 LYS HB3 H 4.387 -14.910 5.516 1.00 . A A . 68 LYS HB3 1 1 24 29091 1 1 68 LYS HD2 H 7.468 -14.887 3.752 1.00 . A A . 68 LYS HD2 1 1 24 29092 1 1 68 LYS HD3 H 8.475 -15.469 5.080 1.00 . A A . 68 LYS HD3 1 1 24 29093 1 1 68 LYS HE2 H 8.262 -17.751 4.447 1.00 . A A . 68 LYS HE2 1 1 24 29094 1 1 68 LYS HE3 H 6.881 -17.457 3.398 1.00 . A A . 68 LYS HE3 1 1 24 29095 1 1 68 LYS HG2 H 6.618 -15.297 6.343 1.00 . A A . 68 LYS HG2 1 1 24 29096 1 1 68 LYS HG3 H 6.052 -16.783 5.575 1.00 . A A . 68 LYS HG3 1 1 24 29097 1 1 68 LYS HZ1 H 8.855 -17.770 2.127 1.00 . A A . 68 LYS HZ1 1 1 24 29098 1 1 68 LYS HZ2 H 8.300 -16.237 1.916 1.00 . A A . 68 LYS HZ2 1 1 24 29099 1 1 68 LYS HZ3 H 9.615 -16.513 2.870 1.00 . A A . 68 LYS HZ3 1 1 24 29100 1 1 68 LYS N N 3.896 -14.587 2.760 1.00 . A A . 68 LYS N 1 1 24 29101 1 1 68 LYS NZ N 8.719 -16.877 2.578 1.00 . A A . 68 LYS NZ 1 1 24 29102 1 1 68 LYS O O 4.263 -17.846 3.997 1.00 . A A . 68 LYS O 1 1 24 29103 1 1 68 LYS OXT O 2.505 -16.487 3.706 1.00 . A A . 68 LYS OXT 1 1 24 29104 2 2 1 HEC C1A C 7.611 8.014 -3.596 1.00 . B A . 69 HEC C1A 1 1 24 29105 2 2 1 HEC C1B C 5.085 9.332 -6.773 1.00 . B A . 69 HEC C1B 1 1 24 29106 2 2 1 HEC C1C C 2.026 6.674 -5.461 1.00 . B A . 69 HEC C1C 1 1 24 29107 2 2 1 HEC C1D C 4.288 5.908 -1.950 1.00 . B A . 69 HEC C1D 1 1 24 29108 2 2 1 HEC C2A C 8.754 8.822 -3.976 1.00 . B A . 69 HEC C2A 1 1 24 29109 2 2 1 HEC C2B C 4.386 9.833 -7.931 1.00 . B A . 69 HEC C2B 1 1 24 29110 2 2 1 HEC C2C C 0.823 5.987 -5.057 1.00 . B A . 69 HEC C2C 1 1 24 29111 2 2 1 HEC C2D C 4.971 5.442 -0.768 1.00 . B A . 69 HEC C2D 1 1 24 29112 2 2 1 HEC C3A C 8.371 9.585 -5.048 1.00 . B A . 69 HEC C3A 1 1 24 29113 2 2 1 HEC C3B C 3.216 9.118 -8.041 1.00 . B A . 69 HEC C3B 1 1 24 29114 2 2 1 HEC C3C C 1.015 5.563 -3.761 1.00 . B A . 69 HEC C3C 1 1 24 29115 2 2 1 HEC C3D C 6.278 5.852 -0.867 1.00 . B A . 69 HEC C3D 1 1 24 29116 2 2 1 HEC C4A C 7.003 9.247 -5.342 1.00 . B A . 69 HEC C4A 1 1 24 29117 2 2 1 HEC C4B C 3.201 8.168 -6.944 1.00 . B A . 69 HEC C4B 1 1 24 29118 2 2 1 HEC C4C C 2.375 5.926 -3.408 1.00 . B A . 69 HEC C4C 1 1 24 29119 2 2 1 HEC C4D C 6.399 6.577 -2.108 1.00 . B A . 69 HEC C4D 1 1 24 29120 2 2 1 HEC CAA C 10.100 8.927 -3.301 1.00 . B A . 69 HEC CAA 1 1 24 29121 2 2 1 HEC CAB C 2.031 9.494 -8.913 1.00 . B A . 69 HEC CAB 1 1 24 29122 2 2 1 HEC CAC C -0.059 5.042 -2.812 1.00 . B A . 69 HEC CAC 1 1 24 29123 2 2 1 HEC CAD C 7.363 5.636 0.165 1.00 . B A . 69 HEC CAD 1 1 24 29124 2 2 1 HEC CBA C 11.195 8.082 -3.957 1.00 . B A . 69 HEC CBA 1 1 24 29125 2 2 1 HEC CBB C 2.320 9.578 -10.419 1.00 . B A . 69 HEC CBB 1 1 24 29126 2 2 1 HEC CBC C -0.625 3.663 -3.174 1.00 . B A . 69 HEC CBC 1 1 24 29127 2 2 1 HEC CBD C 8.001 4.256 0.074 1.00 . B A . 69 HEC CBD 1 1 24 29128 2 2 1 HEC CGA C 12.573 8.440 -3.388 1.00 . B A . 69 HEC CGA 1 1 24 29129 2 2 1 HEC CGD C 8.976 4.166 -1.099 1.00 . B A . 69 HEC CGD 1 1 24 29130 2 2 1 HEC CHA C 7.566 7.168 -2.513 1.00 . B A . 69 HEC CHA 1 1 24 29131 2 2 1 HEC CHB C 6.319 9.797 -6.387 1.00 . B A . 69 HEC CHB 1 1 24 29132 2 2 1 HEC CHC C 2.129 7.347 -6.651 1.00 . B A . 69 HEC CHC 1 1 24 29133 2 2 1 HEC CHD C 2.973 5.609 -2.209 1.00 . B A . 69 HEC CHD 1 1 24 29134 2 2 1 HEC CMA C 9.242 10.551 -5.821 1.00 . B A . 69 HEC CMA 1 1 24 29135 2 2 1 HEC CMB C 4.844 10.958 -8.837 1.00 . B A . 69 HEC CMB 1 1 24 29136 2 2 1 HEC CMC C -0.464 5.957 -5.852 1.00 . B A . 69 HEC CMC 1 1 24 29137 2 2 1 HEC CMD C 4.366 4.595 0.324 1.00 . B A . 69 HEC CMD 1 1 24 29138 2 2 1 HEC FE FE 4.764 7.456 -4.467 1.00 . B A . 69 HEC FE 1 1 24 29139 2 2 1 HEC HAA1 H 10.428 9.965 -3.307 1.00 . B A . 69 HEC HAA1 1 1 24 29140 2 2 1 HEC HAA2 H 10.024 8.624 -2.269 1.00 . B A . 69 HEC HAA2 1 1 24 29141 2 2 1 HEC HAB H 1.271 8.732 -8.821 1.00 . B A . 69 HEC HAB 1 1 24 29142 2 2 1 HEC HAC H 0.339 4.937 -1.805 1.00 . B A . 69 HEC HAC 1 1 24 29143 2 2 1 HEC HAD1 H 8.160 6.367 0.075 1.00 . B A . 69 HEC HAD1 1 1 24 29144 2 2 1 HEC HAD2 H 6.929 5.762 1.142 1.00 . B A . 69 HEC HAD2 1 1 24 29145 2 2 1 HEC HBA1 H 10.985 7.026 -3.784 1.00 . B A . 69 HEC HBA1 1 1 24 29146 2 2 1 HEC HBA2 H 11.188 8.261 -5.034 1.00 . B A . 69 HEC HBA2 1 1 24 29147 2 2 1 HEC HBB1 H 2.874 10.474 -10.682 1.00 . B A . 69 HEC HBB1 1 1 24 29148 2 2 1 HEC HBB2 H 2.889 8.702 -10.730 1.00 . B A . 69 HEC HBB2 1 1 24 29149 2 2 1 HEC HBB3 H 1.380 9.586 -10.971 1.00 . B A . 69 HEC HBB3 1 1 24 29150 2 2 1 HEC HBC1 H -1.025 3.187 -2.280 1.00 . B A . 69 HEC HBC1 1 1 24 29151 2 2 1 HEC HBC2 H -1.434 3.753 -3.895 1.00 . B A . 69 HEC HBC2 1 1 24 29152 2 2 1 HEC HBC3 H 0.162 3.027 -3.580 1.00 . B A . 69 HEC HBC3 1 1 24 29153 2 2 1 HEC HBD1 H 8.541 4.055 1.000 1.00 . B A . 69 HEC HBD1 1 1 24 29154 2 2 1 HEC HBD2 H 7.196 3.535 -0.034 1.00 . B A . 69 HEC HBD2 1 1 24 29155 2 2 1 HEC HHA H 8.441 6.959 -1.922 1.00 . B A . 69 HEC HHA 1 1 24 29156 2 2 1 HEC HHB H 6.803 10.567 -6.953 1.00 . B A . 69 HEC HHB 1 1 24 29157 2 2 1 HEC HHC H 1.289 7.304 -7.312 1.00 . B A . 69 HEC HHC 1 1 24 29158 2 2 1 HEC HHD H 2.431 5.027 -1.491 1.00 . B A . 69 HEC HHD 1 1 24 29159 2 2 1 HEC HMA1 H 8.919 11.572 -5.627 1.00 . B A . 69 HEC HMA1 1 1 24 29160 2 2 1 HEC HMA2 H 10.286 10.450 -5.527 1.00 . B A . 69 HEC HMA2 1 1 24 29161 2 2 1 HEC HMA3 H 9.171 10.335 -6.886 1.00 . B A . 69 HEC HMA3 1 1 24 29162 2 2 1 HEC HMB1 H 5.348 10.539 -9.707 1.00 . B A . 69 HEC HMB1 1 1 24 29163 2 2 1 HEC HMB2 H 3.987 11.548 -9.152 1.00 . B A . 69 HEC HMB2 1 1 24 29164 2 2 1 HEC HMB3 H 5.512 11.638 -8.319 1.00 . B A . 69 HEC HMB3 1 1 24 29165 2 2 1 HEC HMC1 H -0.885 6.961 -5.894 1.00 . B A . 69 HEC HMC1 1 1 24 29166 2 2 1 HEC HMC2 H -0.249 5.613 -6.859 1.00 . B A . 69 HEC HMC2 1 1 24 29167 2 2 1 HEC HMC3 H -1.210 5.295 -5.419 1.00 . B A . 69 HEC HMC3 1 1 24 29168 2 2 1 HEC HMD1 H 4.250 3.572 -0.039 1.00 . B A . 69 HEC HMD1 1 1 24 29169 2 2 1 HEC HMD2 H 5.003 4.588 1.201 1.00 . B A . 69 HEC HMD2 1 1 24 29170 2 2 1 HEC HMD3 H 3.395 5.001 0.605 1.00 . B A . 69 HEC HMD3 1 1 24 29171 2 2 1 HEC NA N 6.589 8.314 -4.455 1.00 . B A . 69 HEC NA 1 1 24 29172 2 2 1 HEC NB N 4.333 8.359 -6.202 1.00 . B A . 69 HEC NB 1 1 24 29173 2 2 1 HEC NC N 2.923 6.611 -4.451 1.00 . B A . 69 HEC NC 1 1 24 29174 2 2 1 HEC ND N 5.178 6.607 -2.702 1.00 . B A . 69 HEC ND 1 1 24 29175 2 2 1 HEC O1A O 13.379 9.004 -4.159 1.00 . B A . 69 HEC O1A 1 1 24 29176 2 2 1 HEC O1D O 9.921 4.986 -1.089 1.00 . B A . 69 HEC O1D 1 1 24 29177 2 2 1 HEC O2A O 12.780 8.181 -2.182 1.00 . B A . 69 HEC O2A 1 1 24 29178 2 2 1 HEC O2D O 8.756 3.302 -1.971 1.00 . B A . 69 HEC O2D 1 1 24 29179 3 2 1 HEC C1A C -2.898 -4.373 -4.574 1.00 . C A . 70 HEC C1A 1 1 24 29180 3 2 1 HEC C1B C -0.899 -2.509 -1.276 1.00 . C A . 70 HEC C1B 1 1 24 29181 3 2 1 HEC C1C C -3.296 0.968 -1.763 1.00 . C A . 70 HEC C1C 1 1 24 29182 3 2 1 HEC C1D C -5.288 -0.875 -5.054 1.00 . C A . 70 HEC C1D 1 1 24 29183 3 2 1 HEC C2A C -2.182 -5.631 -4.481 1.00 . C A . 70 HEC C2A 1 1 24 29184 3 2 1 HEC C2B C -0.140 -2.034 -0.144 1.00 . C A . 70 HEC C2B 1 1 24 29185 3 2 1 HEC C2C C -4.037 2.203 -1.786 1.00 . C A . 70 HEC C2C 1 1 24 29186 3 2 1 HEC C2D C -5.970 -1.282 -6.252 1.00 . C A . 70 HEC C2D 1 1 24 29187 3 2 1 HEC C3A C -1.338 -5.537 -3.401 1.00 . C A . 70 HEC C3A 1 1 24 29188 3 2 1 HEC C3B C -0.550 -0.746 0.107 1.00 . C A . 70 HEC C3B 1 1 24 29189 3 2 1 HEC C3C C -4.986 2.082 -2.775 1.00 . C A . 70 HEC C3C 1 1 24 29190 3 2 1 HEC C3D C -5.488 -2.523 -6.593 1.00 . C A . 70 HEC C3D 1 1 24 29191 3 2 1 HEC C4A C -1.513 -4.224 -2.832 1.00 . C A . 70 HEC C4A 1 1 24 29192 3 2 1 HEC C4B C -1.557 -0.429 -0.884 1.00 . C A . 70 HEC C4B 1 1 24 29193 3 2 1 HEC C4C C -4.792 0.787 -3.390 1.00 . C A . 70 HEC C4C 1 1 24 29194 3 2 1 HEC C4D C -4.519 -2.890 -5.578 1.00 . C A . 70 HEC C4D 1 1 24 29195 3 2 1 HEC CAA C -2.308 -6.848 -5.379 1.00 . C A . 70 HEC CAA 1 1 24 29196 3 2 1 HEC CAB C -0.088 0.152 1.242 1.00 . C A . 70 HEC CAB 1 1 24 29197 3 2 1 HEC CAC C -6.145 3.030 -3.024 1.00 . C A . 70 HEC CAC 1 1 24 29198 3 2 1 HEC CAD C -5.826 -3.265 -7.869 1.00 . C A . 70 HEC CAD 1 1 24 29199 3 2 1 HEC CBA C -3.012 -8.033 -4.702 1.00 . C A . 70 HEC CBA 1 1 24 29200 3 2 1 HEC CBB C 1.376 0.589 1.081 1.00 . C A . 70 HEC CBB 1 1 24 29201 3 2 1 HEC CBC C -5.754 4.310 -3.758 1.00 . C A . 70 HEC CBC 1 1 24 29202 3 2 1 HEC CBD C -7.247 -3.842 -7.910 1.00 . C A . 70 HEC CBD 1 1 24 29203 3 2 1 HEC CGA C -3.072 -9.286 -5.588 1.00 . C A . 70 HEC CGA 1 1 24 29204 3 2 1 HEC CGD C -7.654 -4.265 -9.328 1.00 . C A . 70 HEC CGD 1 1 24 29205 3 2 1 HEC CHA C -3.833 -4.084 -5.549 1.00 . C A . 70 HEC CHA 1 1 24 29206 3 2 1 HEC CHB C -0.791 -3.787 -1.749 1.00 . C A . 70 HEC CHB 1 1 24 29207 3 2 1 HEC CHC C -2.279 0.734 -0.877 1.00 . C A . 70 HEC CHC 1 1 24 29208 3 2 1 HEC CHD C -5.527 0.330 -4.459 1.00 . C A . 70 HEC CHD 1 1 24 29209 3 2 1 HEC CMA C -0.358 -6.585 -2.923 1.00 . C A . 70 HEC CMA 1 1 24 29210 3 2 1 HEC CMB C 0.810 -2.867 0.682 1.00 . C A . 70 HEC CMB 1 1 24 29211 3 2 1 HEC CMC C -3.825 3.376 -0.854 1.00 . C A . 70 HEC CMC 1 1 24 29212 3 2 1 HEC CMD C -6.930 -0.416 -7.038 1.00 . C A . 70 HEC CMD 1 1 24 29213 3 2 1 HEC FE FE -3.089 -1.670 -3.185 1.00 . C A . 70 HEC FE 1 1 24 29214 3 2 1 HEC HAA1 H -2.846 -6.621 -6.295 1.00 . C A . 70 HEC HAA1 1 1 24 29215 3 2 1 HEC HAA2 H -1.311 -7.173 -5.679 1.00 . C A . 70 HEC HAA2 1 1 24 29216 3 2 1 HEC HAB H -0.654 1.075 1.256 1.00 . C A . 70 HEC HAB 1 1 24 29217 3 2 1 HEC HAC H -6.885 2.552 -3.661 1.00 . C A . 70 HEC HAC 1 1 24 29218 3 2 1 HEC HAD1 H -5.716 -2.557 -8.688 1.00 . C A . 70 HEC HAD1 1 1 24 29219 3 2 1 HEC HAD2 H -5.122 -4.072 -8.061 1.00 . C A . 70 HEC HAD2 1 1 24 29220 3 2 1 HEC HBA1 H -2.492 -8.286 -3.778 1.00 . C A . 70 HEC HBA1 1 1 24 29221 3 2 1 HEC HBA2 H -4.024 -7.715 -4.450 1.00 . C A . 70 HEC HBA2 1 1 24 29222 3 2 1 HEC HBB1 H 2.070 -0.161 1.457 1.00 . C A . 70 HEC HBB1 1 1 24 29223 3 2 1 HEC HBB2 H 1.595 0.775 0.029 1.00 . C A . 70 HEC HBB2 1 1 24 29224 3 2 1 HEC HBB3 H 1.545 1.516 1.622 1.00 . C A . 70 HEC HBB3 1 1 24 29225 3 2 1 HEC HBC1 H -6.638 4.928 -3.920 1.00 . C A . 70 HEC HBC1 1 1 24 29226 3 2 1 HEC HBC2 H -5.009 4.882 -3.209 1.00 . C A . 70 HEC HBC2 1 1 24 29227 3 2 1 HEC HBC3 H -5.342 4.011 -4.722 1.00 . C A . 70 HEC HBC3 1 1 24 29228 3 2 1 HEC HBD1 H -7.296 -4.694 -7.229 1.00 . C A . 70 HEC HBD1 1 1 24 29229 3 2 1 HEC HBD2 H -7.956 -3.090 -7.564 1.00 . C A . 70 HEC HBD2 1 1 24 29230 3 2 1 HEC HHA H -4.060 -4.830 -6.286 1.00 . C A . 70 HEC HHA 1 1 24 29231 3 2 1 HEC HHB H -0.121 -4.465 -1.247 1.00 . C A . 70 HEC HHB 1 1 24 29232 3 2 1 HEC HHC H -2.081 1.467 -0.120 1.00 . C A . 70 HEC HHC 1 1 24 29233 3 2 1 HEC HHD H -6.299 0.938 -4.885 1.00 . C A . 70 HEC HHD 1 1 24 29234 3 2 1 HEC HMA1 H 0.634 -6.145 -2.828 1.00 . C A . 70 HEC HMA1 1 1 24 29235 3 2 1 HEC HMA2 H -0.685 -6.969 -1.956 1.00 . C A . 70 HEC HMA2 1 1 24 29236 3 2 1 HEC HMA3 H -0.298 -7.414 -3.625 1.00 . C A . 70 HEC HMA3 1 1 24 29237 3 2 1 HEC HMB1 H 1.401 -2.239 1.340 1.00 . C A . 70 HEC HMB1 1 1 24 29238 3 2 1 HEC HMB2 H 0.227 -3.561 1.284 1.00 . C A . 70 HEC HMB2 1 1 24 29239 3 2 1 HEC HMB3 H 1.480 -3.427 0.034 1.00 . C A . 70 HEC HMB3 1 1 24 29240 3 2 1 HEC HMC1 H -4.175 3.106 0.141 1.00 . C A . 70 HEC HMC1 1 1 24 29241 3 2 1 HEC HMC2 H -2.772 3.648 -0.812 1.00 . C A . 70 HEC HMC2 1 1 24 29242 3 2 1 HEC HMC3 H -4.381 4.248 -1.188 1.00 . C A . 70 HEC HMC3 1 1 24 29243 3 2 1 HEC HMD1 H -6.451 0.544 -7.246 1.00 . C A . 70 HEC HMD1 1 1 24 29244 3 2 1 HEC HMD2 H -7.209 -0.889 -7.979 1.00 . C A . 70 HEC HMD2 1 1 24 29245 3 2 1 HEC HMD3 H -7.827 -0.238 -6.446 1.00 . C A . 70 HEC HMD3 1 1 24 29246 3 2 1 HEC NA N -2.450 -3.556 -3.565 1.00 . C A . 70 HEC NA 1 1 24 29247 3 2 1 HEC NB N -1.727 -1.513 -1.692 1.00 . C A . 70 HEC NB 1 1 24 29248 3 2 1 HEC NC N -3.776 0.157 -2.743 1.00 . C A . 70 HEC NC 1 1 24 29249 3 2 1 HEC ND N -4.425 -1.849 -4.700 1.00 . C A . 70 HEC ND 1 1 24 29250 3 2 1 HEC O1A O -2.544 -9.219 -6.721 1.00 . C A . 70 HEC O1A 1 1 24 29251 3 2 1 HEC O1D O -7.400 -3.467 -10.264 1.00 . C A . 70 HEC O1D 1 1 24 29252 3 2 1 HEC O2A O -3.661 -10.288 -5.119 1.00 . C A . 70 HEC O2A 1 1 24 29253 3 2 1 HEC O2D O -8.219 -5.368 -9.473 1.00 . C A . 70 HEC O2D 1 1 24 29254 4 2 1 HEC C1A C 2.680 -5.499 9.843 1.00 . D A . 71 HEC C1A 1 1 24 29255 4 2 1 HEC C1B C -0.129 -8.743 9.840 1.00 . D A . 71 HEC C1B 1 1 24 29256 4 2 1 HEC C1C C -1.543 -7.488 6.026 1.00 . D A . 71 HEC C1C 1 1 24 29257 4 2 1 HEC C1D C 1.237 -4.278 5.977 1.00 . D A . 71 HEC C1D 1 1 24 29258 4 2 1 HEC C2A C 3.320 -5.861 11.095 1.00 . D A . 71 HEC C2A 1 1 24 29259 4 2 1 HEC C2B C -1.018 -9.875 9.983 1.00 . D A . 71 HEC C2B 1 1 24 29260 4 2 1 HEC C2C C -2.087 -7.278 4.710 1.00 . D A . 71 HEC C2C 1 1 24 29261 4 2 1 HEC C2D C 2.174 -3.194 5.798 1.00 . D A . 71 HEC C2D 1 1 24 29262 4 2 1 HEC C3A C 2.557 -6.859 11.650 1.00 . D A . 71 HEC C3A 1 1 24 29263 4 2 1 HEC C3B C -1.876 -9.860 8.907 1.00 . D A . 71 HEC C3B 1 1 24 29264 4 2 1 HEC C3C C -1.521 -6.123 4.220 1.00 . D A . 71 HEC C3C 1 1 24 29265 4 2 1 HEC C3D C 2.928 -3.118 6.939 1.00 . D A . 71 HEC C3D 1 1 24 29266 4 2 1 HEC C4A C 1.612 -7.285 10.645 1.00 . D A . 71 HEC C4A 1 1 24 29267 4 2 1 HEC C4B C -1.375 -8.833 8.016 1.00 . D A . 71 HEC C4B 1 1 24 29268 4 2 1 HEC C4C C -0.521 -5.721 5.194 1.00 . D A . 71 HEC C4C 1 1 24 29269 4 2 1 HEC C4D C 2.474 -4.163 7.827 1.00 . D A . 71 HEC C4D 1 1 24 29270 4 2 1 HEC CAA C 4.574 -5.257 11.713 1.00 . D A . 71 HEC CAA 1 1 24 29271 4 2 1 HEC CAB C -3.265 -10.495 8.842 1.00 . D A . 71 HEC CAB 1 1 24 29272 4 2 1 HEC CAC C -1.880 -5.391 2.929 1.00 . D A . 71 HEC CAC 1 1 24 29273 4 2 1 HEC CAD C 4.088 -2.189 7.186 1.00 . D A . 71 HEC CAD 1 1 24 29274 4 2 1 HEC CBA C 5.822 -6.157 11.689 1.00 . D A . 71 HEC CBA 1 1 24 29275 4 2 1 HEC CBB C -4.132 -10.160 10.058 1.00 . D A . 71 HEC CBB 1 1 24 29276 4 2 1 HEC CBC C -3.380 -5.171 2.707 1.00 . D A . 71 HEC CBC 1 1 24 29277 4 2 1 HEC CBD C 5.459 -2.860 7.048 1.00 . D A . 71 HEC CBD 1 1 24 29278 4 2 1 HEC CGA C 5.882 -7.194 12.816 1.00 . D A . 71 HEC CGA 1 1 24 29279 4 2 1 HEC CGD C 6.367 -2.480 8.223 1.00 . D A . 71 HEC CGD 1 1 24 29280 4 2 1 HEC CHA C 3.067 -4.448 9.040 1.00 . D A . 71 HEC CHA 1 1 24 29281 4 2 1 HEC CHB C 0.775 -8.368 10.806 1.00 . D A . 71 HEC CHB 1 1 24 29282 4 2 1 HEC CHC C -1.947 -8.526 6.812 1.00 . D A . 71 HEC CHC 1 1 24 29283 4 2 1 HEC CHD C 0.324 -4.650 5.018 1.00 . D A . 71 HEC CHD 1 1 24 29284 4 2 1 HEC CMA C 2.628 -7.345 13.081 1.00 . D A . 71 HEC CMA 1 1 24 29285 4 2 1 HEC CMB C -1.014 -10.866 11.124 1.00 . D A . 71 HEC CMB 1 1 24 29286 4 2 1 HEC CMC C -2.982 -8.264 3.996 1.00 . D A . 71 HEC CMC 1 1 24 29287 4 2 1 HEC CMD C 2.333 -2.322 4.575 1.00 . D A . 71 HEC CMD 1 1 24 29288 4 2 1 HEC FE FE 0.526 -6.466 7.957 1.00 . D A . 71 HEC FE 1 1 24 29289 4 2 1 HEC HAA1 H 4.865 -4.367 11.163 1.00 . D A . 71 HEC HAA1 1 1 24 29290 4 2 1 HEC HAA2 H 4.384 -4.951 12.741 1.00 . D A . 71 HEC HAA2 1 1 24 29291 4 2 1 HEC HAB H -3.813 -10.087 8.003 1.00 . D A . 71 HEC HAB 1 1 24 29292 4 2 1 HEC HAC H -1.448 -4.394 2.951 1.00 . D A . 71 HEC HAC 1 1 24 29293 4 2 1 HEC HAD1 H 4.051 -1.302 6.556 1.00 . D A . 71 HEC HAD1 1 1 24 29294 4 2 1 HEC HAD2 H 4.005 -1.857 8.212 1.00 . D A . 71 HEC HAD2 1 1 24 29295 4 2 1 HEC HBA1 H 5.883 -6.651 10.717 1.00 . D A . 71 HEC HBA1 1 1 24 29296 4 2 1 HEC HBA2 H 6.701 -5.519 11.796 1.00 . D A . 71 HEC HBA2 1 1 24 29297 4 2 1 HEC HBB1 H -5.143 -10.535 9.893 1.00 . D A . 71 HEC HBB1 1 1 24 29298 4 2 1 HEC HBB2 H -3.734 -10.620 10.961 1.00 . D A . 71 HEC HBB2 1 1 24 29299 4 2 1 HEC HBB3 H -4.175 -9.079 10.190 1.00 . D A . 71 HEC HBB3 1 1 24 29300 4 2 1 HEC HBC1 H -3.811 -4.693 3.580 1.00 . D A . 71 HEC HBC1 1 1 24 29301 4 2 1 HEC HBC2 H -3.524 -4.526 1.840 1.00 . D A . 71 HEC HBC2 1 1 24 29302 4 2 1 HEC HBC3 H -3.894 -6.112 2.517 1.00 . D A . 71 HEC HBC3 1 1 24 29303 4 2 1 HEC HBD1 H 5.326 -3.943 7.051 1.00 . D A . 71 HEC HBD1 1 1 24 29304 4 2 1 HEC HBD2 H 5.906 -2.572 6.095 1.00 . D A . 71 HEC HBD2 1 1 24 29305 4 2 1 HEC HHA H 3.907 -3.841 9.335 1.00 . D A . 71 HEC HHA 1 1 24 29306 4 2 1 HEC HHB H 0.828 -8.945 11.711 1.00 . D A . 71 HEC HHB 1 1 24 29307 4 2 1 HEC HHC H -2.769 -9.101 6.461 1.00 . D A . 71 HEC HHC 1 1 24 29308 4 2 1 HEC HHD H 0.292 -4.114 4.087 1.00 . D A . 71 HEC HHD 1 1 24 29309 4 2 1 HEC HMA1 H 2.972 -6.534 13.721 1.00 . D A . 71 HEC HMA1 1 1 24 29310 4 2 1 HEC HMA2 H 1.647 -7.661 13.431 1.00 . D A . 71 HEC HMA2 1 1 24 29311 4 2 1 HEC HMA3 H 3.337 -8.162 13.181 1.00 . D A . 71 HEC HMA3 1 1 24 29312 4 2 1 HEC HMB1 H 0.005 -11.205 11.306 1.00 . D A . 71 HEC HMB1 1 1 24 29313 4 2 1 HEC HMB2 H -1.412 -10.395 12.022 1.00 . D A . 71 HEC HMB2 1 1 24 29314 4 2 1 HEC HMB3 H -1.620 -11.733 10.867 1.00 . D A . 71 HEC HMB3 1 1 24 29315 4 2 1 HEC HMC1 H -2.628 -9.280 4.197 1.00 . D A . 71 HEC HMC1 1 1 24 29316 4 2 1 HEC HMC2 H -4.002 -8.172 4.373 1.00 . D A . 71 HEC HMC2 1 1 24 29317 4 2 1 HEC HMC3 H -2.963 -8.099 2.922 1.00 . D A . 71 HEC HMC3 1 1 24 29318 4 2 1 HEC HMD1 H 3.373 -2.014 4.483 1.00 . D A . 71 HEC HMD1 1 1 24 29319 4 2 1 HEC HMD2 H 2.040 -2.868 3.686 1.00 . D A . 71 HEC HMD2 1 1 24 29320 4 2 1 HEC HMD3 H 1.714 -1.433 4.645 1.00 . D A . 71 HEC HMD3 1 1 24 29321 4 2 1 HEC NA N 1.687 -6.414 9.603 1.00 . D A . 71 HEC NA 1 1 24 29322 4 2 1 HEC NB N -0.367 -8.165 8.636 1.00 . D A . 71 HEC NB 1 1 24 29323 4 2 1 HEC NC N -0.596 -6.567 6.265 1.00 . D A . 71 HEC NC 1 1 24 29324 4 2 1 HEC ND N 1.459 -4.829 7.209 1.00 . D A . 71 HEC ND 1 1 24 29325 4 2 1 HEC O1A O 5.466 -6.870 13.949 1.00 . D A . 71 HEC O1A 1 1 24 29326 4 2 1 HEC O1D O 7.183 -1.548 8.058 1.00 . D A . 71 HEC O1D 1 1 24 29327 4 2 1 HEC O2A O 6.324 -8.334 12.535 1.00 . D A . 71 HEC O2A 1 1 24 29328 4 2 1 HEC O2D O 6.158 -3.090 9.298 1.00 . D A . 71 HEC O2D 1 1 25 29329 1 1 1 ALA C C 9.755 2.201 -8.530 1.00 . A A . 1 ALA C 1 1 25 29330 1 1 1 ALA CA C 11.182 2.175 -7.983 1.00 . A A . 1 ALA CA 1 1 25 29331 1 1 1 ALA CB C 12.076 1.095 -8.614 1.00 . A A . 1 ALA CB 1 1 25 29332 1 1 1 ALA H1 H 10.766 1.036 -6.346 1.00 . A A . 1 ALA H1 1 1 25 29333 1 1 1 ALA H2 H 11.975 2.144 -6.072 1.00 . A A . 1 ALA H2 1 1 25 29334 1 1 1 ALA H3 H 10.381 2.623 -6.188 1.00 . A A . 1 ALA H3 1 1 25 29335 1 1 1 ALA HA H 11.631 3.149 -8.179 1.00 . A A . 1 ALA HA 1 1 25 29336 1 1 1 ALA HB1 H 13.057 1.102 -8.138 1.00 . A A . 1 ALA HB1 1 1 25 29337 1 1 1 ALA HB2 H 11.633 0.107 -8.487 1.00 . A A . 1 ALA HB2 1 1 25 29338 1 1 1 ALA HB3 H 12.215 1.291 -9.678 1.00 . A A . 1 ALA HB3 1 1 25 29339 1 1 1 ALA N N 11.090 1.986 -6.527 1.00 . A A . 1 ALA N 1 1 25 29340 1 1 1 ALA O O 8.888 2.781 -7.876 1.00 . A A . 1 ALA O 1 1 25 29341 1 1 2 ASP C C 7.593 0.083 -9.137 1.00 . A A . 2 ASP C 1 1 25 29342 1 1 2 ASP CA C 8.200 1.091 -10.110 1.00 . A A . 2 ASP CA 1 1 25 29343 1 1 2 ASP CB C 8.380 0.442 -11.492 1.00 . A A . 2 ASP CB 1 1 25 29344 1 1 2 ASP CG C 9.321 -0.759 -11.437 1.00 . A A . 2 ASP CG 1 1 25 29345 1 1 2 ASP H H 10.232 1.046 -10.158 1.00 . A A . 2 ASP H 1 1 25 29346 1 1 2 ASP HA H 7.541 1.955 -10.139 1.00 . A A . 2 ASP HA 1 1 25 29347 1 1 2 ASP HB2 H 7.423 0.079 -11.858 1.00 . A A . 2 ASP HB2 1 1 25 29348 1 1 2 ASP HB3 H 8.779 1.170 -12.197 1.00 . A A . 2 ASP HB3 1 1 25 29349 1 1 2 ASP N N 9.499 1.545 -9.660 1.00 . A A . 2 ASP N 1 1 25 29350 1 1 2 ASP O O 6.372 0.014 -9.022 1.00 . A A . 2 ASP O 1 1 25 29351 1 1 2 ASP OD1 O 10.407 -0.584 -10.833 1.00 . A A . 2 ASP OD1 1 1 25 29352 1 1 2 ASP OD2 O 8.931 -1.817 -11.965 1.00 . A A . 2 ASP OD2 1 1 25 29353 1 1 3 VAL C C 8.923 -1.025 -6.072 1.00 . A A . 3 VAL C 1 1 25 29354 1 1 3 VAL CA C 8.069 -1.468 -7.266 1.00 . A A . 3 VAL CA 1 1 25 29355 1 1 3 VAL CB C 8.243 -2.957 -7.630 1.00 . A A . 3 VAL CB 1 1 25 29356 1 1 3 VAL CG1 C 9.665 -3.292 -8.102 1.00 . A A . 3 VAL CG1 1 1 25 29357 1 1 3 VAL CG2 C 7.857 -3.893 -6.478 1.00 . A A . 3 VAL CG2 1 1 25 29358 1 1 3 VAL H H 9.417 -0.619 -8.668 1.00 . A A . 3 VAL H 1 1 25 29359 1 1 3 VAL HA H 7.022 -1.300 -7.008 1.00 . A A . 3 VAL HA 1 1 25 29360 1 1 3 VAL HB H 7.562 -3.168 -8.457 1.00 . A A . 3 VAL HB 1 1 25 29361 1 1 3 VAL HG11 H 10.392 -3.063 -7.322 1.00 . A A . 3 VAL HG11 1 1 25 29362 1 1 3 VAL HG12 H 9.727 -4.354 -8.337 1.00 . A A . 3 VAL HG12 1 1 25 29363 1 1 3 VAL HG13 H 9.914 -2.731 -9.002 1.00 . A A . 3 VAL HG13 1 1 25 29364 1 1 3 VAL HG21 H 7.836 -4.922 -6.839 1.00 . A A . 3 VAL HG21 1 1 25 29365 1 1 3 VAL HG22 H 8.583 -3.826 -5.668 1.00 . A A . 3 VAL HG22 1 1 25 29366 1 1 3 VAL HG23 H 6.867 -3.637 -6.103 1.00 . A A . 3 VAL HG23 1 1 25 29367 1 1 3 VAL N N 8.438 -0.653 -8.415 1.00 . A A . 3 VAL N 1 1 25 29368 1 1 3 VAL O O 10.011 -0.470 -6.260 1.00 . A A . 3 VAL O 1 1 25 29369 1 1 4 VAL C C 8.868 -2.477 -2.849 1.00 . A A . 4 VAL C 1 1 25 29370 1 1 4 VAL CA C 9.236 -1.219 -3.627 1.00 . A A . 4 VAL CA 1 1 25 29371 1 1 4 VAL CB C 8.946 0.053 -2.808 1.00 . A A . 4 VAL CB 1 1 25 29372 1 1 4 VAL CG1 C 9.592 0.053 -1.410 1.00 . A A . 4 VAL CG1 1 1 25 29373 1 1 4 VAL CG2 C 9.449 1.295 -3.539 1.00 . A A . 4 VAL CG2 1 1 25 29374 1 1 4 VAL H H 7.497 -1.623 -4.734 1.00 . A A . 4 VAL H 1 1 25 29375 1 1 4 VAL HA H 10.301 -1.261 -3.850 1.00 . A A . 4 VAL HA 1 1 25 29376 1 1 4 VAL HB H 7.867 0.140 -2.709 1.00 . A A . 4 VAL HB 1 1 25 29377 1 1 4 VAL HG11 H 9.136 -0.691 -0.756 1.00 . A A . 4 VAL HG11 1 1 25 29378 1 1 4 VAL HG12 H 10.660 -0.153 -1.489 1.00 . A A . 4 VAL HG12 1 1 25 29379 1 1 4 VAL HG13 H 9.462 1.025 -0.935 1.00 . A A . 4 VAL HG13 1 1 25 29380 1 1 4 VAL HG21 H 8.941 1.396 -4.496 1.00 . A A . 4 VAL HG21 1 1 25 29381 1 1 4 VAL HG22 H 9.234 2.174 -2.933 1.00 . A A . 4 VAL HG22 1 1 25 29382 1 1 4 VAL HG23 H 10.524 1.210 -3.685 1.00 . A A . 4 VAL HG23 1 1 25 29383 1 1 4 VAL N N 8.437 -1.239 -4.846 1.00 . A A . 4 VAL N 1 1 25 29384 1 1 4 VAL O O 7.865 -3.130 -3.146 1.00 . A A . 4 VAL O 1 1 25 29385 1 1 5 THR C C 9.632 -3.163 0.590 1.00 . A A . 5 THR C 1 1 25 29386 1 1 5 THR CA C 9.170 -3.661 -0.776 1.00 . A A . 5 THR CA 1 1 25 29387 1 1 5 THR CB C 9.591 -5.112 -1.064 1.00 . A A . 5 THR CB 1 1 25 29388 1 1 5 THR CG2 C 11.106 -5.331 -1.053 1.00 . A A . 5 THR CG2 1 1 25 29389 1 1 5 THR H H 10.485 -2.268 -1.614 1.00 . A A . 5 THR H 1 1 25 29390 1 1 5 THR HA H 8.084 -3.535 -0.771 1.00 . A A . 5 THR HA 1 1 25 29391 1 1 5 THR HB H 9.218 -5.396 -2.049 1.00 . A A . 5 THR HB 1 1 25 29392 1 1 5 THR HG1 H 8.264 -5.451 0.261 1.00 . A A . 5 THR HG1 1 1 25 29393 1 1 5 THR HG21 H 11.587 -4.697 -1.798 1.00 . A A . 5 THR HG21 1 1 25 29394 1 1 5 THR HG22 H 11.519 -5.108 -0.070 1.00 . A A . 5 THR HG22 1 1 25 29395 1 1 5 THR HG23 H 11.319 -6.375 -1.288 1.00 . A A . 5 THR HG23 1 1 25 29396 1 1 5 THR N N 9.658 -2.806 -1.827 1.00 . A A . 5 THR N 1 1 25 29397 1 1 5 THR O O 10.749 -2.667 0.725 1.00 . A A . 5 THR O 1 1 25 29398 1 1 5 THR OG1 O 9.006 -5.948 -0.100 1.00 . A A . 5 THR OG1 1 1 25 29399 1 1 6 TYR C C 9.507 -4.578 3.485 1.00 . A A . 6 TYR C 1 1 25 29400 1 1 6 TYR CA C 9.117 -3.187 2.993 1.00 . A A . 6 TYR CA 1 1 25 29401 1 1 6 TYR CB C 7.943 -2.652 3.821 1.00 . A A . 6 TYR CB 1 1 25 29402 1 1 6 TYR CD1 C 8.123 -0.158 3.415 1.00 . A A . 6 TYR CD1 1 1 25 29403 1 1 6 TYR CD2 C 6.037 -1.291 2.880 1.00 . A A . 6 TYR CD2 1 1 25 29404 1 1 6 TYR CE1 C 7.567 1.061 2.987 1.00 . A A . 6 TYR CE1 1 1 25 29405 1 1 6 TYR CE2 C 5.469 -0.068 2.494 1.00 . A A . 6 TYR CE2 1 1 25 29406 1 1 6 TYR CG C 7.357 -1.336 3.359 1.00 . A A . 6 TYR CG 1 1 25 29407 1 1 6 TYR CZ C 6.228 1.111 2.572 1.00 . A A . 6 TYR CZ 1 1 25 29408 1 1 6 TYR H H 7.847 -3.691 1.370 1.00 . A A . 6 TYR H 1 1 25 29409 1 1 6 TYR HA H 9.958 -2.503 3.119 1.00 . A A . 6 TYR HA 1 1 25 29410 1 1 6 TYR HB2 H 7.152 -3.397 3.823 1.00 . A A . 6 TYR HB2 1 1 25 29411 1 1 6 TYR HB3 H 8.280 -2.530 4.852 1.00 . A A . 6 TYR HB3 1 1 25 29412 1 1 6 TYR HD1 H 9.147 -0.188 3.759 1.00 . A A . 6 TYR HD1 1 1 25 29413 1 1 6 TYR HD2 H 5.486 -2.206 2.726 1.00 . A A . 6 TYR HD2 1 1 25 29414 1 1 6 TYR HE1 H 8.185 1.944 2.931 1.00 . A A . 6 TYR HE1 1 1 25 29415 1 1 6 TYR HE2 H 4.500 -0.066 2.020 1.00 . A A . 6 TYR HE2 1 1 25 29416 1 1 6 TYR HH H 4.916 2.101 1.586 1.00 . A A . 6 TYR HH 1 1 25 29417 1 1 6 TYR N N 8.756 -3.300 1.590 1.00 . A A . 6 TYR N 1 1 25 29418 1 1 6 TYR O O 8.640 -5.387 3.835 1.00 . A A . 6 TYR O 1 1 25 29419 1 1 6 TYR OH O 5.722 2.275 2.078 1.00 . A A . 6 TYR OH 1 1 25 29420 1 1 7 GLU C C 11.024 -5.874 5.711 1.00 . A A . 7 GLU C 1 1 25 29421 1 1 7 GLU CA C 11.270 -6.056 4.212 1.00 . A A . 7 GLU CA 1 1 25 29422 1 1 7 GLU CB C 12.741 -6.321 3.923 1.00 . A A . 7 GLU CB 1 1 25 29423 1 1 7 GLU CD C 14.466 -6.928 2.202 1.00 . A A . 7 GLU CD 1 1 25 29424 1 1 7 GLU CG C 13.039 -6.444 2.424 1.00 . A A . 7 GLU CG 1 1 25 29425 1 1 7 GLU H H 11.485 -4.205 3.188 1.00 . A A . 7 GLU H 1 1 25 29426 1 1 7 GLU HA H 10.718 -6.912 3.841 1.00 . A A . 7 GLU HA 1 1 25 29427 1 1 7 GLU HB2 H 13.310 -5.503 4.341 1.00 . A A . 7 GLU HB2 1 1 25 29428 1 1 7 GLU HB3 H 13.040 -7.243 4.423 1.00 . A A . 7 GLU HB3 1 1 25 29429 1 1 7 GLU HG2 H 12.364 -7.167 1.967 1.00 . A A . 7 GLU HG2 1 1 25 29430 1 1 7 GLU HG3 H 12.912 -5.479 1.934 1.00 . A A . 7 GLU HG3 1 1 25 29431 1 1 7 GLU N N 10.804 -4.875 3.514 1.00 . A A . 7 GLU N 1 1 25 29432 1 1 7 GLU O O 11.261 -4.800 6.261 1.00 . A A . 7 GLU O 1 1 25 29433 1 1 7 GLU OE1 O 14.764 -8.034 2.702 1.00 . A A . 7 GLU OE1 1 1 25 29434 1 1 7 GLU OE2 O 15.229 -6.178 1.557 1.00 . A A . 7 GLU OE2 1 1 25 29435 1 1 8 ASN C C 10.109 -8.360 8.239 1.00 . A A . 8 ASN C 1 1 25 29436 1 1 8 ASN CA C 10.053 -6.921 7.735 1.00 . A A . 8 ASN CA 1 1 25 29437 1 1 8 ASN CB C 8.614 -6.400 7.789 1.00 . A A . 8 ASN CB 1 1 25 29438 1 1 8 ASN CG C 7.695 -7.348 7.031 1.00 . A A . 8 ASN CG 1 1 25 29439 1 1 8 ASN H H 10.341 -7.770 5.843 1.00 . A A . 8 ASN H 1 1 25 29440 1 1 8 ASN HA H 10.698 -6.290 8.350 1.00 . A A . 8 ASN HA 1 1 25 29441 1 1 8 ASN HB2 H 8.279 -6.340 8.824 1.00 . A A . 8 ASN HB2 1 1 25 29442 1 1 8 ASN HB3 H 8.566 -5.403 7.352 1.00 . A A . 8 ASN HB3 1 1 25 29443 1 1 8 ASN HD21 H 7.972 -6.335 5.286 1.00 . A A . 8 ASN HD21 1 1 25 29444 1 1 8 ASN HD22 H 6.946 -7.759 5.210 1.00 . A A . 8 ASN HD22 1 1 25 29445 1 1 8 ASN N N 10.515 -6.920 6.355 1.00 . A A . 8 ASN N 1 1 25 29446 1 1 8 ASN ND2 N 7.594 -7.176 5.717 1.00 . A A . 8 ASN ND2 1 1 25 29447 1 1 8 ASN O O 10.292 -9.279 7.438 1.00 . A A . 8 ASN O 1 1 25 29448 1 1 8 ASN OD1 O 7.164 -8.299 7.602 1.00 . A A . 8 ASN OD1 1 1 25 29449 1 1 9 LYS C C 9.072 -10.875 9.699 1.00 . A A . 9 LYS C 1 1 25 29450 1 1 9 LYS CA C 10.145 -9.880 10.154 1.00 . A A . 9 LYS CA 1 1 25 29451 1 1 9 LYS CB C 10.165 -9.736 11.685 1.00 . A A . 9 LYS CB 1 1 25 29452 1 1 9 LYS CD C 11.740 -11.727 12.250 1.00 . A A . 9 LYS CD 1 1 25 29453 1 1 9 LYS CE C 12.885 -10.872 12.818 1.00 . A A . 9 LYS CE 1 1 25 29454 1 1 9 LYS CG C 10.371 -11.057 12.451 1.00 . A A . 9 LYS CG 1 1 25 29455 1 1 9 LYS H H 9.730 -7.784 10.157 1.00 . A A . 9 LYS H 1 1 25 29456 1 1 9 LYS HA H 11.115 -10.256 9.827 1.00 . A A . 9 LYS HA 1 1 25 29457 1 1 9 LYS HB2 H 10.941 -9.025 11.967 1.00 . A A . 9 LYS HB2 1 1 25 29458 1 1 9 LYS HB3 H 9.207 -9.318 11.996 1.00 . A A . 9 LYS HB3 1 1 25 29459 1 1 9 LYS HD2 H 11.704 -12.684 12.775 1.00 . A A . 9 LYS HD2 1 1 25 29460 1 1 9 LYS HD3 H 11.899 -11.934 11.189 1.00 . A A . 9 LYS HD3 1 1 25 29461 1 1 9 LYS HE2 H 13.028 -9.991 12.188 1.00 . A A . 9 LYS HE2 1 1 25 29462 1 1 9 LYS HE3 H 12.621 -10.539 13.824 1.00 . A A . 9 LYS HE3 1 1 25 29463 1 1 9 LYS HG2 H 10.231 -10.852 13.514 1.00 . A A . 9 LYS HG2 1 1 25 29464 1 1 9 LYS HG3 H 9.593 -11.766 12.162 1.00 . A A . 9 LYS HG3 1 1 25 29465 1 1 9 LYS HZ1 H 14.060 -12.423 13.493 1.00 . A A . 9 LYS HZ1 1 1 25 29466 1 1 9 LYS HZ2 H 14.443 -11.922 11.971 1.00 . A A . 9 LYS HZ2 1 1 25 29467 1 1 9 LYS HZ3 H 14.881 -11.019 13.272 1.00 . A A . 9 LYS HZ3 1 1 25 29468 1 1 9 LYS N N 9.956 -8.567 9.551 1.00 . A A . 9 LYS N 1 1 25 29469 1 1 9 LYS NZ N 14.160 -11.617 12.891 1.00 . A A . 9 LYS NZ 1 1 25 29470 1 1 9 LYS O O 9.374 -12.051 9.508 1.00 . A A . 9 LYS O 1 1 25 29471 1 1 10 LYS C C 6.701 -11.882 7.942 1.00 . A A . 10 LYS C 1 1 25 29472 1 1 10 LYS CA C 6.696 -11.344 9.376 1.00 . A A . 10 LYS CA 1 1 25 29473 1 1 10 LYS CB C 5.380 -10.712 9.869 1.00 . A A . 10 LYS CB 1 1 25 29474 1 1 10 LYS CD C 3.690 -10.978 7.900 1.00 . A A . 10 LYS CD 1 1 25 29475 1 1 10 LYS CE C 3.259 -12.318 8.512 1.00 . A A . 10 LYS CE 1 1 25 29476 1 1 10 LYS CG C 4.470 -10.037 8.835 1.00 . A A . 10 LYS CG 1 1 25 29477 1 1 10 LYS H H 7.632 -9.443 9.679 1.00 . A A . 10 LYS H 1 1 25 29478 1 1 10 LYS HA H 6.828 -12.210 10.026 1.00 . A A . 10 LYS HA 1 1 25 29479 1 1 10 LYS HB2 H 4.810 -11.471 10.402 1.00 . A A . 10 LYS HB2 1 1 25 29480 1 1 10 LYS HB3 H 5.635 -9.956 10.614 1.00 . A A . 10 LYS HB3 1 1 25 29481 1 1 10 LYS HD2 H 2.796 -10.430 7.601 1.00 . A A . 10 LYS HD2 1 1 25 29482 1 1 10 LYS HD3 H 4.281 -11.171 7.003 1.00 . A A . 10 LYS HD3 1 1 25 29483 1 1 10 LYS HE2 H 4.130 -12.952 8.665 1.00 . A A . 10 LYS HE2 1 1 25 29484 1 1 10 LYS HE3 H 2.799 -12.146 9.485 1.00 . A A . 10 LYS HE3 1 1 25 29485 1 1 10 LYS HG2 H 3.737 -9.457 9.394 1.00 . A A . 10 LYS HG2 1 1 25 29486 1 1 10 LYS HG3 H 5.038 -9.315 8.249 1.00 . A A . 10 LYS HG3 1 1 25 29487 1 1 10 LYS HZ1 H 1.453 -12.554 7.516 1.00 . A A . 10 LYS HZ1 1 1 25 29488 1 1 10 LYS HZ2 H 2.737 -13.122 6.685 1.00 . A A . 10 LYS HZ2 1 1 25 29489 1 1 10 LYS HZ3 H 2.169 -13.989 7.915 1.00 . A A . 10 LYS HZ3 1 1 25 29490 1 1 10 LYS N N 7.814 -10.434 9.595 1.00 . A A . 10 LYS N 1 1 25 29491 1 1 10 LYS NZ N 2.330 -13.039 7.616 1.00 . A A . 10 LYS NZ 1 1 25 29492 1 1 10 LYS O O 6.382 -13.049 7.720 1.00 . A A . 10 LYS O 1 1 25 29493 1 1 11 GLY C C 7.171 -10.172 4.705 1.00 . A A . 11 GLY C 1 1 25 29494 1 1 11 GLY CA C 7.140 -11.423 5.568 1.00 . A A . 11 GLY CA 1 1 25 29495 1 1 11 GLY H H 7.284 -10.085 7.217 1.00 . A A . 11 GLY H 1 1 25 29496 1 1 11 GLY HA2 H 8.024 -12.040 5.402 1.00 . A A . 11 GLY HA2 1 1 25 29497 1 1 11 GLY HA3 H 6.248 -11.983 5.292 1.00 . A A . 11 GLY HA3 1 1 25 29498 1 1 11 GLY N N 7.063 -11.044 6.969 1.00 . A A . 11 GLY N 1 1 25 29499 1 1 11 GLY O O 6.235 -9.374 4.789 1.00 . A A . 11 GLY O 1 1 25 29500 1 1 12 ASN C C 7.136 -8.414 2.372 1.00 . A A . 12 ASN C 1 1 25 29501 1 1 12 ASN CA C 8.459 -8.860 3.007 1.00 . A A . 12 ASN CA 1 1 25 29502 1 1 12 ASN CB C 9.422 -9.237 1.866 1.00 . A A . 12 ASN CB 1 1 25 29503 1 1 12 ASN CG C 10.777 -9.813 2.276 1.00 . A A . 12 ASN CG 1 1 25 29504 1 1 12 ASN H H 8.951 -10.710 3.933 1.00 . A A . 12 ASN H 1 1 25 29505 1 1 12 ASN HA H 8.920 -8.037 3.562 1.00 . A A . 12 ASN HA 1 1 25 29506 1 1 12 ASN HB2 H 8.932 -9.964 1.220 1.00 . A A . 12 ASN HB2 1 1 25 29507 1 1 12 ASN HB3 H 9.615 -8.341 1.274 1.00 . A A . 12 ASN HB3 1 1 25 29508 1 1 12 ASN HD21 H 10.684 -9.076 4.179 1.00 . A A . 12 ASN HD21 1 1 25 29509 1 1 12 ASN HD22 H 12.164 -9.898 3.724 1.00 . A A . 12 ASN HD22 1 1 25 29510 1 1 12 ASN N N 8.238 -9.996 3.911 1.00 . A A . 12 ASN N 1 1 25 29511 1 1 12 ASN ND2 N 11.224 -9.596 3.511 1.00 . A A . 12 ASN ND2 1 1 25 29512 1 1 12 ASN O O 6.470 -9.226 1.725 1.00 . A A . 12 ASN O 1 1 25 29513 1 1 12 ASN OD1 O 11.423 -10.484 1.480 1.00 . A A . 12 ASN OD1 1 1 25 29514 1 1 13 VAL C C 6.019 -5.987 0.591 1.00 . A A . 13 VAL C 1 1 25 29515 1 1 13 VAL CA C 5.569 -6.598 1.902 1.00 . A A . 13 VAL CA 1 1 25 29516 1 1 13 VAL CB C 4.863 -5.540 2.758 1.00 . A A . 13 VAL CB 1 1 25 29517 1 1 13 VAL CG1 C 3.688 -4.949 1.966 1.00 . A A . 13 VAL CG1 1 1 25 29518 1 1 13 VAL CG2 C 4.329 -6.176 4.032 1.00 . A A . 13 VAL CG2 1 1 25 29519 1 1 13 VAL H H 7.354 -6.516 3.072 1.00 . A A . 13 VAL H 1 1 25 29520 1 1 13 VAL HA H 4.845 -7.390 1.701 1.00 . A A . 13 VAL HA 1 1 25 29521 1 1 13 VAL HB H 5.553 -4.745 3.032 1.00 . A A . 13 VAL HB 1 1 25 29522 1 1 13 VAL HG11 H 2.955 -4.522 2.645 1.00 . A A . 13 VAL HG11 1 1 25 29523 1 1 13 VAL HG12 H 4.039 -4.170 1.290 1.00 . A A . 13 VAL HG12 1 1 25 29524 1 1 13 VAL HG13 H 3.207 -5.731 1.383 1.00 . A A . 13 VAL HG13 1 1 25 29525 1 1 13 VAL HG21 H 3.574 -6.917 3.770 1.00 . A A . 13 VAL HG21 1 1 25 29526 1 1 13 VAL HG22 H 5.147 -6.641 4.577 1.00 . A A . 13 VAL HG22 1 1 25 29527 1 1 13 VAL HG23 H 3.886 -5.416 4.668 1.00 . A A . 13 VAL HG23 1 1 25 29528 1 1 13 VAL N N 6.747 -7.149 2.559 1.00 . A A . 13 VAL N 1 1 25 29529 1 1 13 VAL O O 6.574 -4.886 0.585 1.00 . A A . 13 VAL O 1 1 25 29530 1 1 14 THR C C 4.877 -5.177 -2.136 1.00 . A A . 14 THR C 1 1 25 29531 1 1 14 THR CA C 6.014 -6.148 -1.835 1.00 . A A . 14 THR CA 1 1 25 29532 1 1 14 THR CB C 6.077 -7.295 -2.849 1.00 . A A . 14 THR CB 1 1 25 29533 1 1 14 THR CG2 C 6.559 -6.811 -4.219 1.00 . A A . 14 THR CG2 1 1 25 29534 1 1 14 THR H H 5.345 -7.597 -0.441 1.00 . A A . 14 THR H 1 1 25 29535 1 1 14 THR HA H 6.958 -5.607 -1.857 1.00 . A A . 14 THR HA 1 1 25 29536 1 1 14 THR HB H 5.088 -7.744 -2.959 1.00 . A A . 14 THR HB 1 1 25 29537 1 1 14 THR HG1 H 7.656 -7.851 -1.848 1.00 . A A . 14 THR HG1 1 1 25 29538 1 1 14 THR HG21 H 7.533 -6.328 -4.132 1.00 . A A . 14 THR HG21 1 1 25 29539 1 1 14 THR HG22 H 6.644 -7.663 -4.893 1.00 . A A . 14 THR HG22 1 1 25 29540 1 1 14 THR HG23 H 5.844 -6.104 -4.645 1.00 . A A . 14 THR HG23 1 1 25 29541 1 1 14 THR N N 5.806 -6.699 -0.511 1.00 . A A . 14 THR N 1 1 25 29542 1 1 14 THR O O 3.725 -5.457 -1.801 1.00 . A A . 14 THR O 1 1 25 29543 1 1 14 THR OG1 O 6.969 -8.281 -2.366 1.00 . A A . 14 THR OG1 1 1 25 29544 1 1 15 PHE C C 4.660 -2.532 -4.602 1.00 . A A . 15 PHE C 1 1 25 29545 1 1 15 PHE CA C 4.162 -3.181 -3.317 1.00 . A A . 15 PHE CA 1 1 25 29546 1 1 15 PHE CB C 3.642 -2.165 -2.296 1.00 . A A . 15 PHE CB 1 1 25 29547 1 1 15 PHE CD1 C 5.580 -1.548 -0.812 1.00 . A A . 15 PHE CD1 1 1 25 29548 1 1 15 PHE CD2 C 4.620 0.163 -2.260 1.00 . A A . 15 PHE CD2 1 1 25 29549 1 1 15 PHE CE1 C 6.481 -0.604 -0.303 1.00 . A A . 15 PHE CE1 1 1 25 29550 1 1 15 PHE CE2 C 5.495 1.116 -1.717 1.00 . A A . 15 PHE CE2 1 1 25 29551 1 1 15 PHE CG C 4.645 -1.162 -1.785 1.00 . A A . 15 PHE CG 1 1 25 29552 1 1 15 PHE CZ C 6.389 0.740 -0.701 1.00 . A A . 15 PHE CZ 1 1 25 29553 1 1 15 PHE H H 6.153 -3.795 -2.954 1.00 . A A . 15 PHE H 1 1 25 29554 1 1 15 PHE HA H 3.300 -3.799 -3.581 1.00 . A A . 15 PHE HA 1 1 25 29555 1 1 15 PHE HB2 H 2.811 -1.619 -2.745 1.00 . A A . 15 PHE HB2 1 1 25 29556 1 1 15 PHE HB3 H 3.260 -2.713 -1.441 1.00 . A A . 15 PHE HB3 1 1 25 29557 1 1 15 PHE HD1 H 5.613 -2.567 -0.453 1.00 . A A . 15 PHE HD1 1 1 25 29558 1 1 15 PHE HD2 H 3.959 0.442 -3.069 1.00 . A A . 15 PHE HD2 1 1 25 29559 1 1 15 PHE HE1 H 7.211 -0.901 0.435 1.00 . A A . 15 PHE HE1 1 1 25 29560 1 1 15 PHE HE2 H 5.520 2.118 -2.120 1.00 . A A . 15 PHE HE2 1 1 25 29561 1 1 15 PHE HZ H 7.078 1.454 -0.291 1.00 . A A . 15 PHE HZ 1 1 25 29562 1 1 15 PHE N N 5.186 -4.041 -2.760 1.00 . A A . 15 PHE N 1 1 25 29563 1 1 15 PHE O O 5.597 -1.731 -4.614 1.00 . A A . 15 PHE O 1 1 25 29564 1 1 16 ASP C C 3.652 -0.564 -6.396 1.00 . A A . 16 ASP C 1 1 25 29565 1 1 16 ASP CA C 3.700 -2.031 -6.811 1.00 . A A . 16 ASP CA 1 1 25 29566 1 1 16 ASP CB C 2.313 -2.438 -7.302 1.00 . A A . 16 ASP CB 1 1 25 29567 1 1 16 ASP CG C 2.326 -3.820 -7.921 1.00 . A A . 16 ASP CG 1 1 25 29568 1 1 16 ASP H H 3.405 -3.727 -5.676 1.00 . A A . 16 ASP H 1 1 25 29569 1 1 16 ASP HA H 4.435 -2.192 -7.602 1.00 . A A . 16 ASP HA 1 1 25 29570 1 1 16 ASP HB2 H 1.636 -2.464 -6.450 1.00 . A A . 16 ASP HB2 1 1 25 29571 1 1 16 ASP HB3 H 1.958 -1.701 -8.008 1.00 . A A . 16 ASP HB3 1 1 25 29572 1 1 16 ASP N N 3.992 -2.894 -5.691 1.00 . A A . 16 ASP N 1 1 25 29573 1 1 16 ASP O O 2.876 -0.188 -5.517 1.00 . A A . 16 ASP O 1 1 25 29574 1 1 16 ASP OD1 O 2.576 -4.757 -7.131 1.00 . A A . 16 ASP OD1 1 1 25 29575 1 1 16 ASP OD2 O 2.111 -3.894 -9.148 1.00 . A A . 16 ASP OD2 1 1 25 29576 1 1 17 HIS C C 3.842 2.267 -8.246 1.00 . A A . 17 HIS C 1 1 25 29577 1 1 17 HIS CA C 4.424 1.702 -6.949 1.00 . A A . 17 HIS CA 1 1 25 29578 1 1 17 HIS CB C 5.845 2.205 -6.662 1.00 . A A . 17 HIS CB 1 1 25 29579 1 1 17 HIS CD2 C 5.140 4.409 -5.581 1.00 . A A . 17 HIS CD2 1 1 25 29580 1 1 17 HIS CE1 C 6.392 5.805 -6.716 1.00 . A A . 17 HIS CE1 1 1 25 29581 1 1 17 HIS CG C 5.913 3.687 -6.447 1.00 . A A . 17 HIS CG 1 1 25 29582 1 1 17 HIS H H 5.062 -0.132 -7.773 1.00 . A A . 17 HIS H 1 1 25 29583 1 1 17 HIS HA H 3.777 2.004 -6.123 1.00 . A A . 17 HIS HA 1 1 25 29584 1 1 17 HIS HB2 H 6.241 1.704 -5.782 1.00 . A A . 17 HIS HB2 1 1 25 29585 1 1 17 HIS HB3 H 6.503 1.963 -7.490 1.00 . A A . 17 HIS HB3 1 1 25 29586 1 1 17 HIS HD1 H 7.421 4.305 -7.814 1.00 . A A . 17 HIS HD1 1 1 25 29587 1 1 17 HIS HD2 H 4.411 4.018 -4.892 1.00 . A A . 17 HIS HD2 1 1 25 29588 1 1 17 HIS HE1 H 6.835 6.723 -7.066 1.00 . A A . 17 HIS HE1 1 1 25 29589 1 1 17 HIS N N 4.451 0.261 -7.067 1.00 . A A . 17 HIS N 1 1 25 29590 1 1 17 HIS ND1 N 6.705 4.567 -7.144 1.00 . A A . 17 HIS ND1 1 1 25 29591 1 1 17 HIS NE2 N 5.449 5.755 -5.762 1.00 . A A . 17 HIS NE2 1 1 25 29592 1 1 17 HIS O O 2.715 2.752 -8.267 1.00 . A A . 17 HIS O 1 1 25 29593 1 1 18 LYS C C 2.871 2.127 -11.098 1.00 . A A . 18 LYS C 1 1 25 29594 1 1 18 LYS CA C 4.233 2.663 -10.659 1.00 . A A . 18 LYS CA 1 1 25 29595 1 1 18 LYS CB C 5.340 2.297 -11.655 1.00 . A A . 18 LYS CB 1 1 25 29596 1 1 18 LYS CD C 6.120 2.333 -14.048 1.00 . A A . 18 LYS CD 1 1 25 29597 1 1 18 LYS CE C 5.710 2.147 -15.518 1.00 . A A . 18 LYS CE 1 1 25 29598 1 1 18 LYS CG C 4.908 2.410 -13.115 1.00 . A A . 18 LYS CG 1 1 25 29599 1 1 18 LYS H H 5.448 1.614 -9.259 1.00 . A A . 18 LYS H 1 1 25 29600 1 1 18 LYS HA H 4.177 3.751 -10.611 1.00 . A A . 18 LYS HA 1 1 25 29601 1 1 18 LYS HB2 H 6.183 2.968 -11.489 1.00 . A A . 18 LYS HB2 1 1 25 29602 1 1 18 LYS HB3 H 5.637 1.266 -11.478 1.00 . A A . 18 LYS HB3 1 1 25 29603 1 1 18 LYS HD2 H 6.725 3.234 -13.923 1.00 . A A . 18 LYS HD2 1 1 25 29604 1 1 18 LYS HD3 H 6.720 1.472 -13.749 1.00 . A A . 18 LYS HD3 1 1 25 29605 1 1 18 LYS HE2 H 6.595 2.234 -16.150 1.00 . A A . 18 LYS HE2 1 1 25 29606 1 1 18 LYS HE3 H 5.295 1.145 -15.642 1.00 . A A . 18 LYS HE3 1 1 25 29607 1 1 18 LYS HG2 H 4.244 1.576 -13.338 1.00 . A A . 18 LYS HG2 1 1 25 29608 1 1 18 LYS HG3 H 4.386 3.355 -13.242 1.00 . A A . 18 LYS HG3 1 1 25 29609 1 1 18 LYS HZ1 H 3.837 2.973 -15.416 1.00 . A A . 18 LYS HZ1 1 1 25 29610 1 1 18 LYS HZ2 H 4.990 4.072 -15.828 1.00 . A A . 18 LYS HZ2 1 1 25 29611 1 1 18 LYS HZ3 H 4.430 2.961 -16.919 1.00 . A A . 18 LYS HZ3 1 1 25 29612 1 1 18 LYS N N 4.594 2.153 -9.344 1.00 . A A . 18 LYS N 1 1 25 29613 1 1 18 LYS NZ N 4.689 3.119 -15.956 1.00 . A A . 18 LYS NZ 1 1 25 29614 1 1 18 LYS O O 2.006 2.887 -11.517 1.00 . A A . 18 LYS O 1 1 25 29615 1 1 19 ALA C C 0.242 0.854 -10.622 1.00 . A A . 19 ALA C 1 1 25 29616 1 1 19 ALA CA C 1.410 0.199 -11.368 1.00 . A A . 19 ALA CA 1 1 25 29617 1 1 19 ALA CB C 1.474 -1.281 -11.050 1.00 . A A . 19 ALA CB 1 1 25 29618 1 1 19 ALA H H 3.458 0.235 -10.732 1.00 . A A . 19 ALA H 1 1 25 29619 1 1 19 ALA HA H 1.252 0.303 -12.442 1.00 . A A . 19 ALA HA 1 1 25 29620 1 1 19 ALA HB1 H 2.234 -1.769 -11.657 1.00 . A A . 19 ALA HB1 1 1 25 29621 1 1 19 ALA HB2 H 1.739 -1.354 -10.006 1.00 . A A . 19 ALA HB2 1 1 25 29622 1 1 19 ALA HB3 H 0.502 -1.741 -11.216 1.00 . A A . 19 ALA HB3 1 1 25 29623 1 1 19 ALA N N 2.681 0.814 -11.015 1.00 . A A . 19 ALA N 1 1 25 29624 1 1 19 ALA O O -0.674 1.367 -11.259 1.00 . A A . 19 ALA O 1 1 25 29625 1 1 20 HIS C C -0.813 3.042 -9.018 1.00 . A A . 20 HIS C 1 1 25 29626 1 1 20 HIS CA C -0.718 1.605 -8.495 1.00 . A A . 20 HIS CA 1 1 25 29627 1 1 20 HIS CB C -0.369 1.590 -6.994 1.00 . A A . 20 HIS CB 1 1 25 29628 1 1 20 HIS CD2 C -1.619 0.272 -5.129 1.00 . A A . 20 HIS CD2 1 1 25 29629 1 1 20 HIS CE1 C -1.027 -1.751 -5.685 1.00 . A A . 20 HIS CE1 1 1 25 29630 1 1 20 HIS CG C -0.818 0.351 -6.249 1.00 . A A . 20 HIS CG 1 1 25 29631 1 1 20 HIS H H 1.104 0.536 -8.811 1.00 . A A . 20 HIS H 1 1 25 29632 1 1 20 HIS HA H -1.692 1.132 -8.627 1.00 . A A . 20 HIS HA 1 1 25 29633 1 1 20 HIS HB2 H 0.708 1.707 -6.863 1.00 . A A . 20 HIS HB2 1 1 25 29634 1 1 20 HIS HB3 H -0.841 2.450 -6.529 1.00 . A A . 20 HIS HB3 1 1 25 29635 1 1 20 HIS HD1 H 0.098 -1.215 -7.369 1.00 . A A . 20 HIS HD1 1 1 25 29636 1 1 20 HIS HD2 H -2.094 1.092 -4.620 1.00 . A A . 20 HIS HD2 1 1 25 29637 1 1 20 HIS HE1 H -0.919 -2.819 -5.733 1.00 . A A . 20 HIS HE1 1 1 25 29638 1 1 20 HIS N N 0.282 0.879 -9.282 1.00 . A A . 20 HIS N 1 1 25 29639 1 1 20 HIS ND1 N -0.467 -0.929 -6.583 1.00 . A A . 20 HIS ND1 1 1 25 29640 1 1 20 HIS NE2 N -1.745 -1.078 -4.768 1.00 . A A . 20 HIS NE2 1 1 25 29641 1 1 20 HIS O O -1.896 3.605 -9.139 1.00 . A A . 20 HIS O 1 1 25 29642 1 1 21 ALA C C -0.444 5.296 -11.019 1.00 . A A . 21 ALA C 1 1 25 29643 1 1 21 ALA CA C 0.405 5.022 -9.777 1.00 . A A . 21 ALA CA 1 1 25 29644 1 1 21 ALA CB C 1.860 5.453 -9.966 1.00 . A A . 21 ALA CB 1 1 25 29645 1 1 21 ALA H H 1.181 3.068 -9.296 1.00 . A A . 21 ALA H 1 1 25 29646 1 1 21 ALA HA H -0.008 5.632 -8.983 1.00 . A A . 21 ALA HA 1 1 25 29647 1 1 21 ALA HB1 H 2.483 5.101 -9.145 1.00 . A A . 21 ALA HB1 1 1 25 29648 1 1 21 ALA HB2 H 2.267 5.130 -10.919 1.00 . A A . 21 ALA HB2 1 1 25 29649 1 1 21 ALA HB3 H 1.884 6.528 -9.970 1.00 . A A . 21 ALA HB3 1 1 25 29650 1 1 21 ALA N N 0.333 3.632 -9.349 1.00 . A A . 21 ALA N 1 1 25 29651 1 1 21 ALA O O -1.207 6.257 -11.046 1.00 . A A . 21 ALA O 1 1 25 29652 1 1 22 GLU C C -2.470 4.140 -13.180 1.00 . A A . 22 GLU C 1 1 25 29653 1 1 22 GLU CA C -1.024 4.613 -13.306 1.00 . A A . 22 GLU CA 1 1 25 29654 1 1 22 GLU CB C -0.258 3.957 -14.465 1.00 . A A . 22 GLU CB 1 1 25 29655 1 1 22 GLU CD C 1.214 2.076 -15.241 1.00 . A A . 22 GLU CD 1 1 25 29656 1 1 22 GLU CG C 0.076 2.469 -14.311 1.00 . A A . 22 GLU CG 1 1 25 29657 1 1 22 GLU H H 0.305 3.673 -11.899 1.00 . A A . 22 GLU H 1 1 25 29658 1 1 22 GLU HA H -1.065 5.679 -13.541 1.00 . A A . 22 GLU HA 1 1 25 29659 1 1 22 GLU HB2 H -0.841 4.069 -15.380 1.00 . A A . 22 GLU HB2 1 1 25 29660 1 1 22 GLU HB3 H 0.677 4.503 -14.579 1.00 . A A . 22 GLU HB3 1 1 25 29661 1 1 22 GLU HG2 H 0.416 2.261 -13.306 1.00 . A A . 22 GLU HG2 1 1 25 29662 1 1 22 GLU HG3 H -0.803 1.859 -14.519 1.00 . A A . 22 GLU HG3 1 1 25 29663 1 1 22 GLU N N -0.310 4.460 -12.044 1.00 . A A . 22 GLU N 1 1 25 29664 1 1 22 GLU O O -3.382 4.815 -13.650 1.00 . A A . 22 GLU O 1 1 25 29665 1 1 22 GLU OE1 O 2.342 2.553 -14.984 1.00 . A A . 22 GLU OE1 1 1 25 29666 1 1 22 GLU OE2 O 0.955 1.335 -16.209 1.00 . A A . 22 GLU OE2 1 1 25 29667 1 1 23 LYS C C -4.855 3.558 -11.484 1.00 . A A . 23 LYS C 1 1 25 29668 1 1 23 LYS CA C -4.004 2.498 -12.188 1.00 . A A . 23 LYS CA 1 1 25 29669 1 1 23 LYS CB C -3.814 1.285 -11.273 1.00 . A A . 23 LYS CB 1 1 25 29670 1 1 23 LYS CD C -4.218 -0.671 -12.776 1.00 . A A . 23 LYS CD 1 1 25 29671 1 1 23 LYS CE C -3.675 -2.025 -13.249 1.00 . A A . 23 LYS CE 1 1 25 29672 1 1 23 LYS CG C -3.160 0.101 -11.997 1.00 . A A . 23 LYS CG 1 1 25 29673 1 1 23 LYS H H -1.904 2.431 -12.213 1.00 . A A . 23 LYS H 1 1 25 29674 1 1 23 LYS HA H -4.521 2.200 -13.100 1.00 . A A . 23 LYS HA 1 1 25 29675 1 1 23 LYS HB2 H -3.162 1.575 -10.451 1.00 . A A . 23 LYS HB2 1 1 25 29676 1 1 23 LYS HB3 H -4.770 0.985 -10.841 1.00 . A A . 23 LYS HB3 1 1 25 29677 1 1 23 LYS HD2 H -5.053 -0.826 -12.093 1.00 . A A . 23 LYS HD2 1 1 25 29678 1 1 23 LYS HD3 H -4.535 -0.051 -13.615 1.00 . A A . 23 LYS HD3 1 1 25 29679 1 1 23 LYS HE2 H -3.097 -1.894 -14.166 1.00 . A A . 23 LYS HE2 1 1 25 29680 1 1 23 LYS HE3 H -3.020 -2.441 -12.480 1.00 . A A . 23 LYS HE3 1 1 25 29681 1 1 23 LYS HG2 H -2.372 0.426 -12.682 1.00 . A A . 23 LYS HG2 1 1 25 29682 1 1 23 LYS HG3 H -2.733 -0.546 -11.227 1.00 . A A . 23 LYS HG3 1 1 25 29683 1 1 23 LYS HZ1 H -4.397 -3.893 -13.735 1.00 . A A . 23 LYS HZ1 1 1 25 29684 1 1 23 LYS HZ2 H -5.224 -3.146 -12.549 1.00 . A A . 23 LYS HZ2 1 1 25 29685 1 1 23 LYS HZ3 H -5.447 -2.665 -14.111 1.00 . A A . 23 LYS HZ3 1 1 25 29686 1 1 23 LYS N N -2.687 2.995 -12.528 1.00 . A A . 23 LYS N 1 1 25 29687 1 1 23 LYS NZ N -4.765 -2.998 -13.450 1.00 . A A . 23 LYS NZ 1 1 25 29688 1 1 23 LYS O O -6.028 3.719 -11.814 1.00 . A A . 23 LYS O 1 1 25 29689 1 1 24 LEU C C -4.855 6.499 -9.702 1.00 . A A . 24 LEU C 1 1 25 29690 1 1 24 LEU CA C -5.051 4.995 -9.504 1.00 . A A . 24 LEU CA 1 1 25 29691 1 1 24 LEU CB C -4.647 4.571 -8.085 1.00 . A A . 24 LEU CB 1 1 25 29692 1 1 24 LEU CD1 C -4.001 2.717 -6.534 1.00 . A A . 24 LEU CD1 1 1 25 29693 1 1 24 LEU CD2 C -6.126 2.506 -7.921 1.00 . A A . 24 LEU CD2 1 1 25 29694 1 1 24 LEU CG C -4.694 3.048 -7.858 1.00 . A A . 24 LEU CG 1 1 25 29695 1 1 24 LEU H H -3.312 4.049 -10.251 1.00 . A A . 24 LEU H 1 1 25 29696 1 1 24 LEU HA H -6.117 4.790 -9.611 1.00 . A A . 24 LEU HA 1 1 25 29697 1 1 24 LEU HB2 H -3.636 4.929 -7.888 1.00 . A A . 24 LEU HB2 1 1 25 29698 1 1 24 LEU HB3 H -5.318 5.053 -7.374 1.00 . A A . 24 LEU HB3 1 1 25 29699 1 1 24 LEU HD11 H -4.091 1.654 -6.314 1.00 . A A . 24 LEU HD11 1 1 25 29700 1 1 24 LEU HD12 H -2.949 2.970 -6.622 1.00 . A A . 24 LEU HD12 1 1 25 29701 1 1 24 LEU HD13 H -4.407 3.305 -5.717 1.00 . A A . 24 LEU HD13 1 1 25 29702 1 1 24 LEU HD21 H -6.484 2.539 -8.951 1.00 . A A . 24 LEU HD21 1 1 25 29703 1 1 24 LEU HD22 H -6.144 1.470 -7.585 1.00 . A A . 24 LEU HD22 1 1 25 29704 1 1 24 LEU HD23 H -6.795 3.103 -7.304 1.00 . A A . 24 LEU HD23 1 1 25 29705 1 1 24 LEU HG H -4.125 2.523 -8.621 1.00 . A A . 24 LEU HG 1 1 25 29706 1 1 24 LEU N N -4.288 4.225 -10.474 1.00 . A A . 24 LEU N 1 1 25 29707 1 1 24 LEU O O -5.817 7.257 -9.600 1.00 . A A . 24 LEU O 1 1 25 29708 1 1 25 GLY C C -2.045 8.339 -8.855 1.00 . A A . 25 GLY C 1 1 25 29709 1 1 25 GLY CA C -3.201 8.323 -9.847 1.00 . A A . 25 GLY CA 1 1 25 29710 1 1 25 GLY H H -2.811 6.322 -9.955 1.00 . A A . 25 GLY H 1 1 25 29711 1 1 25 GLY HA2 H -2.856 8.661 -10.826 1.00 . A A . 25 GLY HA2 1 1 25 29712 1 1 25 GLY HA3 H -3.999 8.975 -9.491 1.00 . A A . 25 GLY HA3 1 1 25 29713 1 1 25 GLY N N -3.617 6.942 -9.934 1.00 . A A . 25 GLY N 1 1 25 29714 1 1 25 GLY O O -1.712 7.313 -8.265 1.00 . A A . 25 GLY O 1 1 25 29715 1 1 26 CYS C C -1.361 9.989 -6.276 1.00 . A A . 26 CYS C 1 1 25 29716 1 1 26 CYS CA C -0.535 9.701 -7.516 1.00 . A A . 26 CYS CA 1 1 25 29717 1 1 26 CYS CB C 0.424 10.832 -7.783 1.00 . A A . 26 CYS CB 1 1 25 29718 1 1 26 CYS H H -1.831 10.306 -9.105 1.00 . A A . 26 CYS H 1 1 25 29719 1 1 26 CYS HA H 0.037 8.801 -7.324 1.00 . A A . 26 CYS HA 1 1 25 29720 1 1 26 CYS HB2 H -0.108 11.783 -7.736 1.00 . A A . 26 CYS HB2 1 1 25 29721 1 1 26 CYS HB3 H 1.203 10.835 -7.019 1.00 . A A . 26 CYS HB3 1 1 25 29722 1 1 26 CYS N N -1.453 9.503 -8.632 1.00 . A A . 26 CYS N 1 1 25 29723 1 1 26 CYS O O -1.080 9.486 -5.193 1.00 . A A . 26 CYS O 1 1 25 29724 1 1 26 CYS SG S 1.191 10.726 -9.423 1.00 . A A . 26 CYS SG 1 1 25 29725 1 1 27 ASP C C -3.828 10.484 -4.543 1.00 . A A . 27 ASP C 1 1 25 29726 1 1 27 ASP CA C -3.199 11.504 -5.482 1.00 . A A . 27 ASP CA 1 1 25 29727 1 1 27 ASP CB C -4.289 12.313 -6.207 1.00 . A A . 27 ASP CB 1 1 25 29728 1 1 27 ASP CG C -3.790 13.003 -7.476 1.00 . A A . 27 ASP CG 1 1 25 29729 1 1 27 ASP H H -2.645 10.988 -7.450 1.00 . A A . 27 ASP H 1 1 25 29730 1 1 27 ASP HA H -2.557 12.183 -4.918 1.00 . A A . 27 ASP HA 1 1 25 29731 1 1 27 ASP HB2 H -5.104 11.654 -6.503 1.00 . A A . 27 ASP HB2 1 1 25 29732 1 1 27 ASP HB3 H -4.687 13.055 -5.513 1.00 . A A . 27 ASP HB3 1 1 25 29733 1 1 27 ASP N N -2.396 10.801 -6.476 1.00 . A A . 27 ASP N 1 1 25 29734 1 1 27 ASP O O -3.896 10.673 -3.333 1.00 . A A . 27 ASP O 1 1 25 29735 1 1 27 ASP OD1 O -3.403 12.247 -8.402 1.00 . A A . 27 ASP OD1 1 1 25 29736 1 1 27 ASP OD2 O -3.786 14.251 -7.490 1.00 . A A . 27 ASP OD2 1 1 25 29737 1 1 28 ALA C C -3.836 7.809 -3.279 1.00 . A A . 28 ALA C 1 1 25 29738 1 1 28 ALA CA C -4.503 8.060 -4.636 1.00 . A A . 28 ALA CA 1 1 25 29739 1 1 28 ALA CB C -4.000 7.073 -5.693 1.00 . A A . 28 ALA CB 1 1 25 29740 1 1 28 ALA H H -4.083 9.415 -6.167 1.00 . A A . 28 ALA H 1 1 25 29741 1 1 28 ALA HA H -5.582 7.945 -4.524 1.00 . A A . 28 ALA HA 1 1 25 29742 1 1 28 ALA HB1 H -4.546 7.228 -6.625 1.00 . A A . 28 ALA HB1 1 1 25 29743 1 1 28 ALA HB2 H -2.947 7.268 -5.902 1.00 . A A . 28 ALA HB2 1 1 25 29744 1 1 28 ALA HB3 H -4.128 6.047 -5.350 1.00 . A A . 28 ALA HB3 1 1 25 29745 1 1 28 ALA N N -4.223 9.376 -5.173 1.00 . A A . 28 ALA N 1 1 25 29746 1 1 28 ALA O O -4.491 7.333 -2.355 1.00 . A A . 28 ALA O 1 1 25 29747 1 1 29 CYS C C -1.103 9.317 -1.579 1.00 . A A . 29 CYS C 1 1 25 29748 1 1 29 CYS CA C -1.750 7.979 -1.964 1.00 . A A . 29 CYS CA 1 1 25 29749 1 1 29 CYS CB C -0.692 6.928 -2.179 1.00 . A A . 29 CYS CB 1 1 25 29750 1 1 29 CYS H H -2.088 8.479 -4.014 1.00 . A A . 29 CYS H 1 1 25 29751 1 1 29 CYS HA H -2.383 7.664 -1.131 1.00 . A A . 29 CYS HA 1 1 25 29752 1 1 29 CYS HB2 H 0.048 7.311 -2.882 1.00 . A A . 29 CYS HB2 1 1 25 29753 1 1 29 CYS HB3 H -0.207 6.709 -1.229 1.00 . A A . 29 CYS HB3 1 1 25 29754 1 1 29 CYS N N -2.540 8.113 -3.183 1.00 . A A . 29 CYS N 1 1 25 29755 1 1 29 CYS O O -1.079 9.710 -0.416 1.00 . A A . 29 CYS O 1 1 25 29756 1 1 29 CYS SG S -1.392 5.385 -2.839 1.00 . A A . 29 CYS SG 1 1 25 29757 1 1 30 HIS C C -0.572 12.431 -2.317 1.00 . A A . 30 HIS C 1 1 25 29758 1 1 30 HIS CA C 0.296 11.189 -2.342 1.00 . A A . 30 HIS CA 1 1 25 29759 1 1 30 HIS CB C 1.334 11.285 -3.450 1.00 . A A . 30 HIS CB 1 1 25 29760 1 1 30 HIS CD2 C 2.607 9.203 -4.148 1.00 . A A . 30 HIS CD2 1 1 25 29761 1 1 30 HIS CE1 C 4.311 9.323 -2.784 1.00 . A A . 30 HIS CE1 1 1 25 29762 1 1 30 HIS CG C 2.392 10.243 -3.302 1.00 . A A . 30 HIS CG 1 1 25 29763 1 1 30 HIS H H -0.634 9.690 -3.506 1.00 . A A . 30 HIS H 1 1 25 29764 1 1 30 HIS HA H 0.821 11.119 -1.388 1.00 . A A . 30 HIS HA 1 1 25 29765 1 1 30 HIS HB2 H 0.842 11.202 -4.419 1.00 . A A . 30 HIS HB2 1 1 25 29766 1 1 30 HIS HB3 H 1.795 12.270 -3.405 1.00 . A A . 30 HIS HB3 1 1 25 29767 1 1 30 HIS HD1 H 3.578 11.003 -1.723 1.00 . A A . 30 HIS HD1 1 1 25 29768 1 1 30 HIS HD2 H 2.001 8.901 -4.979 1.00 . A A . 30 HIS HD2 1 1 25 29769 1 1 30 HIS HE1 H 5.276 9.114 -2.355 1.00 . A A . 30 HIS HE1 1 1 25 29770 1 1 30 HIS N N -0.517 10.009 -2.555 1.00 . A A . 30 HIS N 1 1 25 29771 1 1 30 HIS ND1 N 3.454 10.303 -2.436 1.00 . A A . 30 HIS ND1 1 1 25 29772 1 1 30 HIS NE2 N 3.827 8.630 -3.818 1.00 . A A . 30 HIS NE2 1 1 25 29773 1 1 30 HIS O O -0.583 13.208 -3.275 1.00 . A A . 30 HIS O 1 1 25 29774 1 1 31 GLU C C -1.527 15.066 -1.255 1.00 . A A . 31 GLU C 1 1 25 29775 1 1 31 GLU CA C -2.187 13.717 -0.997 1.00 . A A . 31 GLU CA 1 1 25 29776 1 1 31 GLU CB C -2.836 13.636 0.382 1.00 . A A . 31 GLU CB 1 1 25 29777 1 1 31 GLU CD C -4.500 12.217 1.621 1.00 . A A . 31 GLU CD 1 1 25 29778 1 1 31 GLU CG C -3.992 12.648 0.253 1.00 . A A . 31 GLU CG 1 1 25 29779 1 1 31 GLU H H -1.195 11.877 -0.501 1.00 . A A . 31 GLU H 1 1 25 29780 1 1 31 GLU HA H -2.985 13.595 -1.734 1.00 . A A . 31 GLU HA 1 1 25 29781 1 1 31 GLU HB2 H -2.114 13.298 1.128 1.00 . A A . 31 GLU HB2 1 1 25 29782 1 1 31 GLU HB3 H -3.237 14.603 0.686 1.00 . A A . 31 GLU HB3 1 1 25 29783 1 1 31 GLU HG2 H -4.807 13.120 -0.294 1.00 . A A . 31 GLU HG2 1 1 25 29784 1 1 31 GLU HG3 H -3.654 11.805 -0.348 1.00 . A A . 31 GLU HG3 1 1 25 29785 1 1 31 GLU N N -1.266 12.612 -1.198 1.00 . A A . 31 GLU N 1 1 25 29786 1 1 31 GLU O O -0.812 15.616 -0.422 1.00 . A A . 31 GLU O 1 1 25 29787 1 1 31 GLU OE1 O -3.904 11.273 2.182 1.00 . A A . 31 GLU OE1 1 1 25 29788 1 1 31 GLU OE2 O -5.453 12.869 2.099 1.00 . A A . 31 GLU OE2 1 1 25 29789 1 1 32 GLY C C 0.100 17.049 -3.019 1.00 . A A . 32 GLY C 1 1 25 29790 1 1 32 GLY CA C -1.417 16.906 -2.889 1.00 . A A . 32 GLY CA 1 1 25 29791 1 1 32 GLY H H -2.387 14.988 -3.030 1.00 . A A . 32 GLY H 1 1 25 29792 1 1 32 GLY HA2 H -1.868 17.096 -3.864 1.00 . A A . 32 GLY HA2 1 1 25 29793 1 1 32 GLY HA3 H -1.790 17.652 -2.185 1.00 . A A . 32 GLY HA3 1 1 25 29794 1 1 32 GLY N N -1.824 15.588 -2.440 1.00 . A A . 32 GLY N 1 1 25 29795 1 1 32 GLY O O 0.653 18.029 -2.524 1.00 . A A . 32 GLY O 1 1 25 29796 1 1 33 THR C C 2.951 15.088 -3.461 1.00 . A A . 33 THR C 1 1 25 29797 1 1 33 THR CA C 2.134 16.139 -4.227 1.00 . A A . 33 THR CA 1 1 25 29798 1 1 33 THR CB C 2.822 17.522 -4.161 1.00 . A A . 33 THR CB 1 1 25 29799 1 1 33 THR CG2 C 4.158 17.559 -4.909 1.00 . A A . 33 THR CG2 1 1 25 29800 1 1 33 THR H H 0.181 15.324 -4.023 1.00 . A A . 33 THR H 1 1 25 29801 1 1 33 THR HA H 2.069 15.868 -5.279 1.00 . A A . 33 THR HA 1 1 25 29802 1 1 33 THR HB H 3.025 17.779 -3.118 1.00 . A A . 33 THR HB 1 1 25 29803 1 1 33 THR HG1 H 1.356 18.765 -4.083 1.00 . A A . 33 THR HG1 1 1 25 29804 1 1 33 THR HG21 H 4.000 17.358 -5.968 1.00 . A A . 33 THR HG21 1 1 25 29805 1 1 33 THR HG22 H 4.594 18.553 -4.808 1.00 . A A . 33 THR HG22 1 1 25 29806 1 1 33 THR HG23 H 4.860 16.835 -4.493 1.00 . A A . 33 THR HG23 1 1 25 29807 1 1 33 THR N N 0.736 16.130 -3.759 1.00 . A A . 33 THR N 1 1 25 29808 1 1 33 THR O O 2.868 15.031 -2.236 1.00 . A A . 33 THR O 1 1 25 29809 1 1 33 THR OG1 O 2.014 18.520 -4.748 1.00 . A A . 33 THR OG1 1 1 25 29810 1 1 34 PRO C C 5.793 13.830 -2.835 1.00 . A A . 34 PRO C 1 1 25 29811 1 1 34 PRO CA C 4.549 13.227 -3.482 1.00 . A A . 34 PRO CA 1 1 25 29812 1 1 34 PRO CB C 4.931 12.224 -4.567 1.00 . A A . 34 PRO CB 1 1 25 29813 1 1 34 PRO CD C 3.855 14.104 -5.585 1.00 . A A . 34 PRO CD 1 1 25 29814 1 1 34 PRO CG C 4.986 13.098 -5.803 1.00 . A A . 34 PRO CG 1 1 25 29815 1 1 34 PRO HA H 3.969 12.725 -2.722 1.00 . A A . 34 PRO HA 1 1 25 29816 1 1 34 PRO HB2 H 5.873 11.717 -4.363 1.00 . A A . 34 PRO HB2 1 1 25 29817 1 1 34 PRO HB3 H 4.141 11.497 -4.728 1.00 . A A . 34 PRO HB3 1 1 25 29818 1 1 34 PRO HD2 H 4.105 15.042 -6.078 1.00 . A A . 34 PRO HD2 1 1 25 29819 1 1 34 PRO HD3 H 2.926 13.701 -5.991 1.00 . A A . 34 PRO HD3 1 1 25 29820 1 1 34 PRO HG2 H 5.947 13.606 -5.812 1.00 . A A . 34 PRO HG2 1 1 25 29821 1 1 34 PRO HG3 H 4.832 12.499 -6.691 1.00 . A A . 34 PRO HG3 1 1 25 29822 1 1 34 PRO N N 3.735 14.234 -4.143 1.00 . A A . 34 PRO N 1 1 25 29823 1 1 34 PRO O O 6.360 14.798 -3.337 1.00 . A A . 34 PRO O 1 1 25 29824 1 1 35 ALA C C 7.849 12.318 -0.204 1.00 . A A . 35 ALA C 1 1 25 29825 1 1 35 ALA CA C 7.476 13.536 -1.049 1.00 . A A . 35 ALA CA 1 1 25 29826 1 1 35 ALA CB C 7.273 14.797 -0.200 1.00 . A A . 35 ALA CB 1 1 25 29827 1 1 35 ALA H H 5.711 12.434 -1.357 1.00 . A A . 35 ALA H 1 1 25 29828 1 1 35 ALA HA H 8.272 13.720 -1.773 1.00 . A A . 35 ALA HA 1 1 25 29829 1 1 35 ALA HB1 H 7.016 15.640 -0.843 1.00 . A A . 35 ALA HB1 1 1 25 29830 1 1 35 ALA HB2 H 6.467 14.638 0.517 1.00 . A A . 35 ALA HB2 1 1 25 29831 1 1 35 ALA HB3 H 8.191 15.032 0.338 1.00 . A A . 35 ALA HB3 1 1 25 29832 1 1 35 ALA N N 6.239 13.209 -1.740 1.00 . A A . 35 ALA N 1 1 25 29833 1 1 35 ALA O O 7.985 12.416 1.013 1.00 . A A . 35 ALA O 1 1 25 29834 1 1 36 LYS C C 6.432 9.660 0.361 1.00 . A A . 36 LYS C 1 1 25 29835 1 1 36 LYS CA C 7.835 9.843 -0.236 1.00 . A A . 36 LYS CA 1 1 25 29836 1 1 36 LYS CB C 8.952 9.610 0.801 1.00 . A A . 36 LYS CB 1 1 25 29837 1 1 36 LYS CD C 11.472 9.105 0.812 1.00 . A A . 36 LYS CD 1 1 25 29838 1 1 36 LYS CE C 11.219 7.604 0.585 1.00 . A A . 36 LYS CE 1 1 25 29839 1 1 36 LYS CG C 10.336 9.952 0.221 1.00 . A A . 36 LYS CG 1 1 25 29840 1 1 36 LYS H H 7.824 11.187 -1.867 1.00 . A A . 36 LYS H 1 1 25 29841 1 1 36 LYS HA H 7.949 9.102 -1.024 1.00 . A A . 36 LYS HA 1 1 25 29842 1 1 36 LYS HB2 H 8.785 10.205 1.699 1.00 . A A . 36 LYS HB2 1 1 25 29843 1 1 36 LYS HB3 H 8.907 8.568 1.110 1.00 . A A . 36 LYS HB3 1 1 25 29844 1 1 36 LYS HD2 H 12.399 9.413 0.319 1.00 . A A . 36 LYS HD2 1 1 25 29845 1 1 36 LYS HD3 H 11.559 9.309 1.881 1.00 . A A . 36 LYS HD3 1 1 25 29846 1 1 36 LYS HE2 H 11.003 7.117 1.538 1.00 . A A . 36 LYS HE2 1 1 25 29847 1 1 36 LYS HE3 H 10.367 7.467 -0.079 1.00 . A A . 36 LYS HE3 1 1 25 29848 1 1 36 LYS HG2 H 10.342 9.803 -0.856 1.00 . A A . 36 LYS HG2 1 1 25 29849 1 1 36 LYS HG3 H 10.540 11.008 0.405 1.00 . A A . 36 LYS HG3 1 1 25 29850 1 1 36 LYS HZ1 H 12.024 5.954 -0.295 1.00 . A A . 36 LYS HZ1 1 1 25 29851 1 1 36 LYS HZ2 H 12.499 7.363 -0.986 1.00 . A A . 36 LYS HZ2 1 1 25 29852 1 1 36 LYS HZ3 H 13.169 6.889 0.462 1.00 . A A . 36 LYS HZ3 1 1 25 29853 1 1 36 LYS N N 7.941 11.157 -0.865 1.00 . A A . 36 LYS N 1 1 25 29854 1 1 36 LYS NZ N 12.329 6.908 -0.089 1.00 . A A . 36 LYS NZ 1 1 25 29855 1 1 36 LYS O O 5.573 10.528 0.184 1.00 . A A . 36 LYS O 1 1 25 29856 1 1 37 ILE C C 5.699 7.672 3.271 1.00 . A A . 37 ILE C 1 1 25 29857 1 1 37 ILE CA C 5.149 8.420 2.059 1.00 . A A . 37 ILE CA 1 1 25 29858 1 1 37 ILE CB C 3.859 7.748 1.543 1.00 . A A . 37 ILE CB 1 1 25 29859 1 1 37 ILE CD1 C 2.182 7.606 -0.392 1.00 . A A . 37 ILE CD1 1 1 25 29860 1 1 37 ILE CG1 C 3.511 8.167 0.114 1.00 . A A . 37 ILE CG1 1 1 25 29861 1 1 37 ILE CG2 C 2.704 8.107 2.489 1.00 . A A . 37 ILE CG2 1 1 25 29862 1 1 37 ILE H H 6.914 7.811 1.037 1.00 . A A . 37 ILE H 1 1 25 29863 1 1 37 ILE HA H 4.903 9.420 2.399 1.00 . A A . 37 ILE HA 1 1 25 29864 1 1 37 ILE HB H 3.994 6.668 1.546 1.00 . A A . 37 ILE HB 1 1 25 29865 1 1 37 ILE HD11 H 2.118 7.766 -1.468 1.00 . A A . 37 ILE HD11 1 1 25 29866 1 1 37 ILE HD12 H 2.116 6.539 -0.184 1.00 . A A . 37 ILE HD12 1 1 25 29867 1 1 37 ILE HD13 H 1.349 8.124 0.082 1.00 . A A . 37 ILE HD13 1 1 25 29868 1 1 37 ILE HG12 H 3.454 9.250 0.061 1.00 . A A . 37 ILE HG12 1 1 25 29869 1 1 37 ILE HG13 H 4.303 7.797 -0.535 1.00 . A A . 37 ILE HG13 1 1 25 29870 1 1 37 ILE HG21 H 1.811 7.543 2.227 1.00 . A A . 37 ILE HG21 1 1 25 29871 1 1 37 ILE HG22 H 2.968 7.873 3.519 1.00 . A A . 37 ILE HG22 1 1 25 29872 1 1 37 ILE HG23 H 2.481 9.172 2.417 1.00 . A A . 37 ILE HG23 1 1 25 29873 1 1 37 ILE N N 6.203 8.532 1.047 1.00 . A A . 37 ILE N 1 1 25 29874 1 1 37 ILE O O 5.597 8.145 4.398 1.00 . A A . 37 ILE O 1 1 25 29875 1 1 38 ALA C C 5.743 4.973 4.822 1.00 . A A . 38 ALA C 1 1 25 29876 1 1 38 ALA CA C 6.856 5.572 3.961 1.00 . A A . 38 ALA CA 1 1 25 29877 1 1 38 ALA CB C 7.975 6.229 4.772 1.00 . A A . 38 ALA CB 1 1 25 29878 1 1 38 ALA H H 6.267 6.232 2.032 1.00 . A A . 38 ALA H 1 1 25 29879 1 1 38 ALA HA H 7.320 4.763 3.394 1.00 . A A . 38 ALA HA 1 1 25 29880 1 1 38 ALA HB1 H 8.700 6.655 4.079 1.00 . A A . 38 ALA HB1 1 1 25 29881 1 1 38 ALA HB2 H 7.586 7.014 5.419 1.00 . A A . 38 ALA HB2 1 1 25 29882 1 1 38 ALA HB3 H 8.463 5.474 5.388 1.00 . A A . 38 ALA HB3 1 1 25 29883 1 1 38 ALA N N 6.287 6.506 2.996 1.00 . A A . 38 ALA N 1 1 25 29884 1 1 38 ALA O O 5.445 5.445 5.915 1.00 . A A . 38 ALA O 1 1 25 29885 1 1 39 ILE C C 4.377 2.131 5.739 1.00 . A A . 39 ILE C 1 1 25 29886 1 1 39 ILE CA C 3.930 3.324 4.900 1.00 . A A . 39 ILE CA 1 1 25 29887 1 1 39 ILE CB C 2.876 3.020 3.832 1.00 . A A . 39 ILE CB 1 1 25 29888 1 1 39 ILE CD1 C 1.719 5.296 4.288 1.00 . A A . 39 ILE CD1 1 1 25 29889 1 1 39 ILE CG1 C 2.328 4.336 3.257 1.00 . A A . 39 ILE CG1 1 1 25 29890 1 1 39 ILE CG2 C 1.732 2.162 4.377 1.00 . A A . 39 ILE CG2 1 1 25 29891 1 1 39 ILE H H 5.425 3.543 3.415 1.00 . A A . 39 ILE H 1 1 25 29892 1 1 39 ILE HA H 3.467 4.023 5.593 1.00 . A A . 39 ILE HA 1 1 25 29893 1 1 39 ILE HB H 3.334 2.462 3.018 1.00 . A A . 39 ILE HB 1 1 25 29894 1 1 39 ILE HD11 H 1.077 6.013 3.778 1.00 . A A . 39 ILE HD11 1 1 25 29895 1 1 39 ILE HD12 H 1.116 4.756 5.013 1.00 . A A . 39 ILE HD12 1 1 25 29896 1 1 39 ILE HD13 H 2.504 5.845 4.807 1.00 . A A . 39 ILE HD13 1 1 25 29897 1 1 39 ILE HG12 H 3.111 4.861 2.710 1.00 . A A . 39 ILE HG12 1 1 25 29898 1 1 39 ILE HG13 H 1.552 4.069 2.555 1.00 . A A . 39 ILE HG13 1 1 25 29899 1 1 39 ILE HG21 H 0.873 2.207 3.711 1.00 . A A . 39 ILE HG21 1 1 25 29900 1 1 39 ILE HG22 H 2.059 1.126 4.425 1.00 . A A . 39 ILE HG22 1 1 25 29901 1 1 39 ILE HG23 H 1.441 2.506 5.366 1.00 . A A . 39 ILE HG23 1 1 25 29902 1 1 39 ILE N N 5.086 3.945 4.282 1.00 . A A . 39 ILE N 1 1 25 29903 1 1 39 ILE O O 4.511 1.008 5.259 1.00 . A A . 39 ILE O 1 1 25 29904 1 1 40 ASP C C 3.730 0.881 8.661 1.00 . A A . 40 ASP C 1 1 25 29905 1 1 40 ASP CA C 4.985 1.496 8.063 1.00 . A A . 40 ASP CA 1 1 25 29906 1 1 40 ASP CB C 5.725 2.228 9.193 1.00 . A A . 40 ASP CB 1 1 25 29907 1 1 40 ASP CG C 6.977 2.972 8.756 1.00 . A A . 40 ASP CG 1 1 25 29908 1 1 40 ASP H H 4.305 3.359 7.279 1.00 . A A . 40 ASP H 1 1 25 29909 1 1 40 ASP HA H 5.626 0.719 7.642 1.00 . A A . 40 ASP HA 1 1 25 29910 1 1 40 ASP HB2 H 5.047 2.939 9.662 1.00 . A A . 40 ASP HB2 1 1 25 29911 1 1 40 ASP HB3 H 6.038 1.503 9.945 1.00 . A A . 40 ASP HB3 1 1 25 29912 1 1 40 ASP N N 4.572 2.425 7.020 1.00 . A A . 40 ASP N 1 1 25 29913 1 1 40 ASP O O 2.642 1.430 8.485 1.00 . A A . 40 ASP O 1 1 25 29914 1 1 40 ASP OD1 O 7.632 2.499 7.805 1.00 . A A . 40 ASP OD1 1 1 25 29915 1 1 40 ASP OD2 O 7.264 3.993 9.418 1.00 . A A . 40 ASP OD2 1 1 25 29916 1 1 41 LYS C C 1.741 -0.013 10.651 1.00 . A A . 41 LYS C 1 1 25 29917 1 1 41 LYS CA C 2.800 -0.937 10.057 1.00 . A A . 41 LYS CA 1 1 25 29918 1 1 41 LYS CB C 3.349 -1.927 11.094 1.00 . A A . 41 LYS CB 1 1 25 29919 1 1 41 LYS CD C 4.266 -1.781 13.442 1.00 . A A . 41 LYS CD 1 1 25 29920 1 1 41 LYS CE C 5.551 -1.739 14.283 1.00 . A A . 41 LYS CE 1 1 25 29921 1 1 41 LYS CG C 4.547 -1.495 11.959 1.00 . A A . 41 LYS CG 1 1 25 29922 1 1 41 LYS H H 4.817 -0.568 9.551 1.00 . A A . 41 LYS H 1 1 25 29923 1 1 41 LYS HA H 2.313 -1.536 9.289 1.00 . A A . 41 LYS HA 1 1 25 29924 1 1 41 LYS HB2 H 2.518 -2.247 11.712 1.00 . A A . 41 LYS HB2 1 1 25 29925 1 1 41 LYS HB3 H 3.680 -2.797 10.545 1.00 . A A . 41 LYS HB3 1 1 25 29926 1 1 41 LYS HD2 H 3.574 -1.015 13.802 1.00 . A A . 41 LYS HD2 1 1 25 29927 1 1 41 LYS HD3 H 3.782 -2.753 13.559 1.00 . A A . 41 LYS HD3 1 1 25 29928 1 1 41 LYS HE2 H 6.198 -0.935 13.926 1.00 . A A . 41 LYS HE2 1 1 25 29929 1 1 41 LYS HE3 H 5.278 -1.523 15.317 1.00 . A A . 41 LYS HE3 1 1 25 29930 1 1 41 LYS HG2 H 5.417 -2.070 11.630 1.00 . A A . 41 LYS HG2 1 1 25 29931 1 1 41 LYS HG3 H 4.777 -0.437 11.837 1.00 . A A . 41 LYS HG3 1 1 25 29932 1 1 41 LYS HZ1 H 6.520 -3.388 13.336 1.00 . A A . 41 LYS HZ1 1 1 25 29933 1 1 41 LYS HZ2 H 7.166 -2.955 14.760 1.00 . A A . 41 LYS HZ2 1 1 25 29934 1 1 41 LYS HZ3 H 5.753 -3.768 14.683 1.00 . A A . 41 LYS HZ3 1 1 25 29935 1 1 41 LYS N N 3.887 -0.199 9.433 1.00 . A A . 41 LYS N 1 1 25 29936 1 1 41 LYS NZ N 6.290 -3.024 14.268 1.00 . A A . 41 LYS NZ 1 1 25 29937 1 1 41 LYS O O 0.554 -0.156 10.358 1.00 . A A . 41 LYS O 1 1 25 29938 1 1 42 LYS C C 0.340 2.552 11.084 1.00 . A A . 42 LYS C 1 1 25 29939 1 1 42 LYS CA C 1.373 1.985 12.057 1.00 . A A . 42 LYS CA 1 1 25 29940 1 1 42 LYS CB C 2.246 3.145 12.557 1.00 . A A . 42 LYS CB 1 1 25 29941 1 1 42 LYS CD C 3.677 4.120 14.376 1.00 . A A . 42 LYS CD 1 1 25 29942 1 1 42 LYS CE C 2.652 4.979 15.144 1.00 . A A . 42 LYS CE 1 1 25 29943 1 1 42 LYS CG C 3.050 2.828 13.826 1.00 . A A . 42 LYS CG 1 1 25 29944 1 1 42 LYS H H 3.200 0.986 11.576 1.00 . A A . 42 LYS H 1 1 25 29945 1 1 42 LYS HA H 0.823 1.537 12.885 1.00 . A A . 42 LYS HA 1 1 25 29946 1 1 42 LYS HB2 H 2.930 3.450 11.762 1.00 . A A . 42 LYS HB2 1 1 25 29947 1 1 42 LYS HB3 H 1.579 3.982 12.754 1.00 . A A . 42 LYS HB3 1 1 25 29948 1 1 42 LYS HD2 H 4.492 3.855 15.053 1.00 . A A . 42 LYS HD2 1 1 25 29949 1 1 42 LYS HD3 H 4.105 4.670 13.534 1.00 . A A . 42 LYS HD3 1 1 25 29950 1 1 42 LYS HE2 H 1.658 4.885 14.705 1.00 . A A . 42 LYS HE2 1 1 25 29951 1 1 42 LYS HE3 H 2.589 4.617 16.173 1.00 . A A . 42 LYS HE3 1 1 25 29952 1 1 42 LYS HG2 H 2.411 2.369 14.582 1.00 . A A . 42 LYS HG2 1 1 25 29953 1 1 42 LYS HG3 H 3.846 2.126 13.567 1.00 . A A . 42 LYS HG3 1 1 25 29954 1 1 42 LYS HZ1 H 3.025 6.764 14.194 1.00 . A A . 42 LYS HZ1 1 1 25 29955 1 1 42 LYS HZ2 H 2.318 6.936 15.666 1.00 . A A . 42 LYS HZ2 1 1 25 29956 1 1 42 LYS HZ3 H 3.915 6.555 15.565 1.00 . A A . 42 LYS HZ3 1 1 25 29957 1 1 42 LYS N N 2.201 0.952 11.452 1.00 . A A . 42 LYS N 1 1 25 29958 1 1 42 LYS NZ N 3.008 6.413 15.143 1.00 . A A . 42 LYS NZ 1 1 25 29959 1 1 42 LYS O O -0.835 2.639 11.421 1.00 . A A . 42 LYS O 1 1 25 29960 1 1 43 SER C C -0.765 2.536 8.107 1.00 . A A . 43 SER C 1 1 25 29961 1 1 43 SER CA C -0.072 3.624 8.924 1.00 . A A . 43 SER CA 1 1 25 29962 1 1 43 SER CB C 0.782 4.547 8.048 1.00 . A A . 43 SER CB 1 1 25 29963 1 1 43 SER H H 1.752 2.820 9.649 1.00 . A A . 43 SER H 1 1 25 29964 1 1 43 SER HA H -0.825 4.234 9.425 1.00 . A A . 43 SER HA 1 1 25 29965 1 1 43 SER HB2 H 1.461 3.962 7.428 1.00 . A A . 43 SER HB2 1 1 25 29966 1 1 43 SER HB3 H 0.126 5.134 7.401 1.00 . A A . 43 SER HB3 1 1 25 29967 1 1 43 SER HG H 2.107 5.961 8.322 1.00 . A A . 43 SER HG 1 1 25 29968 1 1 43 SER N N 0.786 2.987 9.906 1.00 . A A . 43 SER N 1 1 25 29969 1 1 43 SER O O -1.991 2.486 8.026 1.00 . A A . 43 SER O 1 1 25 29970 1 1 43 SER OG O 1.547 5.406 8.874 1.00 . A A . 43 SER OG 1 1 25 29971 1 1 44 ALA C C -1.540 -0.197 7.145 1.00 . A A . 44 ALA C 1 1 25 29972 1 1 44 ALA CA C -0.296 0.537 6.671 1.00 . A A . 44 ALA CA 1 1 25 29973 1 1 44 ALA CB C 0.896 -0.415 6.629 1.00 . A A . 44 ALA CB 1 1 25 29974 1 1 44 ALA H H 1.036 1.737 7.761 1.00 . A A . 44 ALA H 1 1 25 29975 1 1 44 ALA HA H -0.469 0.890 5.658 1.00 . A A . 44 ALA HA 1 1 25 29976 1 1 44 ALA HB1 H 0.682 -1.192 5.898 1.00 . A A . 44 ALA HB1 1 1 25 29977 1 1 44 ALA HB2 H 1.807 0.127 6.368 1.00 . A A . 44 ALA HB2 1 1 25 29978 1 1 44 ALA HB3 H 1.046 -0.877 7.600 1.00 . A A . 44 ALA HB3 1 1 25 29979 1 1 44 ALA N N 0.053 1.651 7.534 1.00 . A A . 44 ALA N 1 1 25 29980 1 1 44 ALA O O -2.516 -0.332 6.401 1.00 . A A . 44 ALA O 1 1 25 29981 1 1 45 HIS C C -3.735 -0.647 9.393 1.00 . A A . 45 HIS C 1 1 25 29982 1 1 45 HIS CA C -2.553 -1.494 8.937 1.00 . A A . 45 HIS CA 1 1 25 29983 1 1 45 HIS CB C -2.022 -2.398 10.058 1.00 . A A . 45 HIS CB 1 1 25 29984 1 1 45 HIS CD2 C -0.606 -4.096 8.716 1.00 . A A . 45 HIS CD2 1 1 25 29985 1 1 45 HIS CE1 C -1.627 -5.939 9.312 1.00 . A A . 45 HIS CE1 1 1 25 29986 1 1 45 HIS CG C -1.632 -3.769 9.569 1.00 . A A . 45 HIS CG 1 1 25 29987 1 1 45 HIS H H -0.684 -0.472 8.982 1.00 . A A . 45 HIS H 1 1 25 29988 1 1 45 HIS HA H -2.929 -2.142 8.151 1.00 . A A . 45 HIS HA 1 1 25 29989 1 1 45 HIS HB2 H -1.180 -1.937 10.571 1.00 . A A . 45 HIS HB2 1 1 25 29990 1 1 45 HIS HB3 H -2.811 -2.538 10.799 1.00 . A A . 45 HIS HB3 1 1 25 29991 1 1 45 HIS HD1 H -3.012 -5.029 10.598 1.00 . A A . 45 HIS HD1 1 1 25 29992 1 1 45 HIS HD2 H 0.098 -3.411 8.272 1.00 . A A . 45 HIS HD2 1 1 25 29993 1 1 45 HIS HE1 H -1.883 -6.972 9.455 1.00 . A A . 45 HIS HE1 1 1 25 29994 1 1 45 HIS N N -1.486 -0.686 8.387 1.00 . A A . 45 HIS N 1 1 25 29995 1 1 45 HIS ND1 N -2.260 -4.934 9.932 1.00 . A A . 45 HIS ND1 1 1 25 29996 1 1 45 HIS NE2 N -0.610 -5.489 8.558 1.00 . A A . 45 HIS NE2 1 1 25 29997 1 1 45 HIS O O -4.821 -1.204 9.568 1.00 . A A . 45 HIS O 1 1 25 29998 1 1 46 LYS C C -5.308 2.172 8.942 1.00 . A A . 46 LYS C 1 1 25 29999 1 1 46 LYS CA C -4.547 1.558 10.118 1.00 . A A . 46 LYS CA 1 1 25 30000 1 1 46 LYS CB C -3.825 2.566 11.031 1.00 . A A . 46 LYS CB 1 1 25 30001 1 1 46 LYS CD C -5.369 4.578 10.997 1.00 . A A . 46 LYS CD 1 1 25 30002 1 1 46 LYS CE C -5.986 5.708 11.830 1.00 . A A . 46 LYS CE 1 1 25 30003 1 1 46 LYS CG C -4.702 3.509 11.865 1.00 . A A . 46 LYS CG 1 1 25 30004 1 1 46 LYS H H -2.685 1.089 9.247 1.00 . A A . 46 LYS H 1 1 25 30005 1 1 46 LYS HA H -5.253 0.999 10.735 1.00 . A A . 46 LYS HA 1 1 25 30006 1 1 46 LYS HB2 H -3.254 1.976 11.749 1.00 . A A . 46 LYS HB2 1 1 25 30007 1 1 46 LYS HB3 H -3.119 3.159 10.450 1.00 . A A . 46 LYS HB3 1 1 25 30008 1 1 46 LYS HD2 H -4.629 4.994 10.311 1.00 . A A . 46 LYS HD2 1 1 25 30009 1 1 46 LYS HD3 H -6.161 4.099 10.424 1.00 . A A . 46 LYS HD3 1 1 25 30010 1 1 46 LYS HE2 H -6.701 5.278 12.533 1.00 . A A . 46 LYS HE2 1 1 25 30011 1 1 46 LYS HE3 H -5.206 6.228 12.388 1.00 . A A . 46 LYS HE3 1 1 25 30012 1 1 46 LYS HG2 H -5.451 2.936 12.412 1.00 . A A . 46 LYS HG2 1 1 25 30013 1 1 46 LYS HG3 H -4.044 4.001 12.584 1.00 . A A . 46 LYS HG3 1 1 25 30014 1 1 46 LYS HZ1 H -7.196 7.364 11.496 1.00 . A A . 46 LYS HZ1 1 1 25 30015 1 1 46 LYS HZ2 H -6.058 7.119 10.322 1.00 . A A . 46 LYS HZ2 1 1 25 30016 1 1 46 LYS HZ3 H -7.360 6.161 10.377 1.00 . A A . 46 LYS HZ3 1 1 25 30017 1 1 46 LYS N N -3.545 0.661 9.576 1.00 . A A . 46 LYS N 1 1 25 30018 1 1 46 LYS NZ N -6.696 6.671 10.962 1.00 . A A . 46 LYS NZ 1 1 25 30019 1 1 46 LYS O O -6.441 1.777 8.676 1.00 . A A . 46 LYS O 1 1 25 30020 1 1 47 ASP C C -4.087 4.152 6.134 1.00 . A A . 47 ASP C 1 1 25 30021 1 1 47 ASP CA C -5.231 3.805 7.084 1.00 . A A . 47 ASP CA 1 1 25 30022 1 1 47 ASP CB C -5.999 5.086 7.473 1.00 . A A . 47 ASP CB 1 1 25 30023 1 1 47 ASP CG C -7.436 4.861 7.921 1.00 . A A . 47 ASP CG 1 1 25 30024 1 1 47 ASP H H -3.686 3.247 8.420 1.00 . A A . 47 ASP H 1 1 25 30025 1 1 47 ASP HA H -5.906 3.138 6.555 1.00 . A A . 47 ASP HA 1 1 25 30026 1 1 47 ASP HB2 H -5.439 5.647 8.219 1.00 . A A . 47 ASP HB2 1 1 25 30027 1 1 47 ASP HB3 H -6.080 5.714 6.586 1.00 . A A . 47 ASP HB3 1 1 25 30028 1 1 47 ASP N N -4.677 3.114 8.238 1.00 . A A . 47 ASP N 1 1 25 30029 1 1 47 ASP O O -3.552 5.256 6.187 1.00 . A A . 47 ASP O 1 1 25 30030 1 1 47 ASP OD1 O -8.214 4.319 7.113 1.00 . A A . 47 ASP OD1 1 1 25 30031 1 1 47 ASP OD2 O -7.747 5.298 9.053 1.00 . A A . 47 ASP OD2 1 1 25 30032 1 1 48 ALA C C -3.118 2.474 2.979 1.00 . A A . 48 ALA C 1 1 25 30033 1 1 48 ALA CA C -2.912 3.518 4.082 1.00 . A A . 48 ALA CA 1 1 25 30034 1 1 48 ALA CB C -1.445 3.704 4.467 1.00 . A A . 48 ALA CB 1 1 25 30035 1 1 48 ALA H H -4.164 2.310 5.326 1.00 . A A . 48 ALA H 1 1 25 30036 1 1 48 ALA HA H -3.255 4.472 3.684 1.00 . A A . 48 ALA HA 1 1 25 30037 1 1 48 ALA HB1 H -1.077 2.818 4.971 1.00 . A A . 48 ALA HB1 1 1 25 30038 1 1 48 ALA HB2 H -0.856 3.889 3.568 1.00 . A A . 48 ALA HB2 1 1 25 30039 1 1 48 ALA HB3 H -1.337 4.558 5.134 1.00 . A A . 48 ALA HB3 1 1 25 30040 1 1 48 ALA N N -3.730 3.216 5.251 1.00 . A A . 48 ALA N 1 1 25 30041 1 1 48 ALA O O -3.384 2.833 1.838 1.00 . A A . 48 ALA O 1 1 25 30042 1 1 49 CYS C C -4.697 -0.477 2.586 1.00 . A A . 49 CYS C 1 1 25 30043 1 1 49 CYS CA C -3.277 0.079 2.395 1.00 . A A . 49 CYS CA 1 1 25 30044 1 1 49 CYS CB C -2.213 -0.981 2.579 1.00 . A A . 49 CYS CB 1 1 25 30045 1 1 49 CYS H H -2.640 0.947 4.206 1.00 . A A . 49 CYS H 1 1 25 30046 1 1 49 CYS HA H -3.224 0.430 1.371 1.00 . A A . 49 CYS HA 1 1 25 30047 1 1 49 CYS HB2 H -2.400 -1.518 3.508 1.00 . A A . 49 CYS HB2 1 1 25 30048 1 1 49 CYS HB3 H -2.262 -1.696 1.758 1.00 . A A . 49 CYS HB3 1 1 25 30049 1 1 49 CYS N N -3.030 1.183 3.314 1.00 . A A . 49 CYS N 1 1 25 30050 1 1 49 CYS O O -5.577 -0.308 1.739 1.00 . A A . 49 CYS O 1 1 25 30051 1 1 49 CYS SG S -0.518 -0.330 2.759 1.00 . A A . 49 CYS SG 1 1 25 30052 1 1 50 LYS C C -7.423 -1.004 3.793 1.00 . A A . 50 LYS C 1 1 25 30053 1 1 50 LYS CA C -6.180 -1.870 3.983 1.00 . A A . 50 LYS CA 1 1 25 30054 1 1 50 LYS CB C -6.135 -2.486 5.390 1.00 . A A . 50 LYS CB 1 1 25 30055 1 1 50 LYS CD C -4.690 -4.253 6.619 1.00 . A A . 50 LYS CD 1 1 25 30056 1 1 50 LYS CE C -5.575 -4.460 7.859 1.00 . A A . 50 LYS CE 1 1 25 30057 1 1 50 LYS CG C -5.446 -3.856 5.343 1.00 . A A . 50 LYS CG 1 1 25 30058 1 1 50 LYS H H -4.206 -1.185 4.415 1.00 . A A . 50 LYS H 1 1 25 30059 1 1 50 LYS HA H -6.258 -2.675 3.251 1.00 . A A . 50 LYS HA 1 1 25 30060 1 1 50 LYS HB2 H -5.609 -1.801 6.057 1.00 . A A . 50 LYS HB2 1 1 25 30061 1 1 50 LYS HB3 H -7.156 -2.627 5.751 1.00 . A A . 50 LYS HB3 1 1 25 30062 1 1 50 LYS HD2 H -4.190 -5.202 6.410 1.00 . A A . 50 LYS HD2 1 1 25 30063 1 1 50 LYS HD3 H -3.904 -3.524 6.808 1.00 . A A . 50 LYS HD3 1 1 25 30064 1 1 50 LYS HE2 H -6.392 -5.137 7.602 1.00 . A A . 50 LYS HE2 1 1 25 30065 1 1 50 LYS HE3 H -4.968 -4.940 8.630 1.00 . A A . 50 LYS HE3 1 1 25 30066 1 1 50 LYS HG2 H -6.176 -4.623 5.081 1.00 . A A . 50 LYS HG2 1 1 25 30067 1 1 50 LYS HG3 H -4.703 -3.834 4.550 1.00 . A A . 50 LYS HG3 1 1 25 30068 1 1 50 LYS HZ1 H -6.709 -3.400 9.214 1.00 . A A . 50 LYS HZ1 1 1 25 30069 1 1 50 LYS HZ2 H -5.393 -2.575 8.739 1.00 . A A . 50 LYS HZ2 1 1 25 30070 1 1 50 LYS HZ3 H -6.669 -2.709 7.728 1.00 . A A . 50 LYS HZ3 1 1 25 30071 1 1 50 LYS N N -4.943 -1.137 3.725 1.00 . A A . 50 LYS N 1 1 25 30072 1 1 50 LYS NZ N -6.124 -3.204 8.416 1.00 . A A . 50 LYS NZ 1 1 25 30073 1 1 50 LYS O O -8.425 -1.484 3.271 1.00 . A A . 50 LYS O 1 1 25 30074 1 1 51 THR C C -8.906 1.311 2.611 1.00 . A A . 51 THR C 1 1 25 30075 1 1 51 THR CA C -8.476 1.190 4.076 1.00 . A A . 51 THR CA 1 1 25 30076 1 1 51 THR CB C -8.088 2.532 4.709 1.00 . A A . 51 THR CB 1 1 25 30077 1 1 51 THR CG2 C -7.022 3.306 3.923 1.00 . A A . 51 THR CG2 1 1 25 30078 1 1 51 THR H H -6.485 0.603 4.575 1.00 . A A . 51 THR H 1 1 25 30079 1 1 51 THR HA H -9.321 0.791 4.642 1.00 . A A . 51 THR HA 1 1 25 30080 1 1 51 THR HB H -7.708 2.301 5.704 1.00 . A A . 51 THR HB 1 1 25 30081 1 1 51 THR HG1 H -9.027 3.881 5.703 1.00 . A A . 51 THR HG1 1 1 25 30082 1 1 51 THR HG21 H -7.422 3.638 2.964 1.00 . A A . 51 THR HG21 1 1 25 30083 1 1 51 THR HG22 H -6.732 4.193 4.487 1.00 . A A . 51 THR HG22 1 1 25 30084 1 1 51 THR HG23 H -6.141 2.691 3.749 1.00 . A A . 51 THR HG23 1 1 25 30085 1 1 51 THR N N -7.361 0.260 4.213 1.00 . A A . 51 THR N 1 1 25 30086 1 1 51 THR O O -10.091 1.406 2.305 1.00 . A A . 51 THR O 1 1 25 30087 1 1 51 THR OG1 O -9.212 3.355 4.902 1.00 . A A . 51 THR OG1 1 1 25 30088 1 1 52 CYS C C -8.665 -0.024 -0.200 1.00 . A A . 52 CYS C 1 1 25 30089 1 1 52 CYS CA C -8.162 1.332 0.276 1.00 . A A . 52 CYS CA 1 1 25 30090 1 1 52 CYS CB C -6.866 1.693 -0.404 1.00 . A A . 52 CYS CB 1 1 25 30091 1 1 52 CYS H H -6.985 1.026 1.996 1.00 . A A . 52 CYS H 1 1 25 30092 1 1 52 CYS HA H -8.922 2.089 0.071 1.00 . A A . 52 CYS HA 1 1 25 30093 1 1 52 CYS HB2 H -6.122 1.994 0.334 1.00 . A A . 52 CYS HB2 1 1 25 30094 1 1 52 CYS HB3 H -6.473 0.831 -0.939 1.00 . A A . 52 CYS HB3 1 1 25 30095 1 1 52 CYS N N -7.930 1.254 1.703 1.00 . A A . 52 CYS N 1 1 25 30096 1 1 52 CYS O O -9.726 -0.132 -0.810 1.00 . A A . 52 CYS O 1 1 25 30097 1 1 52 CYS SG S -7.086 3.091 -1.531 1.00 . A A . 52 CYS SG 1 1 25 30098 1 1 53 HIS C C -9.579 -2.889 0.009 1.00 . A A . 53 HIS C 1 1 25 30099 1 1 53 HIS CA C -8.198 -2.398 -0.442 1.00 . A A . 53 HIS CA 1 1 25 30100 1 1 53 HIS CB C -7.126 -3.407 -0.028 1.00 . A A . 53 HIS CB 1 1 25 30101 1 1 53 HIS CD2 C -5.335 -2.386 -1.622 1.00 . A A . 53 HIS CD2 1 1 25 30102 1 1 53 HIS CE1 C -3.747 -3.843 -1.286 1.00 . A A . 53 HIS CE1 1 1 25 30103 1 1 53 HIS CG C -5.774 -3.291 -0.686 1.00 . A A . 53 HIS CG 1 1 25 30104 1 1 53 HIS H H -7.023 -0.917 0.588 1.00 . A A . 53 HIS H 1 1 25 30105 1 1 53 HIS HA H -8.215 -2.345 -1.532 1.00 . A A . 53 HIS HA 1 1 25 30106 1 1 53 HIS HB2 H -7.006 -3.371 1.053 1.00 . A A . 53 HIS HB2 1 1 25 30107 1 1 53 HIS HB3 H -7.515 -4.388 -0.300 1.00 . A A . 53 HIS HB3 1 1 25 30108 1 1 53 HIS HD1 H -4.784 -5.030 0.079 1.00 . A A . 53 HIS HD1 1 1 25 30109 1 1 53 HIS HD2 H -5.857 -1.549 -2.053 1.00 . A A . 53 HIS HD2 1 1 25 30110 1 1 53 HIS HE1 H -2.817 -4.375 -1.368 1.00 . A A . 53 HIS HE1 1 1 25 30111 1 1 53 HIS N N -7.892 -1.076 0.081 1.00 . A A . 53 HIS N 1 1 25 30112 1 1 53 HIS ND1 N -4.767 -4.202 -0.491 1.00 . A A . 53 HIS ND1 1 1 25 30113 1 1 53 HIS NE2 N -4.041 -2.749 -1.998 1.00 . A A . 53 HIS NE2 1 1 25 30114 1 1 53 HIS O O -10.217 -3.637 -0.728 1.00 . A A . 53 HIS O 1 1 25 30115 1 1 54 LYS C C -12.466 -2.133 0.964 1.00 . A A . 54 LYS C 1 1 25 30116 1 1 54 LYS CA C -11.358 -2.882 1.716 1.00 . A A . 54 LYS CA 1 1 25 30117 1 1 54 LYS CB C -11.445 -2.650 3.225 1.00 . A A . 54 LYS CB 1 1 25 30118 1 1 54 LYS CD C -10.508 -3.377 5.442 1.00 . A A . 54 LYS CD 1 1 25 30119 1 1 54 LYS CE C -11.853 -3.308 6.183 1.00 . A A . 54 LYS CE 1 1 25 30120 1 1 54 LYS CG C -10.605 -3.703 3.953 1.00 . A A . 54 LYS CG 1 1 25 30121 1 1 54 LYS H H -9.462 -1.906 1.786 1.00 . A A . 54 LYS H 1 1 25 30122 1 1 54 LYS HA H -11.500 -3.953 1.593 1.00 . A A . 54 LYS HA 1 1 25 30123 1 1 54 LYS HB2 H -11.107 -1.639 3.461 1.00 . A A . 54 LYS HB2 1 1 25 30124 1 1 54 LYS HB3 H -12.485 -2.756 3.534 1.00 . A A . 54 LYS HB3 1 1 25 30125 1 1 54 LYS HD2 H -9.858 -4.121 5.899 1.00 . A A . 54 LYS HD2 1 1 25 30126 1 1 54 LYS HD3 H -10.024 -2.402 5.507 1.00 . A A . 54 LYS HD3 1 1 25 30127 1 1 54 LYS HE2 H -11.657 -3.140 7.244 1.00 . A A . 54 LYS HE2 1 1 25 30128 1 1 54 LYS HE3 H -12.432 -2.457 5.818 1.00 . A A . 54 LYS HE3 1 1 25 30129 1 1 54 LYS HG2 H -11.016 -4.699 3.787 1.00 . A A . 54 LYS HG2 1 1 25 30130 1 1 54 LYS HG3 H -9.595 -3.696 3.542 1.00 . A A . 54 LYS HG3 1 1 25 30131 1 1 54 LYS HZ1 H -12.883 -4.682 5.056 1.00 . A A . 54 LYS HZ1 1 1 25 30132 1 1 54 LYS HZ2 H -12.136 -5.342 6.369 1.00 . A A . 54 LYS HZ2 1 1 25 30133 1 1 54 LYS HZ3 H -13.512 -4.462 6.557 1.00 . A A . 54 LYS HZ3 1 1 25 30134 1 1 54 LYS N N -10.036 -2.516 1.212 1.00 . A A . 54 LYS N 1 1 25 30135 1 1 54 LYS NZ N -12.652 -4.542 6.029 1.00 . A A . 54 LYS NZ 1 1 25 30136 1 1 54 LYS O O -13.179 -1.314 1.539 1.00 . A A . 54 LYS O 1 1 25 30137 1 1 55 SER C C -13.772 -2.842 -2.384 1.00 . A A . 55 SER C 1 1 25 30138 1 1 55 SER CA C -13.669 -1.908 -1.183 1.00 . A A . 55 SER CA 1 1 25 30139 1 1 55 SER CB C -13.306 -0.477 -1.603 1.00 . A A . 55 SER CB 1 1 25 30140 1 1 55 SER H H -11.998 -3.131 -0.720 1.00 . A A . 55 SER H 1 1 25 30141 1 1 55 SER HA H -14.625 -1.900 -0.657 1.00 . A A . 55 SER HA 1 1 25 30142 1 1 55 SER HB2 H -14.050 -0.121 -2.317 1.00 . A A . 55 SER HB2 1 1 25 30143 1 1 55 SER HB3 H -13.316 0.182 -0.732 1.00 . A A . 55 SER HB3 1 1 25 30144 1 1 55 SER HG H -11.344 -0.324 -1.534 1.00 . A A . 55 SER HG 1 1 25 30145 1 1 55 SER N N -12.633 -2.447 -0.317 1.00 . A A . 55 SER N 1 1 25 30146 1 1 55 SER O O -14.793 -3.487 -2.609 1.00 . A A . 55 SER O 1 1 25 30147 1 1 55 SER OG O -12.026 -0.439 -2.213 1.00 . A A . 55 SER OG 1 1 25 30148 1 1 56 ASN C C -12.533 -5.345 -3.500 1.00 . A A . 56 ASN C 1 1 25 30149 1 1 56 ASN CA C -12.435 -3.956 -4.126 1.00 . A A . 56 ASN CA 1 1 25 30150 1 1 56 ASN CB C -11.054 -3.795 -4.775 1.00 . A A . 56 ASN CB 1 1 25 30151 1 1 56 ASN CG C -10.893 -2.449 -5.463 1.00 . A A . 56 ASN CG 1 1 25 30152 1 1 56 ASN H H -11.934 -2.266 -2.890 1.00 . A A . 56 ASN H 1 1 25 30153 1 1 56 ASN HA H -13.204 -3.855 -4.894 1.00 . A A . 56 ASN HA 1 1 25 30154 1 1 56 ASN HB2 H -10.279 -3.926 -4.018 1.00 . A A . 56 ASN HB2 1 1 25 30155 1 1 56 ASN HB3 H -10.920 -4.570 -5.532 1.00 . A A . 56 ASN HB3 1 1 25 30156 1 1 56 ASN HD21 H -9.843 -1.712 -3.890 1.00 . A A . 56 ASN HD21 1 1 25 30157 1 1 56 ASN HD22 H -10.146 -0.598 -5.210 1.00 . A A . 56 ASN HD22 1 1 25 30158 1 1 56 ASN N N -12.662 -2.935 -3.117 1.00 . A A . 56 ASN N 1 1 25 30159 1 1 56 ASN ND2 N -10.214 -1.516 -4.806 1.00 . A A . 56 ASN ND2 1 1 25 30160 1 1 56 ASN O O -12.461 -5.513 -2.283 1.00 . A A . 56 ASN O 1 1 25 30161 1 1 56 ASN OD1 O -11.375 -2.244 -6.571 1.00 . A A . 56 ASN OD1 1 1 25 30162 1 1 57 ASN C C -11.107 -8.162 -3.915 1.00 . A A . 57 ASN C 1 1 25 30163 1 1 57 ASN CA C -12.585 -7.752 -3.970 1.00 . A A . 57 ASN CA 1 1 25 30164 1 1 57 ASN CB C -13.405 -8.599 -4.959 1.00 . A A . 57 ASN CB 1 1 25 30165 1 1 57 ASN CG C -13.913 -9.900 -4.337 1.00 . A A . 57 ASN CG 1 1 25 30166 1 1 57 ASN H H -12.578 -6.112 -5.341 1.00 . A A . 57 ASN H 1 1 25 30167 1 1 57 ASN HA H -13.024 -7.863 -2.977 1.00 . A A . 57 ASN HA 1 1 25 30168 1 1 57 ASN HB2 H -14.271 -8.016 -5.277 1.00 . A A . 57 ASN HB2 1 1 25 30169 1 1 57 ASN HB3 H -12.805 -8.825 -5.842 1.00 . A A . 57 ASN HB3 1 1 25 30170 1 1 57 ASN HD21 H -15.824 -9.565 -4.970 1.00 . A A . 57 ASN HD21 1 1 25 30171 1 1 57 ASN HD22 H -15.550 -11.042 -4.065 1.00 . A A . 57 ASN HD22 1 1 25 30172 1 1 57 ASN N N -12.658 -6.350 -4.364 1.00 . A A . 57 ASN N 1 1 25 30173 1 1 57 ASN ND2 N -15.204 -10.188 -4.474 1.00 . A A . 57 ASN ND2 1 1 25 30174 1 1 57 ASN O O -10.241 -7.400 -4.344 1.00 . A A . 57 ASN O 1 1 25 30175 1 1 57 ASN OD1 O -13.162 -10.647 -3.720 1.00 . A A . 57 ASN OD1 1 1 25 30176 1 1 58 GLY C C -9.061 -10.248 -1.931 1.00 . A A . 58 GLY C 1 1 25 30177 1 1 58 GLY CA C -9.473 -9.929 -3.367 1.00 . A A . 58 GLY CA 1 1 25 30178 1 1 58 GLY H H -11.572 -9.954 -3.101 1.00 . A A . 58 GLY H 1 1 25 30179 1 1 58 GLY HA2 H -9.505 -10.866 -3.924 1.00 . A A . 58 GLY HA2 1 1 25 30180 1 1 58 GLY HA3 H -8.736 -9.289 -3.851 1.00 . A A . 58 GLY HA3 1 1 25 30181 1 1 58 GLY N N -10.810 -9.357 -3.402 1.00 . A A . 58 GLY N 1 1 25 30182 1 1 58 GLY O O -9.364 -11.338 -1.444 1.00 . A A . 58 GLY O 1 1 25 30183 1 1 59 PRO C C -8.840 -9.714 1.139 1.00 . A A . 59 PRO C 1 1 25 30184 1 1 59 PRO CA C -7.775 -9.638 0.057 1.00 . A A . 59 PRO CA 1 1 25 30185 1 1 59 PRO CB C -6.738 -8.540 0.311 1.00 . A A . 59 PRO CB 1 1 25 30186 1 1 59 PRO CD C -7.953 -8.018 -1.692 1.00 . A A . 59 PRO CD 1 1 25 30187 1 1 59 PRO CG C -7.309 -7.356 -0.472 1.00 . A A . 59 PRO CG 1 1 25 30188 1 1 59 PRO HA H -7.329 -10.634 0.035 1.00 . A A . 59 PRO HA 1 1 25 30189 1 1 59 PRO HB2 H -6.603 -8.315 1.369 1.00 . A A . 59 PRO HB2 1 1 25 30190 1 1 59 PRO HB3 H -5.788 -8.838 -0.136 1.00 . A A . 59 PRO HB3 1 1 25 30191 1 1 59 PRO HD2 H -8.808 -7.433 -2.033 1.00 . A A . 59 PRO HD2 1 1 25 30192 1 1 59 PRO HD3 H -7.214 -8.104 -2.491 1.00 . A A . 59 PRO HD3 1 1 25 30193 1 1 59 PRO HG2 H -8.084 -6.869 0.123 1.00 . A A . 59 PRO HG2 1 1 25 30194 1 1 59 PRO HG3 H -6.538 -6.639 -0.759 1.00 . A A . 59 PRO HG3 1 1 25 30195 1 1 59 PRO N N -8.344 -9.344 -1.246 1.00 . A A . 59 PRO N 1 1 25 30196 1 1 59 PRO O O -9.970 -9.260 0.968 1.00 . A A . 59 PRO O 1 1 25 30197 1 1 60 THR C C -9.127 -11.327 4.398 1.00 . A A . 60 THR C 1 1 25 30198 1 1 60 THR CA C -9.438 -11.260 2.899 1.00 . A A . 60 THR CA 1 1 25 30199 1 1 60 THR CB C -9.438 -12.609 2.146 1.00 . A A . 60 THR CB 1 1 25 30200 1 1 60 THR CG2 C -8.388 -13.636 2.578 1.00 . A A . 60 THR CG2 1 1 25 30201 1 1 60 THR H H -7.508 -10.656 2.313 1.00 . A A . 60 THR H 1 1 25 30202 1 1 60 THR HA H -10.433 -10.819 2.808 1.00 . A A . 60 THR HA 1 1 25 30203 1 1 60 THR HB H -9.252 -12.418 1.087 1.00 . A A . 60 THR HB 1 1 25 30204 1 1 60 THR HG1 H -11.211 -12.691 1.507 1.00 . A A . 60 THR HG1 1 1 25 30205 1 1 60 THR HG21 H -8.469 -14.513 1.936 1.00 . A A . 60 THR HG21 1 1 25 30206 1 1 60 THR HG22 H -7.385 -13.223 2.470 1.00 . A A . 60 THR HG22 1 1 25 30207 1 1 60 THR HG23 H -8.560 -13.943 3.605 1.00 . A A . 60 THR HG23 1 1 25 30208 1 1 60 THR N N -8.481 -10.406 2.222 1.00 . A A . 60 THR N 1 1 25 30209 1 1 60 THR O O -9.997 -11.092 5.234 1.00 . A A . 60 THR O 1 1 25 30210 1 1 60 THR OG1 O -10.718 -13.173 2.180 1.00 . A A . 60 THR OG1 1 1 25 30211 1 1 61 LYS C C -5.829 -10.933 5.795 1.00 . A A . 61 LYS C 1 1 25 30212 1 1 61 LYS CA C -7.292 -11.291 6.039 1.00 . A A . 61 LYS CA 1 1 25 30213 1 1 61 LYS CB C -7.509 -12.421 7.066 1.00 . A A . 61 LYS CB 1 1 25 30214 1 1 61 LYS CD C -8.940 -14.416 6.426 1.00 . A A . 61 LYS CD 1 1 25 30215 1 1 61 LYS CE C -8.934 -15.853 5.879 1.00 . A A . 61 LYS CE 1 1 25 30216 1 1 61 LYS CG C -7.509 -13.864 6.526 1.00 . A A . 61 LYS CG 1 1 25 30217 1 1 61 LYS H H -7.204 -11.787 3.998 1.00 . A A . 61 LYS H 1 1 25 30218 1 1 61 LYS HA H -7.765 -10.392 6.440 1.00 . A A . 61 LYS HA 1 1 25 30219 1 1 61 LYS HB2 H -6.735 -12.333 7.831 1.00 . A A . 61 LYS HB2 1 1 25 30220 1 1 61 LYS HB3 H -8.463 -12.239 7.563 1.00 . A A . 61 LYS HB3 1 1 25 30221 1 1 61 LYS HD2 H -9.389 -14.405 7.423 1.00 . A A . 61 LYS HD2 1 1 25 30222 1 1 61 LYS HD3 H -9.529 -13.763 5.779 1.00 . A A . 61 LYS HD3 1 1 25 30223 1 1 61 LYS HE2 H -8.391 -15.884 4.933 1.00 . A A . 61 LYS HE2 1 1 25 30224 1 1 61 LYS HE3 H -8.417 -16.503 6.590 1.00 . A A . 61 LYS HE3 1 1 25 30225 1 1 61 LYS HG2 H -7.021 -13.923 5.553 1.00 . A A . 61 LYS HG2 1 1 25 30226 1 1 61 LYS HG3 H -6.951 -14.488 7.226 1.00 . A A . 61 LYS HG3 1 1 25 30227 1 1 61 LYS HZ1 H -10.788 -15.788 4.984 1.00 . A A . 61 LYS HZ1 1 1 25 30228 1 1 61 LYS HZ2 H -10.255 -17.311 5.295 1.00 . A A . 61 LYS HZ2 1 1 25 30229 1 1 61 LYS HZ3 H -10.820 -16.378 6.523 1.00 . A A . 61 LYS HZ3 1 1 25 30230 1 1 61 LYS N N -7.863 -11.588 4.736 1.00 . A A . 61 LYS N 1 1 25 30231 1 1 61 LYS NZ N -10.301 -16.367 5.655 1.00 . A A . 61 LYS NZ 1 1 25 30232 1 1 61 LYS O O -5.497 -9.752 5.691 1.00 . A A . 61 LYS O 1 1 25 30233 1 1 62 CYS C C -3.403 -12.264 3.782 1.00 . A A . 62 CYS C 1 1 25 30234 1 1 62 CYS CA C -3.593 -11.757 5.206 1.00 . A A . 62 CYS CA 1 1 25 30235 1 1 62 CYS CB C -2.612 -12.375 6.178 1.00 . A A . 62 CYS CB 1 1 25 30236 1 1 62 CYS H H -5.306 -12.889 5.700 1.00 . A A . 62 CYS H 1 1 25 30237 1 1 62 CYS HA H -3.376 -10.705 5.134 1.00 . A A . 62 CYS HA 1 1 25 30238 1 1 62 CYS HB2 H -2.449 -13.418 5.906 1.00 . A A . 62 CYS HB2 1 1 25 30239 1 1 62 CYS HB3 H -1.670 -11.830 6.088 1.00 . A A . 62 CYS HB3 1 1 25 30240 1 1 62 CYS N N -4.974 -11.943 5.626 1.00 . A A . 62 CYS N 1 1 25 30241 1 1 62 CYS O O -4.375 -12.447 3.051 1.00 . A A . 62 CYS O 1 1 25 30242 1 1 62 CYS SG S -3.159 -12.364 7.910 1.00 . A A . 62 CYS SG 1 1 25 30243 1 1 63 GLY C C -1.723 -11.990 0.983 1.00 . A A . 63 GLY C 1 1 25 30244 1 1 63 GLY CA C -1.787 -13.036 2.091 1.00 . A A . 63 GLY CA 1 1 25 30245 1 1 63 GLY H H -1.405 -12.126 3.986 1.00 . A A . 63 GLY H 1 1 25 30246 1 1 63 GLY HA2 H -0.810 -13.511 2.189 1.00 . A A . 63 GLY HA2 1 1 25 30247 1 1 63 GLY HA3 H -2.515 -13.801 1.815 1.00 . A A . 63 GLY HA3 1 1 25 30248 1 1 63 GLY N N -2.145 -12.431 3.370 1.00 . A A . 63 GLY N 1 1 25 30249 1 1 63 GLY O O -0.872 -12.065 0.103 1.00 . A A . 63 GLY O 1 1 25 30250 1 1 64 GLY C C -1.386 -9.248 -0.267 1.00 . A A . 64 GLY C 1 1 25 30251 1 1 64 GLY CA C -2.721 -9.906 0.096 1.00 . A A . 64 GLY CA 1 1 25 30252 1 1 64 GLY H H -3.313 -11.062 1.775 1.00 . A A . 64 GLY H 1 1 25 30253 1 1 64 GLY HA2 H -3.209 -10.269 -0.809 1.00 . A A . 64 GLY HA2 1 1 25 30254 1 1 64 GLY HA3 H -3.349 -9.142 0.558 1.00 . A A . 64 GLY HA3 1 1 25 30255 1 1 64 GLY N N -2.610 -10.996 1.053 1.00 . A A . 64 GLY N 1 1 25 30256 1 1 64 GLY O O -1.207 -8.819 -1.403 1.00 . A A . 64 GLY O 1 1 25 30257 1 1 65 CYS C C 1.921 -8.838 1.119 1.00 . A A . 65 CYS C 1 1 25 30258 1 1 65 CYS CA C 0.630 -8.170 0.649 1.00 . A A . 65 CYS CA 1 1 25 30259 1 1 65 CYS CB C 0.309 -6.951 1.478 1.00 . A A . 65 CYS CB 1 1 25 30260 1 1 65 CYS H H -0.714 -9.513 1.608 1.00 . A A . 65 CYS H 1 1 25 30261 1 1 65 CYS HA H 0.793 -7.849 -0.378 1.00 . A A . 65 CYS HA 1 1 25 30262 1 1 65 CYS HB2 H 0.401 -7.218 2.529 1.00 . A A . 65 CYS HB2 1 1 25 30263 1 1 65 CYS HB3 H 1.015 -6.154 1.257 1.00 . A A . 65 CYS HB3 1 1 25 30264 1 1 65 CYS N N -0.497 -9.097 0.720 1.00 . A A . 65 CYS N 1 1 25 30265 1 1 65 CYS O O 2.919 -8.853 0.402 1.00 . A A . 65 CYS O 1 1 25 30266 1 1 65 CYS SG S -1.380 -6.349 1.157 1.00 . A A . 65 CYS SG 1 1 25 30267 1 1 66 HIS C C 3.122 -11.466 2.105 1.00 . A A . 66 HIS C 1 1 25 30268 1 1 66 HIS CA C 3.049 -10.138 2.844 1.00 . A A . 66 HIS CA 1 1 25 30269 1 1 66 HIS CB C 2.877 -10.446 4.334 1.00 . A A . 66 HIS CB 1 1 25 30270 1 1 66 HIS CD2 C 1.607 -8.728 5.730 1.00 . A A . 66 HIS CD2 1 1 25 30271 1 1 66 HIS CE1 C 3.285 -7.613 6.583 1.00 . A A . 66 HIS CE1 1 1 25 30272 1 1 66 HIS CG C 2.764 -9.244 5.219 1.00 . A A . 66 HIS CG 1 1 25 30273 1 1 66 HIS H H 1.069 -9.354 2.884 1.00 . A A . 66 HIS H 1 1 25 30274 1 1 66 HIS HA H 3.968 -9.565 2.703 1.00 . A A . 66 HIS HA 1 1 25 30275 1 1 66 HIS HB2 H 2.009 -11.091 4.472 1.00 . A A . 66 HIS HB2 1 1 25 30276 1 1 66 HIS HB3 H 3.748 -11.026 4.643 1.00 . A A . 66 HIS HB3 1 1 25 30277 1 1 66 HIS HD1 H 4.801 -8.676 5.571 1.00 . A A . 66 HIS HD1 1 1 25 30278 1 1 66 HIS HD2 H 0.596 -9.032 5.553 1.00 . A A . 66 HIS HD2 1 1 25 30279 1 1 66 HIS HE1 H 3.855 -6.881 7.137 1.00 . A A . 66 HIS HE1 1 1 25 30280 1 1 66 HIS N N 1.911 -9.392 2.334 1.00 . A A . 66 HIS N 1 1 25 30281 1 1 66 HIS ND1 N 3.811 -8.566 5.790 1.00 . A A . 66 HIS ND1 1 1 25 30282 1 1 66 HIS NE2 N 1.944 -7.685 6.581 1.00 . A A . 66 HIS NE2 1 1 25 30283 1 1 66 HIS O O 2.188 -12.261 2.223 1.00 . A A . 66 HIS O 1 1 25 30284 1 1 67 ILE C C 4.869 -14.113 1.779 1.00 . A A . 67 ILE C 1 1 25 30285 1 1 67 ILE CA C 4.382 -13.060 0.764 1.00 . A A . 67 ILE CA 1 1 25 30286 1 1 67 ILE CB C 5.270 -12.927 -0.491 1.00 . A A . 67 ILE CB 1 1 25 30287 1 1 67 ILE CD1 C 3.481 -11.623 -1.833 1.00 . A A . 67 ILE CD1 1 1 25 30288 1 1 67 ILE CG1 C 4.933 -11.682 -1.342 1.00 . A A . 67 ILE CG1 1 1 25 30289 1 1 67 ILE CG2 C 5.145 -14.185 -1.365 1.00 . A A . 67 ILE CG2 1 1 25 30290 1 1 67 ILE H H 4.971 -11.078 1.354 1.00 . A A . 67 ILE H 1 1 25 30291 1 1 67 ILE HA H 3.403 -13.393 0.417 1.00 . A A . 67 ILE HA 1 1 25 30292 1 1 67 ILE HB H 6.311 -12.825 -0.178 1.00 . A A . 67 ILE HB 1 1 25 30293 1 1 67 ILE HD11 H 2.786 -11.602 -0.994 1.00 . A A . 67 ILE HD11 1 1 25 30294 1 1 67 ILE HD12 H 3.343 -10.711 -2.415 1.00 . A A . 67 ILE HD12 1 1 25 30295 1 1 67 ILE HD13 H 3.255 -12.476 -2.472 1.00 . A A . 67 ILE HD13 1 1 25 30296 1 1 67 ILE HG12 H 5.143 -10.775 -0.773 1.00 . A A . 67 ILE HG12 1 1 25 30297 1 1 67 ILE HG13 H 5.587 -11.670 -2.214 1.00 . A A . 67 ILE HG13 1 1 25 30298 1 1 67 ILE HG21 H 5.667 -14.038 -2.310 1.00 . A A . 67 ILE HG21 1 1 25 30299 1 1 67 ILE HG22 H 5.584 -15.047 -0.867 1.00 . A A . 67 ILE HG22 1 1 25 30300 1 1 67 ILE HG23 H 4.096 -14.406 -1.561 1.00 . A A . 67 ILE HG23 1 1 25 30301 1 1 67 ILE N N 4.228 -11.765 1.425 1.00 . A A . 67 ILE N 1 1 25 30302 1 1 67 ILE O O 5.816 -14.850 1.520 1.00 . A A . 67 ILE O 1 1 25 30303 1 1 68 LYS C C 3.414 -14.633 5.140 1.00 . A A . 68 LYS C 1 1 25 30304 1 1 68 LYS CA C 4.397 -15.089 4.057 1.00 . A A . 68 LYS CA 1 1 25 30305 1 1 68 LYS CB C 5.850 -15.080 4.583 1.00 . A A . 68 LYS CB 1 1 25 30306 1 1 68 LYS CD C 5.941 -16.097 6.945 1.00 . A A . 68 LYS CD 1 1 25 30307 1 1 68 LYS CE C 5.367 -17.366 7.587 1.00 . A A . 68 LYS CE 1 1 25 30308 1 1 68 LYS CG C 6.191 -16.308 5.441 1.00 . A A . 68 LYS CG 1 1 25 30309 1 1 68 LYS H H 3.410 -13.553 3.054 1.00 . A A . 68 LYS H 1 1 25 30310 1 1 68 LYS HA H 4.127 -16.088 3.712 1.00 . A A . 68 LYS HA 1 1 25 30311 1 1 68 LYS HB2 H 6.549 -15.104 3.751 1.00 . A A . 68 LYS HB2 1 1 25 30312 1 1 68 LYS HB3 H 6.042 -14.170 5.145 1.00 . A A . 68 LYS HB3 1 1 25 30313 1 1 68 LYS HD2 H 6.893 -15.844 7.418 1.00 . A A . 68 LYS HD2 1 1 25 30314 1 1 68 LYS HD3 H 5.272 -15.256 7.119 1.00 . A A . 68 LYS HD3 1 1 25 30315 1 1 68 LYS HE2 H 5.946 -18.230 7.253 1.00 . A A . 68 LYS HE2 1 1 25 30316 1 1 68 LYS HE3 H 5.458 -17.294 8.672 1.00 . A A . 68 LYS HE3 1 1 25 30317 1 1 68 LYS HG2 H 5.648 -17.169 5.050 1.00 . A A . 68 LYS HG2 1 1 25 30318 1 1 68 LYS HG3 H 7.256 -16.515 5.314 1.00 . A A . 68 LYS HG3 1 1 25 30319 1 1 68 LYS HZ1 H 3.691 -16.906 6.479 1.00 . A A . 68 LYS HZ1 1 1 25 30320 1 1 68 LYS HZ2 H 3.735 -18.495 6.971 1.00 . A A . 68 LYS HZ2 1 1 25 30321 1 1 68 LYS HZ3 H 3.357 -17.270 8.010 1.00 . A A . 68 LYS HZ3 1 1 25 30322 1 1 68 LYS N N 4.204 -14.174 2.938 1.00 . A A . 68 LYS N 1 1 25 30323 1 1 68 LYS NZ N 3.943 -17.544 7.237 1.00 . A A . 68 LYS NZ 1 1 25 30324 1 1 68 LYS O O 3.036 -13.440 5.113 1.00 . A A . 68 LYS O 1 1 25 30325 1 1 68 LYS OXT O 3.064 -15.436 6.036 1.00 . A A . 68 LYS OXT 1 1 25 30326 2 2 1 HEC C1A C 7.482 7.963 -3.907 1.00 . B A . 69 HEC C1A 1 1 25 30327 2 2 1 HEC C1B C 4.851 9.238 -7.016 1.00 . B A . 69 HEC C1B 1 1 25 30328 2 2 1 HEC C1C C 1.986 6.333 -5.737 1.00 . B A . 69 HEC C1C 1 1 25 30329 2 2 1 HEC C1D C 4.382 5.550 -2.308 1.00 . B A . 69 HEC C1D 1 1 25 30330 2 2 1 HEC C2A C 8.559 8.872 -4.227 1.00 . B A . 69 HEC C2A 1 1 25 30331 2 2 1 HEC C2B C 4.153 9.686 -8.197 1.00 . B A . 69 HEC C2B 1 1 25 30332 2 2 1 HEC C2C C 0.841 5.565 -5.296 1.00 . B A . 69 HEC C2C 1 1 25 30333 2 2 1 HEC C2D C 5.117 5.111 -1.144 1.00 . B A . 69 HEC C2D 1 1 25 30334 2 2 1 HEC C3A C 8.106 9.683 -5.238 1.00 . B A . 69 HEC C3A 1 1 25 30335 2 2 1 HEC C3B C 3.022 8.912 -8.325 1.00 . B A . 69 HEC C3B 1 1 25 30336 2 2 1 HEC C3C C 1.095 5.124 -4.017 1.00 . B A . 69 HEC C3C 1 1 25 30337 2 2 1 HEC C3D C 6.402 5.570 -1.296 1.00 . B A . 69 HEC C3D 1 1 25 30338 2 2 1 HEC C4A C 6.777 9.236 -5.577 1.00 . B A . 69 HEC C4A 1 1 25 30339 2 2 1 HEC C4B C 3.036 7.959 -7.219 1.00 . B A . 69 HEC C4B 1 1 25 30340 2 2 1 HEC C4C C 2.443 5.543 -3.707 1.00 . B A . 69 HEC C4C 1 1 25 30341 2 2 1 HEC C4D C 6.420 6.366 -2.492 1.00 . B A . 69 HEC C4D 1 1 25 30342 2 2 1 HEC CAA C 9.902 8.976 -3.539 1.00 . B A . 69 HEC CAA 1 1 25 30343 2 2 1 HEC CAB C 1.969 9.082 -9.416 1.00 . B A . 69 HEC CAB 1 1 25 30344 2 2 1 HEC CAC C 0.127 4.417 -3.071 1.00 . B A . 69 HEC CAC 1 1 25 30345 2 2 1 HEC CAD C 7.577 5.406 -0.359 1.00 . B A . 69 HEC CAD 1 1 25 30346 2 2 1 HEC CBA C 11.045 8.303 -4.306 1.00 . B A . 69 HEC CBA 1 1 25 30347 2 2 1 HEC CBB C 2.518 8.864 -10.836 1.00 . B A . 69 HEC CBB 1 1 25 30348 2 2 1 HEC CBC C -0.226 2.986 -3.482 1.00 . B A . 69 HEC CBC 1 1 25 30349 2 2 1 HEC CBD C 8.673 4.463 -0.874 1.00 . B A . 69 HEC CBD 1 1 25 30350 2 2 1 HEC CGA C 12.374 8.408 -3.549 1.00 . B A . 69 HEC CGA 1 1 25 30351 2 2 1 HEC CGD C 9.966 4.680 -0.085 1.00 . B A . 69 HEC CGD 1 1 25 30352 2 2 1 HEC CHA C 7.523 7.065 -2.874 1.00 . B A . 69 HEC CHA 1 1 25 30353 2 2 1 HEC CHB C 6.050 9.777 -6.599 1.00 . B A . 69 HEC CHB 1 1 25 30354 2 2 1 HEC CHC C 2.030 7.040 -6.932 1.00 . B A . 69 HEC CHC 1 1 25 30355 2 2 1 HEC CHD C 3.087 5.192 -2.545 1.00 . B A . 69 HEC CHD 1 1 25 30356 2 2 1 HEC CMA C 8.879 10.782 -5.928 1.00 . B A . 69 HEC CMA 1 1 25 30357 2 2 1 HEC CMB C 4.647 10.726 -9.185 1.00 . B A . 69 HEC CMB 1 1 25 30358 2 2 1 HEC CMC C -0.459 5.430 -6.042 1.00 . B A . 69 HEC CMC 1 1 25 30359 2 2 1 HEC CMD C 4.562 4.300 0.003 1.00 . B A . 69 HEC CMD 1 1 25 30360 2 2 1 HEC FE FE 4.685 7.249 -4.808 1.00 . B A . 69 HEC FE 1 1 25 30361 2 2 1 HEC HAA1 H 10.158 10.023 -3.382 1.00 . B A . 69 HEC HAA1 1 1 25 30362 2 2 1 HEC HAA2 H 9.852 8.502 -2.565 1.00 . B A . 69 HEC HAA2 1 1 25 30363 2 2 1 HEC HAB H 1.158 8.376 -9.260 1.00 . B A . 69 HEC HAB 1 1 25 30364 2 2 1 HEC HAC H 0.550 4.350 -2.075 1.00 . B A . 69 HEC HAC 1 1 25 30365 2 2 1 HEC HAD1 H 8.021 6.381 -0.176 1.00 . B A . 69 HEC HAD1 1 1 25 30366 2 2 1 HEC HAD2 H 7.268 5.031 0.600 1.00 . B A . 69 HEC HAD2 1 1 25 30367 2 2 1 HEC HBA1 H 10.800 7.249 -4.446 1.00 . B A . 69 HEC HBA1 1 1 25 30368 2 2 1 HEC HBA2 H 11.140 8.771 -5.287 1.00 . B A . 69 HEC HBA2 1 1 25 30369 2 2 1 HEC HBB1 H 1.687 8.676 -11.518 1.00 . B A . 69 HEC HBB1 1 1 25 30370 2 2 1 HEC HBB2 H 3.050 9.746 -11.186 1.00 . B A . 69 HEC HBB2 1 1 25 30371 2 2 1 HEC HBB3 H 3.206 8.019 -10.866 1.00 . B A . 69 HEC HBB3 1 1 25 30372 2 2 1 HEC HBC1 H -0.796 2.501 -2.690 1.00 . B A . 69 HEC HBC1 1 1 25 30373 2 2 1 HEC HBC2 H -0.833 3.001 -4.381 1.00 . B A . 69 HEC HBC2 1 1 25 30374 2 2 1 HEC HBC3 H 0.680 2.407 -3.670 1.00 . B A . 69 HEC HBC3 1 1 25 30375 2 2 1 HEC HBD1 H 8.340 3.432 -0.770 1.00 . B A . 69 HEC HBD1 1 1 25 30376 2 2 1 HEC HBD2 H 8.862 4.663 -1.929 1.00 . B A . 69 HEC HBD2 1 1 25 30377 2 2 1 HEC HHA H 8.404 6.933 -2.272 1.00 . B A . 69 HEC HHA 1 1 25 30378 2 2 1 HEC HHB H 6.464 10.619 -7.112 1.00 . B A . 69 HEC HHB 1 1 25 30379 2 2 1 HEC HHC H 1.193 6.939 -7.593 1.00 . B A . 69 HEC HHC 1 1 25 30380 2 2 1 HEC HHD H 2.593 4.548 -1.844 1.00 . B A . 69 HEC HHD 1 1 25 30381 2 2 1 HEC HMA1 H 8.364 11.732 -5.793 1.00 . B A . 69 HEC HMA1 1 1 25 30382 2 2 1 HEC HMA2 H 9.886 10.862 -5.521 1.00 . B A . 69 HEC HMA2 1 1 25 30383 2 2 1 HEC HMA3 H 8.956 10.553 -6.991 1.00 . B A . 69 HEC HMA3 1 1 25 30384 2 2 1 HEC HMB1 H 5.205 10.225 -9.974 1.00 . B A . 69 HEC HMB1 1 1 25 30385 2 2 1 HEC HMB2 H 3.809 11.263 -9.622 1.00 . B A . 69 HEC HMB2 1 1 25 30386 2 2 1 HEC HMB3 H 5.285 11.465 -8.713 1.00 . B A . 69 HEC HMB3 1 1 25 30387 2 2 1 HEC HMC1 H -0.288 4.897 -6.969 1.00 . B A . 69 HEC HMC1 1 1 25 30388 2 2 1 HEC HMC2 H -1.210 4.894 -5.472 1.00 . B A . 69 HEC HMC2 1 1 25 30389 2 2 1 HEC HMC3 H -0.831 6.431 -6.238 1.00 . B A . 69 HEC HMC3 1 1 25 30390 2 2 1 HEC HMD1 H 3.559 4.648 0.248 1.00 . B A . 69 HEC HMD1 1 1 25 30391 2 2 1 HEC HMD2 H 4.513 3.254 -0.284 1.00 . B A . 69 HEC HMD2 1 1 25 30392 2 2 1 HEC HMD3 H 5.183 4.414 0.886 1.00 . B A . 69 HEC HMD3 1 1 25 30393 2 2 1 HEC NA N 6.442 8.223 -4.750 1.00 . B A . 69 HEC NA 1 1 25 30394 2 2 1 HEC NB N 4.158 8.206 -6.474 1.00 . B A . 69 HEC NB 1 1 25 30395 2 2 1 HEC NC N 2.916 6.296 -4.751 1.00 . B A . 69 HEC NC 1 1 25 30396 2 2 1 HEC ND N 5.199 6.330 -3.062 1.00 . B A . 69 HEC ND 1 1 25 30397 2 2 1 HEC O1A O 13.412 8.601 -4.215 1.00 . B A . 69 HEC O1A 1 1 25 30398 2 2 1 HEC O1D O 9.863 4.967 1.126 1.00 . B A . 69 HEC O1D 1 1 25 30399 2 2 1 HEC O2A O 12.336 8.289 -2.300 1.00 . B A . 69 HEC O2A 1 1 25 30400 2 2 1 HEC O2D O 11.051 4.709 -0.712 1.00 . B A . 69 HEC O2D 1 1 25 30401 3 2 1 HEC C1A C -2.411 -4.617 -4.634 1.00 . C A . 70 HEC C1A 1 1 25 30402 3 2 1 HEC C1B C -0.555 -2.471 -1.433 1.00 . C A . 70 HEC C1B 1 1 25 30403 3 2 1 HEC C1C C -3.341 0.753 -1.969 1.00 . C A . 70 HEC C1C 1 1 25 30404 3 2 1 HEC C1D C -5.228 -1.410 -5.148 1.00 . C A . 70 HEC C1D 1 1 25 30405 3 2 1 HEC C2A C -1.555 -5.779 -4.566 1.00 . C A . 70 HEC C2A 1 1 25 30406 3 2 1 HEC C2B C 0.067 -1.939 -0.243 1.00 . C A . 70 HEC C2B 1 1 25 30407 3 2 1 HEC C2C C -4.155 1.940 -2.080 1.00 . C A . 70 HEC C2C 1 1 25 30408 3 2 1 HEC C2D C -5.943 -2.011 -6.255 1.00 . C A . 70 HEC C2D 1 1 25 30409 3 2 1 HEC C3A C -0.585 -5.512 -3.632 1.00 . C A . 70 HEC C3A 1 1 25 30410 3 2 1 HEC C3B C -0.492 -0.705 -0.002 1.00 . C A . 70 HEC C3B 1 1 25 30411 3 2 1 HEC C3C C -5.159 1.662 -2.978 1.00 . C A . 70 HEC C3C 1 1 25 30412 3 2 1 HEC C3D C -5.323 -3.205 -6.536 1.00 . C A . 70 HEC C3D 1 1 25 30413 3 2 1 HEC C4A C -0.897 -4.234 -3.040 1.00 . C A . 70 HEC C4A 1 1 25 30414 3 2 1 HEC C4B C -1.523 -0.505 -1.002 1.00 . C A . 70 HEC C4B 1 1 25 30415 3 2 1 HEC C4C C -4.814 0.397 -3.596 1.00 . C A . 70 HEC C4C 1 1 25 30416 3 2 1 HEC C4D C -4.264 -3.374 -5.567 1.00 . C A . 70 HEC C4D 1 1 25 30417 3 2 1 HEC CAA C -1.727 -7.082 -5.316 1.00 . C A . 70 HEC CAA 1 1 25 30418 3 2 1 HEC CAB C -0.078 0.265 1.094 1.00 . C A . 70 HEC CAB 1 1 25 30419 3 2 1 HEC CAC C -6.502 2.384 -3.100 1.00 . C A . 70 HEC CAC 1 1 25 30420 3 2 1 HEC CAD C -5.677 -4.161 -7.660 1.00 . C A . 70 HEC CAD 1 1 25 30421 3 2 1 HEC CBA C -0.959 -7.156 -6.639 1.00 . C A . 70 HEC CBA 1 1 25 30422 3 2 1 HEC CBB C 1.421 0.585 1.053 1.00 . C A . 70 HEC CBB 1 1 25 30423 3 2 1 HEC CBC C -6.532 3.522 -4.120 1.00 . C A . 70 HEC CBC 1 1 25 30424 3 2 1 HEC CBD C -4.705 -4.123 -8.849 1.00 . C A . 70 HEC CBD 1 1 25 30425 3 2 1 HEC CGA C -1.188 -8.513 -7.313 1.00 . C A . 70 HEC CGA 1 1 25 30426 3 2 1 HEC CGD C -5.097 -3.106 -9.931 1.00 . C A . 70 HEC CGD 1 1 25 30427 3 2 1 HEC CHA C -3.447 -4.485 -5.530 1.00 . C A . 70 HEC CHA 1 1 25 30428 3 2 1 HEC CHB C -0.214 -3.693 -1.972 1.00 . C A . 70 HEC CHB 1 1 25 30429 3 2 1 HEC CHC C -2.327 0.619 -1.049 1.00 . C A . 70 HEC CHC 1 1 25 30430 3 2 1 HEC CHD C -5.546 -0.178 -4.610 1.00 . C A . 70 HEC CHD 1 1 25 30431 3 2 1 HEC CMA C 0.579 -6.404 -3.281 1.00 . C A . 70 HEC CMA 1 1 25 30432 3 2 1 HEC CMB C 1.053 -2.660 0.649 1.00 . C A . 70 HEC CMB 1 1 25 30433 3 2 1 HEC CMC C -3.914 3.252 -1.368 1.00 . C A . 70 HEC CMC 1 1 25 30434 3 2 1 HEC CMD C -7.105 -1.428 -7.028 1.00 . C A . 70 HEC CMD 1 1 25 30435 3 2 1 HEC FE FE -2.842 -1.927 -3.323 1.00 . C A . 70 HEC FE 1 1 25 30436 3 2 1 HEC HAA1 H -1.387 -7.905 -4.688 1.00 . C A . 70 HEC HAA1 1 1 25 30437 3 2 1 HEC HAA2 H -2.782 -7.256 -5.526 1.00 . C A . 70 HEC HAA2 1 1 25 30438 3 2 1 HEC HAB H -0.579 1.219 0.959 1.00 . C A . 70 HEC HAB 1 1 25 30439 3 2 1 HEC HAC H -7.260 1.654 -3.382 1.00 . C A . 70 HEC HAC 1 1 25 30440 3 2 1 HEC HAD1 H -5.679 -5.170 -7.252 1.00 . C A . 70 HEC HAD1 1 1 25 30441 3 2 1 HEC HAD2 H -6.679 -3.963 -8.036 1.00 . C A . 70 HEC HAD2 1 1 25 30442 3 2 1 HEC HBA1 H -1.299 -6.351 -7.293 1.00 . C A . 70 HEC HBA1 1 1 25 30443 3 2 1 HEC HBA2 H 0.105 -7.016 -6.445 1.00 . C A . 70 HEC HBA2 1 1 25 30444 3 2 1 HEC HBB1 H 1.625 1.468 1.653 1.00 . C A . 70 HEC HBB1 1 1 25 30445 3 2 1 HEC HBB2 H 2.007 -0.245 1.445 1.00 . C A . 70 HEC HBB2 1 1 25 30446 3 2 1 HEC HBB3 H 1.732 0.787 0.027 1.00 . C A . 70 HEC HBB3 1 1 25 30447 3 2 1 HEC HBC1 H -7.473 4.067 -4.043 1.00 . C A . 70 HEC HBC1 1 1 25 30448 3 2 1 HEC HBC2 H -5.709 4.216 -3.940 1.00 . C A . 70 HEC HBC2 1 1 25 30449 3 2 1 HEC HBC3 H -6.464 3.107 -5.119 1.00 . C A . 70 HEC HBC3 1 1 25 30450 3 2 1 HEC HBD1 H -3.693 -3.917 -8.497 1.00 . C A . 70 HEC HBD1 1 1 25 30451 3 2 1 HEC HBD2 H -4.702 -5.114 -9.305 1.00 . C A . 70 HEC HBD2 1 1 25 30452 3 2 1 HEC HHA H -3.592 -5.260 -6.261 1.00 . C A . 70 HEC HHA 1 1 25 30453 3 2 1 HEC HHB H 0.589 -4.259 -1.526 1.00 . C A . 70 HEC HHB 1 1 25 30454 3 2 1 HEC HHC H -2.211 1.394 -0.300 1.00 . C A . 70 HEC HHC 1 1 25 30455 3 2 1 HEC HHD H -6.364 0.382 -5.019 1.00 . C A . 70 HEC HHD 1 1 25 30456 3 2 1 HEC HMA1 H 1.480 -5.808 -3.144 1.00 . C A . 70 HEC HMA1 1 1 25 30457 3 2 1 HEC HMA2 H 0.346 -6.945 -2.368 1.00 . C A . 70 HEC HMA2 1 1 25 30458 3 2 1 HEC HMA3 H 0.759 -7.119 -4.083 1.00 . C A . 70 HEC HMA3 1 1 25 30459 3 2 1 HEC HMB1 H 0.855 -2.391 1.681 1.00 . C A . 70 HEC HMB1 1 1 25 30460 3 2 1 HEC HMB2 H 0.941 -3.739 0.568 1.00 . C A . 70 HEC HMB2 1 1 25 30461 3 2 1 HEC HMB3 H 2.070 -2.373 0.395 1.00 . C A . 70 HEC HMB3 1 1 25 30462 3 2 1 HEC HMC1 H -4.337 3.220 -0.369 1.00 . C A . 70 HEC HMC1 1 1 25 30463 3 2 1 HEC HMC2 H -2.845 3.448 -1.296 1.00 . C A . 70 HEC HMC2 1 1 25 30464 3 2 1 HEC HMC3 H -4.376 4.070 -1.918 1.00 . C A . 70 HEC HMC3 1 1 25 30465 3 2 1 HEC HMD1 H -7.846 -2.202 -7.223 1.00 . C A . 70 HEC HMD1 1 1 25 30466 3 2 1 HEC HMD2 H -7.599 -0.626 -6.487 1.00 . C A . 70 HEC HMD2 1 1 25 30467 3 2 1 HEC HMD3 H -6.728 -1.048 -7.979 1.00 . C A . 70 HEC HMD3 1 1 25 30468 3 2 1 HEC NA N -1.993 -3.728 -3.677 1.00 . C A . 70 HEC NA 1 1 25 30469 3 2 1 HEC NB N -1.530 -1.600 -1.829 1.00 . C A . 70 HEC NB 1 1 25 30470 3 2 1 HEC NC N -3.738 -0.123 -2.935 1.00 . C A . 70 HEC NC 1 1 25 30471 3 2 1 HEC ND N -4.239 -2.271 -4.765 1.00 . C A . 70 HEC ND 1 1 25 30472 3 2 1 HEC O1A O -0.489 -9.473 -6.921 1.00 . C A . 70 HEC O1A 1 1 25 30473 3 2 1 HEC O1D O -5.527 -3.550 -11.024 1.00 . C A . 70 HEC O1D 1 1 25 30474 3 2 1 HEC O2A O -2.101 -8.584 -8.166 1.00 . C A . 70 HEC O2A 1 1 25 30475 3 2 1 HEC O2D O -4.943 -1.889 -9.696 1.00 . C A . 70 HEC O2D 1 1 25 30476 4 2 1 HEC C1A C 2.860 -5.860 9.493 1.00 . D A . 71 HEC C1A 1 1 25 30477 4 2 1 HEC C1B C 0.003 -9.022 9.280 1.00 . D A . 71 HEC C1B 1 1 25 30478 4 2 1 HEC C1C C -1.517 -7.363 5.658 1.00 . D A . 71 HEC C1C 1 1 25 30479 4 2 1 HEC C1D C 1.492 -4.354 5.715 1.00 . D A . 71 HEC C1D 1 1 25 30480 4 2 1 HEC C2A C 3.484 -6.298 10.725 1.00 . D A . 71 HEC C2A 1 1 25 30481 4 2 1 HEC C2B C -0.931 -10.116 9.374 1.00 . D A . 71 HEC C2B 1 1 25 30482 4 2 1 HEC C2C C -2.082 -7.022 4.377 1.00 . D A . 71 HEC C2C 1 1 25 30483 4 2 1 HEC C2D C 2.468 -3.292 5.605 1.00 . D A . 71 HEC C2D 1 1 25 30484 4 2 1 HEC C3A C 2.811 -7.421 11.134 1.00 . D A . 71 HEC C3A 1 1 25 30485 4 2 1 HEC C3B C -1.847 -9.951 8.363 1.00 . D A . 71 HEC C3B 1 1 25 30486 4 2 1 HEC C3C C -1.378 -5.941 3.894 1.00 . D A . 71 HEC C3C 1 1 25 30487 4 2 1 HEC C3D C 3.207 -3.306 6.757 1.00 . D A . 71 HEC C3D 1 1 25 30488 4 2 1 HEC C4A C 1.799 -7.697 10.147 1.00 . D A . 71 HEC C4A 1 1 25 30489 4 2 1 HEC C4B C -1.362 -8.857 7.543 1.00 . D A . 71 HEC C4B 1 1 25 30490 4 2 1 HEC C4C C -0.356 -5.647 4.884 1.00 . D A . 71 HEC C4C 1 1 25 30491 4 2 1 HEC C4D C 2.728 -4.405 7.565 1.00 . D A . 71 HEC C4D 1 1 25 30492 4 2 1 HEC CAA C 4.676 -5.689 11.432 1.00 . D A . 71 HEC CAA 1 1 25 30493 4 2 1 HEC CAB C -3.226 -10.591 8.286 1.00 . D A . 71 HEC CAB 1 1 25 30494 4 2 1 HEC CAC C -1.590 -5.228 2.562 1.00 . D A . 71 HEC CAC 1 1 25 30495 4 2 1 HEC CAD C 4.368 -2.383 7.044 1.00 . D A . 71 HEC CAD 1 1 25 30496 4 2 1 HEC CBA C 5.975 -6.480 11.224 1.00 . D A . 71 HEC CBA 1 1 25 30497 4 2 1 HEC CBB C -4.057 -10.396 9.559 1.00 . D A . 71 HEC CBB 1 1 25 30498 4 2 1 HEC CBC C -2.926 -4.500 2.444 1.00 . D A . 71 HEC CBC 1 1 25 30499 4 2 1 HEC CBD C 5.705 -2.938 6.553 1.00 . D A . 71 HEC CBD 1 1 25 30500 4 2 1 HEC CGA C 7.163 -5.867 11.975 1.00 . D A . 71 HEC CGA 1 1 25 30501 4 2 1 HEC CGD C 6.069 -4.180 7.360 1.00 . D A . 71 HEC CGD 1 1 25 30502 4 2 1 HEC CHA C 3.276 -4.773 8.770 1.00 . D A . 71 HEC CHA 1 1 25 30503 4 2 1 HEC CHB C 0.968 -8.786 10.223 1.00 . D A . 71 HEC CHB 1 1 25 30504 4 2 1 HEC CHC C -1.969 -8.429 6.387 1.00 . D A . 71 HEC CHC 1 1 25 30505 4 2 1 HEC CHD C 0.566 -4.636 4.742 1.00 . D A . 71 HEC CHD 1 1 25 30506 4 2 1 HEC CMA C 3.099 -8.251 12.365 1.00 . D A . 71 HEC CMA 1 1 25 30507 4 2 1 HEC CMB C -0.931 -11.182 10.446 1.00 . D A . 71 HEC CMB 1 1 25 30508 4 2 1 HEC CMC C -3.153 -7.834 3.680 1.00 . D A . 71 HEC CMC 1 1 25 30509 4 2 1 HEC CMD C 2.741 -2.378 4.429 1.00 . D A . 71 HEC CMD 1 1 25 30510 4 2 1 HEC FE FE 0.683 -6.626 7.597 1.00 . D A . 71 HEC FE 1 1 25 30511 4 2 1 HEC HAA1 H 4.866 -4.678 11.082 1.00 . D A . 71 HEC HAA1 1 1 25 30512 4 2 1 HEC HAA2 H 4.467 -5.627 12.499 1.00 . D A . 71 HEC HAA2 1 1 25 30513 4 2 1 HEC HAB H -3.800 -10.101 7.510 1.00 . D A . 71 HEC HAB 1 1 25 30514 4 2 1 HEC HAC H -0.837 -4.462 2.409 1.00 . D A . 71 HEC HAC 1 1 25 30515 4 2 1 HEC HAD1 H 4.198 -1.415 6.575 1.00 . D A . 71 HEC HAD1 1 1 25 30516 4 2 1 HEC HAD2 H 4.461 -2.248 8.116 1.00 . D A . 71 HEC HAD2 1 1 25 30517 4 2 1 HEC HBA1 H 5.831 -7.502 11.575 1.00 . D A . 71 HEC HBA1 1 1 25 30518 4 2 1 HEC HBA2 H 6.199 -6.512 10.157 1.00 . D A . 71 HEC HBA2 1 1 25 30519 4 2 1 HEC HBB1 H -4.112 -9.336 9.805 1.00 . D A . 71 HEC HBB1 1 1 25 30520 4 2 1 HEC HBB2 H -5.068 -10.771 9.393 1.00 . D A . 71 HEC HBB2 1 1 25 30521 4 2 1 HEC HBB3 H -3.625 -10.936 10.400 1.00 . D A . 71 HEC HBB3 1 1 25 30522 4 2 1 HEC HBC1 H -3.763 -5.190 2.539 1.00 . D A . 71 HEC HBC1 1 1 25 30523 4 2 1 HEC HBC2 H -2.973 -3.749 3.227 1.00 . D A . 71 HEC HBC2 1 1 25 30524 4 2 1 HEC HBC3 H -2.974 -3.993 1.480 1.00 . D A . 71 HEC HBC3 1 1 25 30525 4 2 1 HEC HBD1 H 5.623 -3.185 5.496 1.00 . D A . 71 HEC HBD1 1 1 25 30526 4 2 1 HEC HBD2 H 6.475 -2.176 6.682 1.00 . D A . 71 HEC HBD2 1 1 25 30527 4 2 1 HEC HHA H 4.168 -4.271 9.088 1.00 . D A . 71 HEC HHA 1 1 25 30528 4 2 1 HEC HHB H 1.052 -9.443 11.068 1.00 . D A . 71 HEC HHB 1 1 25 30529 4 2 1 HEC HHC H -2.804 -8.968 5.995 1.00 . D A . 71 HEC HHC 1 1 25 30530 4 2 1 HEC HHD H 0.569 -4.050 3.844 1.00 . D A . 71 HEC HHD 1 1 25 30531 4 2 1 HEC HMA1 H 2.203 -8.310 12.980 1.00 . D A . 71 HEC HMA1 1 1 25 30532 4 2 1 HEC HMA2 H 3.407 -9.251 12.063 1.00 . D A . 71 HEC HMA2 1 1 25 30533 4 2 1 HEC HMA3 H 3.899 -7.805 12.954 1.00 . D A . 71 HEC HMA3 1 1 25 30534 4 2 1 HEC HMB1 H 0.080 -11.555 10.597 1.00 . D A . 71 HEC HMB1 1 1 25 30535 4 2 1 HEC HMB2 H -1.303 -10.758 11.379 1.00 . D A . 71 HEC HMB2 1 1 25 30536 4 2 1 HEC HMB3 H -1.562 -12.019 10.153 1.00 . D A . 71 HEC HMB3 1 1 25 30537 4 2 1 HEC HMC1 H -4.072 -7.803 4.267 1.00 . D A . 71 HEC HMC1 1 1 25 30538 4 2 1 HEC HMC2 H -3.353 -7.459 2.681 1.00 . D A . 71 HEC HMC2 1 1 25 30539 4 2 1 HEC HMC3 H -2.813 -8.870 3.611 1.00 . D A . 71 HEC HMC3 1 1 25 30540 4 2 1 HEC HMD1 H 2.164 -2.635 3.550 1.00 . D A . 71 HEC HMD1 1 1 25 30541 4 2 1 HEC HMD2 H 2.545 -1.340 4.684 1.00 . D A . 71 HEC HMD2 1 1 25 30542 4 2 1 HEC HMD3 H 3.796 -2.462 4.187 1.00 . D A . 71 HEC HMD3 1 1 25 30543 4 2 1 HEC NA N 1.851 -6.735 9.197 1.00 . D A . 71 HEC NA 1 1 25 30544 4 2 1 HEC NB N -0.279 -8.315 8.158 1.00 . D A . 71 HEC NB 1 1 25 30545 4 2 1 HEC NC N -0.495 -6.533 5.924 1.00 . D A . 71 HEC NC 1 1 25 30546 4 2 1 HEC ND N 1.680 -4.982 6.916 1.00 . D A . 71 HEC ND 1 1 25 30547 4 2 1 HEC O1A O 6.937 -4.846 12.677 1.00 . D A . 71 HEC O1A 1 1 25 30548 4 2 1 HEC O1D O 6.546 -4.000 8.502 1.00 . D A . 71 HEC O1D 1 1 25 30549 4 2 1 HEC O2A O 8.263 -6.458 11.886 1.00 . D A . 71 HEC O2A 1 1 25 30550 4 2 1 HEC O2D O 5.734 -5.286 6.887 1.00 . D A . 71 HEC O2D 1 1 26 30551 1 1 1 ALA C C 8.754 2.576 -8.101 1.00 . A A . 1 ALA C 1 1 26 30552 1 1 1 ALA CA C 9.843 3.564 -7.707 1.00 . A A . 1 ALA CA 1 1 26 30553 1 1 1 ALA CB C 11.044 2.834 -7.103 1.00 . A A . 1 ALA CB 1 1 26 30554 1 1 1 ALA H1 H 8.868 4.009 -5.970 1.00 . A A . 1 ALA H1 1 1 26 30555 1 1 1 ALA H2 H 9.970 5.178 -6.419 1.00 . A A . 1 ALA H2 1 1 26 30556 1 1 1 ALA H3 H 8.539 5.062 -7.179 1.00 . A A . 1 ALA H3 1 1 26 30557 1 1 1 ALA HA H 10.172 4.115 -8.590 1.00 . A A . 1 ALA HA 1 1 26 30558 1 1 1 ALA HB1 H 11.457 2.136 -7.832 1.00 . A A . 1 ALA HB1 1 1 26 30559 1 1 1 ALA HB2 H 11.815 3.556 -6.828 1.00 . A A . 1 ALA HB2 1 1 26 30560 1 1 1 ALA HB3 H 10.739 2.279 -6.215 1.00 . A A . 1 ALA HB3 1 1 26 30561 1 1 1 ALA N N 9.265 4.517 -6.746 1.00 . A A . 1 ALA N 1 1 26 30562 1 1 1 ALA O O 7.870 2.324 -7.287 1.00 . A A . 1 ALA O 1 1 26 30563 1 1 2 ASP C C 7.928 -0.242 -9.202 1.00 . A A . 2 ASP C 1 1 26 30564 1 1 2 ASP CA C 7.772 1.141 -9.843 1.00 . A A . 2 ASP CA 1 1 26 30565 1 1 2 ASP CB C 7.802 1.131 -11.383 1.00 . A A . 2 ASP CB 1 1 26 30566 1 1 2 ASP CG C 9.174 0.924 -12.014 1.00 . A A . 2 ASP CG 1 1 26 30567 1 1 2 ASP H H 9.547 2.212 -9.971 1.00 . A A . 2 ASP H 1 1 26 30568 1 1 2 ASP HA H 6.786 1.513 -9.567 1.00 . A A . 2 ASP HA 1 1 26 30569 1 1 2 ASP HB2 H 7.131 0.351 -11.746 1.00 . A A . 2 ASP HB2 1 1 26 30570 1 1 2 ASP HB3 H 7.456 2.095 -11.746 1.00 . A A . 2 ASP HB3 1 1 26 30571 1 1 2 ASP N N 8.767 2.062 -9.327 1.00 . A A . 2 ASP N 1 1 26 30572 1 1 2 ASP O O 8.475 -1.162 -9.801 1.00 . A A . 2 ASP O 1 1 26 30573 1 1 2 ASP OD1 O 10.139 1.520 -11.481 1.00 . A A . 2 ASP OD1 1 1 26 30574 1 1 2 ASP OD2 O 9.207 0.273 -13.080 1.00 . A A . 2 ASP OD2 1 1 26 30575 1 1 3 VAL C C 8.455 -1.346 -6.049 1.00 . A A . 3 VAL C 1 1 26 30576 1 1 3 VAL CA C 7.322 -1.487 -7.071 1.00 . A A . 3 VAL CA 1 1 26 30577 1 1 3 VAL CB C 7.308 -2.873 -7.757 1.00 . A A . 3 VAL CB 1 1 26 30578 1 1 3 VAL CG1 C 7.152 -3.990 -6.713 1.00 . A A . 3 VAL CG1 1 1 26 30579 1 1 3 VAL CG2 C 6.152 -3.029 -8.760 1.00 . A A . 3 VAL CG2 1 1 26 30580 1 1 3 VAL H H 7.140 0.546 -7.567 1.00 . A A . 3 VAL H 1 1 26 30581 1 1 3 VAL HA H 6.374 -1.381 -6.545 1.00 . A A . 3 VAL HA 1 1 26 30582 1 1 3 VAL HB H 8.255 -3.043 -8.269 1.00 . A A . 3 VAL HB 1 1 26 30583 1 1 3 VAL HG11 H 6.245 -3.838 -6.127 1.00 . A A . 3 VAL HG11 1 1 26 30584 1 1 3 VAL HG12 H 7.084 -4.956 -7.215 1.00 . A A . 3 VAL HG12 1 1 26 30585 1 1 3 VAL HG13 H 8.011 -4.017 -6.043 1.00 . A A . 3 VAL HG13 1 1 26 30586 1 1 3 VAL HG21 H 5.200 -3.036 -8.236 1.00 . A A . 3 VAL HG21 1 1 26 30587 1 1 3 VAL HG22 H 6.140 -2.228 -9.496 1.00 . A A . 3 VAL HG22 1 1 26 30588 1 1 3 VAL HG23 H 6.262 -3.976 -9.289 1.00 . A A . 3 VAL HG23 1 1 26 30589 1 1 3 VAL N N 7.384 -0.345 -7.983 1.00 . A A . 3 VAL N 1 1 26 30590 1 1 3 VAL O O 9.590 -1.047 -6.416 1.00 . A A . 3 VAL O 1 1 26 30591 1 1 4 VAL C C 8.852 -2.715 -2.786 1.00 . A A . 4 VAL C 1 1 26 30592 1 1 4 VAL CA C 9.106 -1.496 -3.666 1.00 . A A . 4 VAL CA 1 1 26 30593 1 1 4 VAL CB C 8.984 -0.164 -2.903 1.00 . A A . 4 VAL CB 1 1 26 30594 1 1 4 VAL CG1 C 9.812 -0.121 -1.607 1.00 . A A . 4 VAL CG1 1 1 26 30595 1 1 4 VAL CG2 C 9.442 1.002 -3.782 1.00 . A A . 4 VAL CG2 1 1 26 30596 1 1 4 VAL H H 7.185 -1.782 -4.520 1.00 . A A . 4 VAL H 1 1 26 30597 1 1 4 VAL HA H 10.129 -1.568 -4.015 1.00 . A A . 4 VAL HA 1 1 26 30598 1 1 4 VAL HB H 7.934 -0.010 -2.674 1.00 . A A . 4 VAL HB 1 1 26 30599 1 1 4 VAL HG11 H 10.853 -0.372 -1.815 1.00 . A A . 4 VAL HG11 1 1 26 30600 1 1 4 VAL HG12 H 9.773 0.876 -1.169 1.00 . A A . 4 VAL HG12 1 1 26 30601 1 1 4 VAL HG13 H 9.423 -0.820 -0.868 1.00 . A A . 4 VAL HG13 1 1 26 30602 1 1 4 VAL HG21 H 10.480 0.848 -4.077 1.00 . A A . 4 VAL HG21 1 1 26 30603 1 1 4 VAL HG22 H 8.815 1.077 -4.669 1.00 . A A . 4 VAL HG22 1 1 26 30604 1 1 4 VAL HG23 H 9.361 1.931 -3.220 1.00 . A A . 4 VAL HG23 1 1 26 30605 1 1 4 VAL N N 8.142 -1.526 -4.764 1.00 . A A . 4 VAL N 1 1 26 30606 1 1 4 VAL O O 7.816 -3.370 -2.920 1.00 . A A . 4 VAL O 1 1 26 30607 1 1 5 THR C C 9.900 -3.033 0.586 1.00 . A A . 5 THR C 1 1 26 30608 1 1 5 THR CA C 9.440 -3.751 -0.677 1.00 . A A . 5 THR CA 1 1 26 30609 1 1 5 THR CB C 9.967 -5.191 -0.725 1.00 . A A . 5 THR CB 1 1 26 30610 1 1 5 THR CG2 C 11.491 -5.296 -0.826 1.00 . A A . 5 THR CG2 1 1 26 30611 1 1 5 THR H H 10.634 -2.480 -1.824 1.00 . A A . 5 THR H 1 1 26 30612 1 1 5 THR HA H 8.355 -3.736 -0.621 1.00 . A A . 5 THR HA 1 1 26 30613 1 1 5 THR HB H 9.523 -5.697 -1.583 1.00 . A A . 5 THR HB 1 1 26 30614 1 1 5 THR HG1 H 8.639 -5.502 0.589 1.00 . A A . 5 THR HG1 1 1 26 30615 1 1 5 THR HG21 H 11.779 -6.348 -0.848 1.00 . A A . 5 THR HG21 1 1 26 30616 1 1 5 THR HG22 H 11.842 -4.817 -1.741 1.00 . A A . 5 THR HG22 1 1 26 30617 1 1 5 THR HG23 H 11.969 -4.825 0.032 1.00 . A A . 5 THR HG23 1 1 26 30618 1 1 5 THR N N 9.782 -3.019 -1.874 1.00 . A A . 5 THR N 1 1 26 30619 1 1 5 THR O O 10.957 -2.407 0.603 1.00 . A A . 5 THR O 1 1 26 30620 1 1 5 THR OG1 O 9.539 -5.822 0.460 1.00 . A A . 5 THR OG1 1 1 26 30621 1 1 6 TYR C C 10.493 -3.743 3.594 1.00 . A A . 6 TYR C 1 1 26 30622 1 1 6 TYR CA C 9.482 -2.766 2.990 1.00 . A A . 6 TYR CA 1 1 26 30623 1 1 6 TYR CB C 8.255 -2.659 3.904 1.00 . A A . 6 TYR CB 1 1 26 30624 1 1 6 TYR CD1 C 7.758 -0.212 3.481 1.00 . A A . 6 TYR CD1 1 1 26 30625 1 1 6 TYR CD2 C 6.016 -1.855 3.067 1.00 . A A . 6 TYR CD2 1 1 26 30626 1 1 6 TYR CE1 C 6.953 0.783 2.902 1.00 . A A . 6 TYR CE1 1 1 26 30627 1 1 6 TYR CE2 C 5.197 -0.856 2.524 1.00 . A A . 6 TYR CE2 1 1 26 30628 1 1 6 TYR CG C 7.305 -1.543 3.526 1.00 . A A . 6 TYR CG 1 1 26 30629 1 1 6 TYR CZ C 5.655 0.469 2.468 1.00 . A A . 6 TYR CZ 1 1 26 30630 1 1 6 TYR H H 8.199 -3.615 1.506 1.00 . A A . 6 TYR H 1 1 26 30631 1 1 6 TYR HA H 9.945 -1.787 2.937 1.00 . A A . 6 TYR HA 1 1 26 30632 1 1 6 TYR HB2 H 7.733 -3.616 3.903 1.00 . A A . 6 TYR HB2 1 1 26 30633 1 1 6 TYR HB3 H 8.588 -2.470 4.924 1.00 . A A . 6 TYR HB3 1 1 26 30634 1 1 6 TYR HD1 H 8.765 0.031 3.786 1.00 . A A . 6 TYR HD1 1 1 26 30635 1 1 6 TYR HD2 H 5.691 -2.879 3.046 1.00 . A A . 6 TYR HD2 1 1 26 30636 1 1 6 TYR HE1 H 7.399 1.725 2.617 1.00 . A A . 6 TYR HE1 1 1 26 30637 1 1 6 TYR HE2 H 4.296 -1.135 2.001 1.00 . A A . 6 TYR HE2 1 1 26 30638 1 1 6 TYR HH H 4.548 0.921 0.965 1.00 . A A . 6 TYR HH 1 1 26 30639 1 1 6 TYR N N 9.089 -3.154 1.643 1.00 . A A . 6 TYR N 1 1 26 30640 1 1 6 TYR O O 11.193 -3.381 4.534 1.00 . A A . 6 TYR O 1 1 26 30641 1 1 6 TYR OH O 4.979 1.364 1.701 1.00 . A A . 6 TYR OH 1 1 26 30642 1 1 7 GLU C C 11.154 -6.251 5.177 1.00 . A A . 7 GLU C 1 1 26 30643 1 1 7 GLU CA C 11.363 -6.057 3.666 1.00 . A A . 7 GLU CA 1 1 26 30644 1 1 7 GLU CB C 12.815 -5.767 3.329 1.00 . A A . 7 GLU CB 1 1 26 30645 1 1 7 GLU CD C 15.158 -6.653 3.027 1.00 . A A . 7 GLU CD 1 1 26 30646 1 1 7 GLU CG C 13.699 -7.019 3.265 1.00 . A A . 7 GLU CG 1 1 26 30647 1 1 7 GLU H H 10.012 -5.211 2.264 1.00 . A A . 7 GLU H 1 1 26 30648 1 1 7 GLU HA H 11.084 -6.963 3.141 1.00 . A A . 7 GLU HA 1 1 26 30649 1 1 7 GLU HB2 H 12.839 -5.284 2.357 1.00 . A A . 7 GLU HB2 1 1 26 30650 1 1 7 GLU HB3 H 13.166 -5.085 4.097 1.00 . A A . 7 GLU HB3 1 1 26 30651 1 1 7 GLU HG2 H 13.634 -7.577 4.198 1.00 . A A . 7 GLU HG2 1 1 26 30652 1 1 7 GLU HG3 H 13.370 -7.657 2.446 1.00 . A A . 7 GLU HG3 1 1 26 30653 1 1 7 GLU N N 10.522 -4.996 3.115 1.00 . A A . 7 GLU N 1 1 26 30654 1 1 7 GLU O O 12.037 -6.679 5.917 1.00 . A A . 7 GLU O 1 1 26 30655 1 1 7 GLU OE1 O 15.434 -6.129 1.926 1.00 . A A . 7 GLU OE1 1 1 26 30656 1 1 7 GLU OE2 O 15.966 -6.899 3.949 1.00 . A A . 7 GLU OE2 1 1 26 30657 1 1 8 ASN C C 9.727 -7.558 7.429 1.00 . A A . 8 ASN C 1 1 26 30658 1 1 8 ASN CA C 9.542 -6.102 7.021 1.00 . A A . 8 ASN CA 1 1 26 30659 1 1 8 ASN CB C 8.096 -5.654 7.247 1.00 . A A . 8 ASN CB 1 1 26 30660 1 1 8 ASN CG C 7.121 -6.615 6.586 1.00 . A A . 8 ASN CG 1 1 26 30661 1 1 8 ASN H H 9.311 -5.582 4.955 1.00 . A A . 8 ASN H 1 1 26 30662 1 1 8 ASN HA H 10.192 -5.468 7.626 1.00 . A A . 8 ASN HA 1 1 26 30663 1 1 8 ASN HB2 H 7.893 -5.647 8.319 1.00 . A A . 8 ASN HB2 1 1 26 30664 1 1 8 ASN HB3 H 7.974 -4.641 6.863 1.00 . A A . 8 ASN HB3 1 1 26 30665 1 1 8 ASN HD21 H 6.867 -5.393 4.985 1.00 . A A . 8 ASN HD21 1 1 26 30666 1 1 8 ASN HD22 H 6.183 -7.025 4.866 1.00 . A A . 8 ASN HD22 1 1 26 30667 1 1 8 ASN N N 9.945 -5.941 5.635 1.00 . A A . 8 ASN N 1 1 26 30668 1 1 8 ASN ND2 N 6.704 -6.313 5.365 1.00 . A A . 8 ASN ND2 1 1 26 30669 1 1 8 ASN O O 9.637 -8.469 6.598 1.00 . A A . 8 ASN O 1 1 26 30670 1 1 8 ASN OD1 O 6.774 -7.654 7.141 1.00 . A A . 8 ASN OD1 1 1 26 30671 1 1 9 LYS C C 9.420 -10.079 9.263 1.00 . A A . 9 LYS C 1 1 26 30672 1 1 9 LYS CA C 10.530 -9.029 9.189 1.00 . A A . 9 LYS CA 1 1 26 30673 1 1 9 LYS CB C 11.239 -8.845 10.539 1.00 . A A . 9 LYS CB 1 1 26 30674 1 1 9 LYS CD C 13.243 -7.664 11.607 1.00 . A A . 9 LYS CD 1 1 26 30675 1 1 9 LYS CE C 14.409 -8.560 11.159 1.00 . A A . 9 LYS CE 1 1 26 30676 1 1 9 LYS CG C 12.148 -7.603 10.533 1.00 . A A . 9 LYS CG 1 1 26 30677 1 1 9 LYS H H 9.998 -6.971 9.342 1.00 . A A . 9 LYS H 1 1 26 30678 1 1 9 LYS HA H 11.260 -9.344 8.441 1.00 . A A . 9 LYS HA 1 1 26 30679 1 1 9 LYS HB2 H 10.500 -8.732 11.334 1.00 . A A . 9 LYS HB2 1 1 26 30680 1 1 9 LYS HB3 H 11.816 -9.747 10.734 1.00 . A A . 9 LYS HB3 1 1 26 30681 1 1 9 LYS HD2 H 13.610 -6.645 11.760 1.00 . A A . 9 LYS HD2 1 1 26 30682 1 1 9 LYS HD3 H 12.805 -8.019 12.543 1.00 . A A . 9 LYS HD3 1 1 26 30683 1 1 9 LYS HE2 H 14.058 -9.582 11.009 1.00 . A A . 9 LYS HE2 1 1 26 30684 1 1 9 LYS HE3 H 14.799 -8.189 10.208 1.00 . A A . 9 LYS HE3 1 1 26 30685 1 1 9 LYS HG2 H 12.604 -7.477 9.549 1.00 . A A . 9 LYS HG2 1 1 26 30686 1 1 9 LYS HG3 H 11.525 -6.729 10.732 1.00 . A A . 9 LYS HG3 1 1 26 30687 1 1 9 LYS HZ1 H 15.871 -7.643 12.282 1.00 . A A . 9 LYS HZ1 1 1 26 30688 1 1 9 LYS HZ2 H 15.187 -8.945 13.027 1.00 . A A . 9 LYS HZ2 1 1 26 30689 1 1 9 LYS HZ3 H 16.260 -9.164 11.801 1.00 . A A . 9 LYS HZ3 1 1 26 30690 1 1 9 LYS N N 10.011 -7.761 8.714 1.00 . A A . 9 LYS N 1 1 26 30691 1 1 9 LYS NZ N 15.511 -8.577 12.143 1.00 . A A . 9 LYS NZ 1 1 26 30692 1 1 9 LYS O O 9.654 -11.256 9.004 1.00 . A A . 9 LYS O 1 1 26 30693 1 1 10 LYS C C 6.901 -11.136 8.170 1.00 . A A . 10 LYS C 1 1 26 30694 1 1 10 LYS CA C 6.982 -10.421 9.519 1.00 . A A . 10 LYS CA 1 1 26 30695 1 1 10 LYS CB C 5.795 -9.473 9.769 1.00 . A A . 10 LYS CB 1 1 26 30696 1 1 10 LYS CD C 3.576 -10.805 9.961 1.00 . A A . 10 LYS CD 1 1 26 30697 1 1 10 LYS CE C 4.035 -12.268 9.968 1.00 . A A . 10 LYS CE 1 1 26 30698 1 1 10 LYS CG C 4.433 -9.822 9.152 1.00 . A A . 10 LYS CG 1 1 26 30699 1 1 10 LYS H H 8.114 -8.653 9.816 1.00 . A A . 10 LYS H 1 1 26 30700 1 1 10 LYS HA H 6.999 -11.175 10.306 1.00 . A A . 10 LYS HA 1 1 26 30701 1 1 10 LYS HB2 H 5.681 -9.343 10.845 1.00 . A A . 10 LYS HB2 1 1 26 30702 1 1 10 LYS HB3 H 6.054 -8.500 9.354 1.00 . A A . 10 LYS HB3 1 1 26 30703 1 1 10 LYS HD2 H 3.536 -10.452 10.994 1.00 . A A . 10 LYS HD2 1 1 26 30704 1 1 10 LYS HD3 H 2.564 -10.763 9.557 1.00 . A A . 10 LYS HD3 1 1 26 30705 1 1 10 LYS HE2 H 5.030 -12.352 10.408 1.00 . A A . 10 LYS HE2 1 1 26 30706 1 1 10 LYS HE3 H 3.349 -12.830 10.601 1.00 . A A . 10 LYS HE3 1 1 26 30707 1 1 10 LYS HG2 H 3.885 -8.876 9.142 1.00 . A A . 10 LYS HG2 1 1 26 30708 1 1 10 LYS HG3 H 4.521 -10.116 8.108 1.00 . A A . 10 LYS HG3 1 1 26 30709 1 1 10 LYS HZ1 H 4.119 -13.870 8.694 1.00 . A A . 10 LYS HZ1 1 1 26 30710 1 1 10 LYS HZ2 H 3.197 -12.627 8.107 1.00 . A A . 10 LYS HZ2 1 1 26 30711 1 1 10 LYS HZ3 H 4.855 -12.542 8.120 1.00 . A A . 10 LYS HZ3 1 1 26 30712 1 1 10 LYS N N 8.205 -9.634 9.599 1.00 . A A . 10 LYS N 1 1 26 30713 1 1 10 LYS NZ N 4.032 -12.868 8.620 1.00 . A A . 10 LYS NZ 1 1 26 30714 1 1 10 LYS O O 6.538 -12.311 8.109 1.00 . A A . 10 LYS O 1 1 26 30715 1 1 11 GLY C C 7.215 -9.852 4.760 1.00 . A A . 11 GLY C 1 1 26 30716 1 1 11 GLY CA C 7.133 -10.999 5.747 1.00 . A A . 11 GLY CA 1 1 26 30717 1 1 11 GLY H H 7.378 -9.437 7.160 1.00 . A A . 11 GLY H 1 1 26 30718 1 1 11 GLY HA2 H 7.977 -11.680 5.627 1.00 . A A . 11 GLY HA2 1 1 26 30719 1 1 11 GLY HA3 H 6.205 -11.546 5.582 1.00 . A A . 11 GLY HA3 1 1 26 30720 1 1 11 GLY N N 7.157 -10.427 7.076 1.00 . A A . 11 GLY N 1 1 26 30721 1 1 11 GLY O O 6.289 -9.041 4.704 1.00 . A A . 11 GLY O 1 1 26 30722 1 1 12 ASN C C 7.388 -8.422 2.240 1.00 . A A . 12 ASN C 1 1 26 30723 1 1 12 ASN CA C 8.642 -8.737 3.059 1.00 . A A . 12 ASN CA 1 1 26 30724 1 1 12 ASN CB C 9.768 -9.204 2.133 1.00 . A A . 12 ASN CB 1 1 26 30725 1 1 12 ASN CG C 11.068 -9.619 2.831 1.00 . A A . 12 ASN CG 1 1 26 30726 1 1 12 ASN H H 9.027 -10.491 4.183 1.00 . A A . 12 ASN H 1 1 26 30727 1 1 12 ASN HA H 9.009 -7.836 3.565 1.00 . A A . 12 ASN HA 1 1 26 30728 1 1 12 ASN HB2 H 9.386 -10.042 1.558 1.00 . A A . 12 ASN HB2 1 1 26 30729 1 1 12 ASN HB3 H 10.002 -8.402 1.433 1.00 . A A . 12 ASN HB3 1 1 26 30730 1 1 12 ASN HD21 H 10.519 -8.942 4.722 1.00 . A A . 12 ASN HD21 1 1 26 30731 1 1 12 ASN HD22 H 12.135 -9.569 4.528 1.00 . A A . 12 ASN HD22 1 1 26 30732 1 1 12 ASN N N 8.331 -9.774 4.034 1.00 . A A . 12 ASN N 1 1 26 30733 1 1 12 ASN ND2 N 11.224 -9.376 4.135 1.00 . A A . 12 ASN ND2 1 1 26 30734 1 1 12 ASN O O 6.927 -9.230 1.435 1.00 . A A . 12 ASN O 1 1 26 30735 1 1 12 ASN OD1 O 11.949 -10.174 2.187 1.00 . A A . 12 ASN OD1 1 1 26 30736 1 1 13 VAL C C 6.247 -6.160 0.490 1.00 . A A . 13 VAL C 1 1 26 30737 1 1 13 VAL CA C 5.672 -6.742 1.759 1.00 . A A . 13 VAL CA 1 1 26 30738 1 1 13 VAL CB C 4.922 -5.672 2.570 1.00 . A A . 13 VAL CB 1 1 26 30739 1 1 13 VAL CG1 C 4.082 -4.748 1.676 1.00 . A A . 13 VAL CG1 1 1 26 30740 1 1 13 VAL CG2 C 3.988 -6.343 3.572 1.00 . A A . 13 VAL CG2 1 1 26 30741 1 1 13 VAL H H 7.300 -6.646 3.134 1.00 . A A . 13 VAL H 1 1 26 30742 1 1 13 VAL HA H 4.987 -7.550 1.516 1.00 . A A . 13 VAL HA 1 1 26 30743 1 1 13 VAL HB H 5.648 -5.070 3.118 1.00 . A A . 13 VAL HB 1 1 26 30744 1 1 13 VAL HG11 H 3.573 -5.329 0.906 1.00 . A A . 13 VAL HG11 1 1 26 30745 1 1 13 VAL HG12 H 3.334 -4.230 2.269 1.00 . A A . 13 VAL HG12 1 1 26 30746 1 1 13 VAL HG13 H 4.724 -4.002 1.207 1.00 . A A . 13 VAL HG13 1 1 26 30747 1 1 13 VAL HG21 H 3.066 -6.653 3.086 1.00 . A A . 13 VAL HG21 1 1 26 30748 1 1 13 VAL HG22 H 4.478 -7.223 3.967 1.00 . A A . 13 VAL HG22 1 1 26 30749 1 1 13 VAL HG23 H 3.757 -5.654 4.383 1.00 . A A . 13 VAL HG23 1 1 26 30750 1 1 13 VAL N N 6.816 -7.249 2.495 1.00 . A A . 13 VAL N 1 1 26 30751 1 1 13 VAL O O 6.911 -5.125 0.567 1.00 . A A . 13 VAL O 1 1 26 30752 1 1 14 THR C C 4.984 -5.424 -2.227 1.00 . A A . 14 THR C 1 1 26 30753 1 1 14 THR CA C 6.258 -6.199 -1.929 1.00 . A A . 14 THR CA 1 1 26 30754 1 1 14 THR CB C 6.650 -7.236 -2.994 1.00 . A A . 14 THR CB 1 1 26 30755 1 1 14 THR CG2 C 5.572 -8.284 -3.287 1.00 . A A . 14 THR CG2 1 1 26 30756 1 1 14 THR H H 5.327 -7.561 -0.623 1.00 . A A . 14 THR H 1 1 26 30757 1 1 14 THR HA H 7.094 -5.509 -1.843 1.00 . A A . 14 THR HA 1 1 26 30758 1 1 14 THR HB H 7.540 -7.758 -2.638 1.00 . A A . 14 THR HB 1 1 26 30759 1 1 14 THR HG1 H 7.592 -5.853 -4.012 1.00 . A A . 14 THR HG1 1 1 26 30760 1 1 14 THR HG21 H 5.969 -9.020 -3.987 1.00 . A A . 14 THR HG21 1 1 26 30761 1 1 14 THR HG22 H 5.277 -8.794 -2.371 1.00 . A A . 14 THR HG22 1 1 26 30762 1 1 14 THR HG23 H 4.695 -7.817 -3.736 1.00 . A A . 14 THR HG23 1 1 26 30763 1 1 14 THR N N 6.012 -6.815 -0.644 1.00 . A A . 14 THR N 1 1 26 30764 1 1 14 THR O O 3.888 -5.964 -2.073 1.00 . A A . 14 THR O 1 1 26 30765 1 1 14 THR OG1 O 6.987 -6.577 -4.199 1.00 . A A . 14 THR OG1 1 1 26 30766 1 1 15 PHE C C 4.197 -2.582 -4.115 1.00 . A A . 15 PHE C 1 1 26 30767 1 1 15 PHE CA C 3.986 -3.275 -2.784 1.00 . A A . 15 PHE CA 1 1 26 30768 1 1 15 PHE CB C 3.760 -2.289 -1.637 1.00 . A A . 15 PHE CB 1 1 26 30769 1 1 15 PHE CD1 C 5.972 -1.764 -0.560 1.00 . A A . 15 PHE CD1 1 1 26 30770 1 1 15 PHE CD2 C 4.803 0.016 -1.745 1.00 . A A . 15 PHE CD2 1 1 26 30771 1 1 15 PHE CE1 C 6.915 -0.836 -0.102 1.00 . A A . 15 PHE CE1 1 1 26 30772 1 1 15 PHE CE2 C 5.769 0.938 -1.312 1.00 . A A . 15 PHE CE2 1 1 26 30773 1 1 15 PHE CG C 4.891 -1.331 -1.344 1.00 . A A . 15 PHE CG 1 1 26 30774 1 1 15 PHE CZ C 6.797 0.515 -0.454 1.00 . A A . 15 PHE CZ 1 1 26 30775 1 1 15 PHE H H 6.043 -3.739 -2.664 1.00 . A A . 15 PHE H 1 1 26 30776 1 1 15 PHE HA H 3.072 -3.868 -2.855 1.00 . A A . 15 PHE HA 1 1 26 30777 1 1 15 PHE HB2 H 2.856 -1.715 -1.853 1.00 . A A . 15 PHE HB2 1 1 26 30778 1 1 15 PHE HB3 H 3.588 -2.861 -0.730 1.00 . A A . 15 PHE HB3 1 1 26 30779 1 1 15 PHE HD1 H 6.051 -2.797 -0.260 1.00 . A A . 15 PHE HD1 1 1 26 30780 1 1 15 PHE HD2 H 4.008 0.340 -2.400 1.00 . A A . 15 PHE HD2 1 1 26 30781 1 1 15 PHE HE1 H 7.679 -1.139 0.596 1.00 . A A . 15 PHE HE1 1 1 26 30782 1 1 15 PHE HE2 H 5.724 1.968 -1.638 1.00 . A A . 15 PHE HE2 1 1 26 30783 1 1 15 PHE HZ H 7.495 1.222 -0.040 1.00 . A A . 15 PHE HZ 1 1 26 30784 1 1 15 PHE N N 5.118 -4.136 -2.530 1.00 . A A . 15 PHE N 1 1 26 30785 1 1 15 PHE O O 5.233 -1.956 -4.361 1.00 . A A . 15 PHE O 1 1 26 30786 1 1 16 ASP C C 3.047 -0.427 -5.784 1.00 . A A . 16 ASP C 1 1 26 30787 1 1 16 ASP CA C 2.956 -1.908 -6.128 1.00 . A A . 16 ASP CA 1 1 26 30788 1 1 16 ASP CB C 1.547 -2.209 -6.623 1.00 . A A . 16 ASP CB 1 1 26 30789 1 1 16 ASP CG C 1.376 -3.661 -7.022 1.00 . A A . 16 ASP CG 1 1 26 30790 1 1 16 ASP H H 2.462 -3.416 -4.789 1.00 . A A . 16 ASP H 1 1 26 30791 1 1 16 ASP HA H 3.682 -2.164 -6.894 1.00 . A A . 16 ASP HA 1 1 26 30792 1 1 16 ASP HB2 H 0.868 -2.003 -5.799 1.00 . A A . 16 ASP HB2 1 1 26 30793 1 1 16 ASP HB3 H 1.308 -1.564 -7.460 1.00 . A A . 16 ASP HB3 1 1 26 30794 1 1 16 ASP N N 3.186 -2.722 -4.964 1.00 . A A . 16 ASP N 1 1 26 30795 1 1 16 ASP O O 2.876 -0.012 -4.638 1.00 . A A . 16 ASP O 1 1 26 30796 1 1 16 ASP OD1 O 1.389 -4.491 -6.086 1.00 . A A . 16 ASP OD1 1 1 26 30797 1 1 16 ASP OD2 O 1.255 -3.895 -8.243 1.00 . A A . 16 ASP OD2 1 1 26 30798 1 1 17 HIS C C 3.005 2.434 -8.005 1.00 . A A . 17 HIS C 1 1 26 30799 1 1 17 HIS CA C 3.457 1.801 -6.695 1.00 . A A . 17 HIS CA 1 1 26 30800 1 1 17 HIS CB C 4.922 2.080 -6.357 1.00 . A A . 17 HIS CB 1 1 26 30801 1 1 17 HIS CD2 C 4.851 4.301 -5.138 1.00 . A A . 17 HIS CD2 1 1 26 30802 1 1 17 HIS CE1 C 5.561 5.647 -6.713 1.00 . A A . 17 HIS CE1 1 1 26 30803 1 1 17 HIS CG C 5.221 3.543 -6.209 1.00 . A A . 17 HIS CG 1 1 26 30804 1 1 17 HIS H H 3.375 -0.055 -7.731 1.00 . A A . 17 HIS H 1 1 26 30805 1 1 17 HIS HA H 2.822 2.186 -5.894 1.00 . A A . 17 HIS HA 1 1 26 30806 1 1 17 HIS HB2 H 5.171 1.587 -5.416 1.00 . A A . 17 HIS HB2 1 1 26 30807 1 1 17 HIS HB3 H 5.549 1.653 -7.133 1.00 . A A . 17 HIS HB3 1 1 26 30808 1 1 17 HIS HD1 H 5.919 4.133 -8.136 1.00 . A A . 17 HIS HD1 1 1 26 30809 1 1 17 HIS HD2 H 4.369 3.938 -4.246 1.00 . A A . 17 HIS HD2 1 1 26 30810 1 1 17 HIS HE1 H 5.757 6.551 -7.268 1.00 . A A . 17 HIS HE1 1 1 26 30811 1 1 17 HIS N N 3.291 0.369 -6.820 1.00 . A A . 17 HIS N 1 1 26 30812 1 1 17 HIS ND1 N 5.664 4.395 -7.196 1.00 . A A . 17 HIS ND1 1 1 26 30813 1 1 17 HIS NE2 N 5.064 5.637 -5.468 1.00 . A A . 17 HIS NE2 1 1 26 30814 1 1 17 HIS O O 1.919 2.999 -8.080 1.00 . A A . 17 HIS O 1 1 26 30815 1 1 18 LYS C C 2.110 2.230 -10.823 1.00 . A A . 18 LYS C 1 1 26 30816 1 1 18 LYS CA C 3.478 2.752 -10.395 1.00 . A A . 18 LYS CA 1 1 26 30817 1 1 18 LYS CB C 4.581 2.345 -11.377 1.00 . A A . 18 LYS CB 1 1 26 30818 1 1 18 LYS CD C 5.321 2.495 -13.794 1.00 . A A . 18 LYS CD 1 1 26 30819 1 1 18 LYS CE C 4.781 2.624 -15.225 1.00 . A A . 18 LYS CE 1 1 26 30820 1 1 18 LYS CG C 4.139 2.575 -12.825 1.00 . A A . 18 LYS CG 1 1 26 30821 1 1 18 LYS H H 4.675 1.780 -8.935 1.00 . A A . 18 LYS H 1 1 26 30822 1 1 18 LYS HA H 3.433 3.842 -10.368 1.00 . A A . 18 LYS HA 1 1 26 30823 1 1 18 LYS HB2 H 5.455 2.959 -11.160 1.00 . A A . 18 LYS HB2 1 1 26 30824 1 1 18 LYS HB3 H 4.834 1.292 -11.250 1.00 . A A . 18 LYS HB3 1 1 26 30825 1 1 18 LYS HD2 H 6.020 3.303 -13.565 1.00 . A A . 18 LYS HD2 1 1 26 30826 1 1 18 LYS HD3 H 5.824 1.534 -13.665 1.00 . A A . 18 LYS HD3 1 1 26 30827 1 1 18 LYS HE2 H 4.135 1.771 -15.442 1.00 . A A . 18 LYS HE2 1 1 26 30828 1 1 18 LYS HE3 H 4.178 3.532 -15.307 1.00 . A A . 18 LYS HE3 1 1 26 30829 1 1 18 LYS HG2 H 3.409 1.814 -13.109 1.00 . A A . 18 LYS HG2 1 1 26 30830 1 1 18 LYS HG3 H 3.663 3.553 -12.907 1.00 . A A . 18 LYS HG3 1 1 26 30831 1 1 18 LYS HZ1 H 5.456 2.732 -17.147 1.00 . A A . 18 LYS HZ1 1 1 26 30832 1 1 18 LYS HZ2 H 6.449 3.477 -16.063 1.00 . A A . 18 LYS HZ2 1 1 26 30833 1 1 18 LYS HZ3 H 6.424 1.830 -16.162 1.00 . A A . 18 LYS HZ3 1 1 26 30834 1 1 18 LYS N N 3.810 2.277 -9.061 1.00 . A A . 18 LYS N 1 1 26 30835 1 1 18 LYS NZ N 5.863 2.670 -16.224 1.00 . A A . 18 LYS NZ 1 1 26 30836 1 1 18 LYS O O 1.245 3.014 -11.184 1.00 . A A . 18 LYS O 1 1 26 30837 1 1 19 ALA C C -0.538 1.007 -10.409 1.00 . A A . 19 ALA C 1 1 26 30838 1 1 19 ALA CA C 0.632 0.281 -11.078 1.00 . A A . 19 ALA CA 1 1 26 30839 1 1 19 ALA CB C 0.677 -1.150 -10.568 1.00 . A A . 19 ALA CB 1 1 26 30840 1 1 19 ALA H H 2.693 0.329 -10.528 1.00 . A A . 19 ALA H 1 1 26 30841 1 1 19 ALA HA H 0.486 0.264 -12.158 1.00 . A A . 19 ALA HA 1 1 26 30842 1 1 19 ALA HB1 H 1.478 -1.705 -11.056 1.00 . A A . 19 ALA HB1 1 1 26 30843 1 1 19 ALA HB2 H 0.860 -1.101 -9.499 1.00 . A A . 19 ALA HB2 1 1 26 30844 1 1 19 ALA HB3 H -0.280 -1.637 -10.752 1.00 . A A . 19 ALA HB3 1 1 26 30845 1 1 19 ALA N N 1.909 0.914 -10.768 1.00 . A A . 19 ALA N 1 1 26 30846 1 1 19 ALA O O -1.468 1.461 -11.074 1.00 . A A . 19 ALA O 1 1 26 30847 1 1 20 HIS C C -1.600 3.272 -8.857 1.00 . A A . 20 HIS C 1 1 26 30848 1 1 20 HIS CA C -1.499 1.839 -8.324 1.00 . A A . 20 HIS CA 1 1 26 30849 1 1 20 HIS CB C -1.174 1.807 -6.820 1.00 . A A . 20 HIS CB 1 1 26 30850 1 1 20 HIS CD2 C -1.826 0.239 -4.887 1.00 . A A . 20 HIS CD2 1 1 26 30851 1 1 20 HIS CE1 C -1.682 -1.696 -5.880 1.00 . A A . 20 HIS CE1 1 1 26 30852 1 1 20 HIS CG C -1.349 0.456 -6.155 1.00 . A A . 20 HIS CG 1 1 26 30853 1 1 20 HIS H H 0.357 0.844 -8.595 1.00 . A A . 20 HIS H 1 1 26 30854 1 1 20 HIS HA H -2.463 1.352 -8.478 1.00 . A A . 20 HIS HA 1 1 26 30855 1 1 20 HIS HB2 H -0.157 2.158 -6.649 1.00 . A A . 20 HIS HB2 1 1 26 30856 1 1 20 HIS HB3 H -1.857 2.502 -6.329 1.00 . A A . 20 HIS HB3 1 1 26 30857 1 1 20 HIS HD1 H -0.990 -0.963 -7.718 1.00 . A A . 20 HIS HD1 1 1 26 30858 1 1 20 HIS HD2 H -2.088 1.004 -4.179 1.00 . A A . 20 HIS HD2 1 1 26 30859 1 1 20 HIS HE1 H -1.775 -2.742 -6.112 1.00 . A A . 20 HIS HE1 1 1 26 30860 1 1 20 HIS N N -0.482 1.128 -9.078 1.00 . A A . 20 HIS N 1 1 26 30861 1 1 20 HIS ND1 N -1.262 -0.774 -6.765 1.00 . A A . 20 HIS ND1 1 1 26 30862 1 1 20 HIS NE2 N -2.054 -1.134 -4.718 1.00 . A A . 20 HIS NE2 1 1 26 30863 1 1 20 HIS O O -2.691 3.807 -9.023 1.00 . A A . 20 HIS O 1 1 26 30864 1 1 21 ALA C C -1.192 5.417 -10.952 1.00 . A A . 21 ALA C 1 1 26 30865 1 1 21 ALA CA C -0.423 5.265 -9.641 1.00 . A A . 21 ALA CA 1 1 26 30866 1 1 21 ALA CB C 1.012 5.776 -9.788 1.00 . A A . 21 ALA CB 1 1 26 30867 1 1 21 ALA H H 0.399 3.338 -9.110 1.00 . A A . 21 ALA H 1 1 26 30868 1 1 21 ALA HA H -0.916 5.894 -8.899 1.00 . A A . 21 ALA HA 1 1 26 30869 1 1 21 ALA HB1 H 1.507 5.334 -10.649 1.00 . A A . 21 ALA HB1 1 1 26 30870 1 1 21 ALA HB2 H 0.974 6.851 -9.952 1.00 . A A . 21 ALA HB2 1 1 26 30871 1 1 21 ALA HB3 H 1.590 5.556 -8.892 1.00 . A A . 21 ALA HB3 1 1 26 30872 1 1 21 ALA N N -0.458 3.889 -9.161 1.00 . A A . 21 ALA N 1 1 26 30873 1 1 21 ALA O O -2.040 6.280 -11.072 1.00 . A A . 21 ALA O 1 1 26 30874 1 1 22 GLU C C -2.984 4.282 -13.225 1.00 . A A . 22 GLU C 1 1 26 30875 1 1 22 GLU CA C -1.516 4.703 -13.266 1.00 . A A . 22 GLU CA 1 1 26 30876 1 1 22 GLU CB C -0.678 3.985 -14.335 1.00 . A A . 22 GLU CB 1 1 26 30877 1 1 22 GLU CD C 0.655 1.960 -15.037 1.00 . A A . 22 GLU CD 1 1 26 30878 1 1 22 GLU CG C -0.433 2.488 -14.109 1.00 . A A . 22 GLU CG 1 1 26 30879 1 1 22 GLU H H -0.288 3.839 -11.724 1.00 . A A . 22 GLU H 1 1 26 30880 1 1 22 GLU HA H -1.506 5.759 -13.542 1.00 . A A . 22 GLU HA 1 1 26 30881 1 1 22 GLU HB2 H -1.167 4.101 -15.303 1.00 . A A . 22 GLU HB2 1 1 26 30882 1 1 22 GLU HB3 H 0.291 4.482 -14.380 1.00 . A A . 22 GLU HB3 1 1 26 30883 1 1 22 GLU HG2 H -0.095 2.313 -13.096 1.00 . A A . 22 GLU HG2 1 1 26 30884 1 1 22 GLU HG3 H -1.355 1.930 -14.271 1.00 . A A . 22 GLU HG3 1 1 26 30885 1 1 22 GLU N N -0.914 4.589 -11.946 1.00 . A A . 22 GLU N 1 1 26 30886 1 1 22 GLU O O -3.820 4.904 -13.877 1.00 . A A . 22 GLU O 1 1 26 30887 1 1 22 GLU OE1 O 1.785 2.493 -14.954 1.00 . A A . 22 GLU OE1 1 1 26 30888 1 1 22 GLU OE2 O 0.345 1.035 -15.816 1.00 . A A . 22 GLU OE2 1 1 26 30889 1 1 23 LYS C C -5.513 3.949 -11.576 1.00 . A A . 23 LYS C 1 1 26 30890 1 1 23 LYS CA C -4.691 2.843 -12.245 1.00 . A A . 23 LYS CA 1 1 26 30891 1 1 23 LYS CB C -4.737 1.516 -11.470 1.00 . A A . 23 LYS CB 1 1 26 30892 1 1 23 LYS CD C -4.974 -0.095 -13.449 1.00 . A A . 23 LYS CD 1 1 26 30893 1 1 23 LYS CE C -6.142 -0.998 -13.024 1.00 . A A . 23 LYS CE 1 1 26 30894 1 1 23 LYS CG C -4.106 0.356 -12.266 1.00 . A A . 23 LYS CG 1 1 26 30895 1 1 23 LYS H H -2.580 2.715 -11.984 1.00 . A A . 23 LYS H 1 1 26 30896 1 1 23 LYS HA H -5.139 2.718 -13.228 1.00 . A A . 23 LYS HA 1 1 26 30897 1 1 23 LYS HB2 H -4.184 1.641 -10.537 1.00 . A A . 23 LYS HB2 1 1 26 30898 1 1 23 LYS HB3 H -5.769 1.281 -11.218 1.00 . A A . 23 LYS HB3 1 1 26 30899 1 1 23 LYS HD2 H -5.361 0.791 -13.945 1.00 . A A . 23 LYS HD2 1 1 26 30900 1 1 23 LYS HD3 H -4.334 -0.611 -14.166 1.00 . A A . 23 LYS HD3 1 1 26 30901 1 1 23 LYS HE2 H -6.530 -0.669 -12.059 1.00 . A A . 23 LYS HE2 1 1 26 30902 1 1 23 LYS HE3 H -6.949 -0.934 -13.756 1.00 . A A . 23 LYS HE3 1 1 26 30903 1 1 23 LYS HG2 H -3.145 0.679 -12.670 1.00 . A A . 23 LYS HG2 1 1 26 30904 1 1 23 LYS HG3 H -3.913 -0.483 -11.594 1.00 . A A . 23 LYS HG3 1 1 26 30905 1 1 23 LYS HZ1 H -4.812 -2.481 -12.452 1.00 . A A . 23 LYS HZ1 1 1 26 30906 1 1 23 LYS HZ2 H -6.289 -2.903 -12.199 1.00 . A A . 23 LYS HZ2 1 1 26 30907 1 1 23 LYS HZ3 H -5.713 -2.914 -13.767 1.00 . A A . 23 LYS HZ3 1 1 26 30908 1 1 23 LYS N N -3.312 3.249 -12.444 1.00 . A A . 23 LYS N 1 1 26 30909 1 1 23 LYS NZ N -5.728 -2.408 -12.900 1.00 . A A . 23 LYS NZ 1 1 26 30910 1 1 23 LYS O O -6.583 4.293 -12.072 1.00 . A A . 23 LYS O 1 1 26 30911 1 1 24 LEU C C -5.510 6.915 -10.349 1.00 . A A . 24 LEU C 1 1 26 30912 1 1 24 LEU CA C -5.760 5.536 -9.735 1.00 . A A . 24 LEU CA 1 1 26 30913 1 1 24 LEU CB C -5.329 5.560 -8.267 1.00 . A A . 24 LEU CB 1 1 26 30914 1 1 24 LEU CD1 C -7.388 4.636 -7.110 1.00 . A A . 24 LEU CD1 1 1 26 30915 1 1 24 LEU CD2 C -5.615 3.006 -7.812 1.00 . A A . 24 LEU CD2 1 1 26 30916 1 1 24 LEU CG C -5.889 4.447 -7.375 1.00 . A A . 24 LEU CG 1 1 26 30917 1 1 24 LEU H H -4.197 4.123 -10.027 1.00 . A A . 24 LEU H 1 1 26 30918 1 1 24 LEU HA H -6.832 5.349 -9.781 1.00 . A A . 24 LEU HA 1 1 26 30919 1 1 24 LEU HB2 H -4.242 5.559 -8.199 1.00 . A A . 24 LEU HB2 1 1 26 30920 1 1 24 LEU HB3 H -5.675 6.502 -7.849 1.00 . A A . 24 LEU HB3 1 1 26 30921 1 1 24 LEU HD11 H -7.959 4.501 -8.028 1.00 . A A . 24 LEU HD11 1 1 26 30922 1 1 24 LEU HD12 H -7.730 3.900 -6.384 1.00 . A A . 24 LEU HD12 1 1 26 30923 1 1 24 LEU HD13 H -7.573 5.635 -6.713 1.00 . A A . 24 LEU HD13 1 1 26 30924 1 1 24 LEU HD21 H -6.018 2.327 -7.063 1.00 . A A . 24 LEU HD21 1 1 26 30925 1 1 24 LEU HD22 H -6.086 2.788 -8.770 1.00 . A A . 24 LEU HD22 1 1 26 30926 1 1 24 LEU HD23 H -4.543 2.833 -7.869 1.00 . A A . 24 LEU HD23 1 1 26 30927 1 1 24 LEU HG H -5.342 4.588 -6.451 1.00 . A A . 24 LEU HG 1 1 26 30928 1 1 24 LEU N N -5.045 4.488 -10.448 1.00 . A A . 24 LEU N 1 1 26 30929 1 1 24 LEU O O -6.445 7.572 -10.802 1.00 . A A . 24 LEU O 1 1 26 30930 1 1 25 GLY C C -2.554 9.071 -9.995 1.00 . A A . 25 GLY C 1 1 26 30931 1 1 25 GLY CA C -3.873 8.727 -10.680 1.00 . A A . 25 GLY CA 1 1 26 30932 1 1 25 GLY H H -3.482 6.751 -10.102 1.00 . A A . 25 GLY H 1 1 26 30933 1 1 25 GLY HA2 H -3.727 8.757 -11.759 1.00 . A A . 25 GLY HA2 1 1 26 30934 1 1 25 GLY HA3 H -4.638 9.450 -10.396 1.00 . A A . 25 GLY HA3 1 1 26 30935 1 1 25 GLY N N -4.261 7.381 -10.301 1.00 . A A . 25 GLY N 1 1 26 30936 1 1 25 GLY O O -1.491 8.936 -10.598 1.00 . A A . 25 GLY O 1 1 26 30937 1 1 26 CYS C C -1.977 10.445 -6.569 1.00 . A A . 26 CYS C 1 1 26 30938 1 1 26 CYS CA C -1.474 9.913 -7.911 1.00 . A A . 26 CYS CA 1 1 26 30939 1 1 26 CYS CB C -0.638 10.988 -8.595 1.00 . A A . 26 CYS CB 1 1 26 30940 1 1 26 CYS H H -3.569 9.561 -8.327 1.00 . A A . 26 CYS H 1 1 26 30941 1 1 26 CYS HA H -0.884 9.021 -7.716 1.00 . A A . 26 CYS HA 1 1 26 30942 1 1 26 CYS HB2 H -0.576 10.876 -9.672 1.00 . A A . 26 CYS HB2 1 1 26 30943 1 1 26 CYS HB3 H -1.070 11.973 -8.412 1.00 . A A . 26 CYS HB3 1 1 26 30944 1 1 26 CYS N N -2.626 9.509 -8.734 1.00 . A A . 26 CYS N 1 1 26 30945 1 1 26 CYS O O -1.579 9.993 -5.492 1.00 . A A . 26 CYS O 1 1 26 30946 1 1 26 CYS SG S 1.059 10.993 -7.970 1.00 . A A . 26 CYS SG 1 1 26 30947 1 1 27 ASP C C -4.172 10.952 -4.636 1.00 . A A . 27 ASP C 1 1 26 30948 1 1 27 ASP CA C -3.849 11.938 -5.748 1.00 . A A . 27 ASP CA 1 1 26 30949 1 1 27 ASP CB C -5.130 12.316 -6.519 1.00 . A A . 27 ASP CB 1 1 26 30950 1 1 27 ASP CG C -5.791 11.153 -7.276 1.00 . A A . 27 ASP CG 1 1 26 30951 1 1 27 ASP H H -3.322 11.352 -7.644 1.00 . A A . 27 ASP H 1 1 26 30952 1 1 27 ASP HA H -3.405 12.837 -5.315 1.00 . A A . 27 ASP HA 1 1 26 30953 1 1 27 ASP HB2 H -5.851 12.719 -5.805 1.00 . A A . 27 ASP HB2 1 1 26 30954 1 1 27 ASP HB3 H -4.896 13.099 -7.239 1.00 . A A . 27 ASP HB3 1 1 26 30955 1 1 27 ASP N N -2.929 11.366 -6.714 1.00 . A A . 27 ASP N 1 1 26 30956 1 1 27 ASP O O -4.123 11.283 -3.454 1.00 . A A . 27 ASP O 1 1 26 30957 1 1 27 ASP OD1 O -5.048 10.221 -7.684 1.00 . A A . 27 ASP OD1 1 1 26 30958 1 1 27 ASP OD2 O -7.027 11.210 -7.426 1.00 . A A . 27 ASP OD2 1 1 26 30959 1 1 28 ALA C C -3.915 8.456 -3.000 1.00 . A A . 28 ALA C 1 1 26 30960 1 1 28 ALA CA C -4.836 8.603 -4.214 1.00 . A A . 28 ALA CA 1 1 26 30961 1 1 28 ALA CB C -4.803 7.353 -5.088 1.00 . A A . 28 ALA CB 1 1 26 30962 1 1 28 ALA H H -4.545 9.617 -6.065 1.00 . A A . 28 ALA H 1 1 26 30963 1 1 28 ALA HA H -5.856 8.760 -3.864 1.00 . A A . 28 ALA HA 1 1 26 30964 1 1 28 ALA HB1 H -5.032 6.470 -4.494 1.00 . A A . 28 ALA HB1 1 1 26 30965 1 1 28 ALA HB2 H -5.550 7.474 -5.871 1.00 . A A . 28 ALA HB2 1 1 26 30966 1 1 28 ALA HB3 H -3.818 7.251 -5.547 1.00 . A A . 28 ALA HB3 1 1 26 30967 1 1 28 ALA N N -4.493 9.729 -5.052 1.00 . A A . 28 ALA N 1 1 26 30968 1 1 28 ALA O O -4.387 8.081 -1.927 1.00 . A A . 28 ALA O 1 1 26 30969 1 1 29 CYS C C -0.801 9.848 -1.892 1.00 . A A . 29 CYS C 1 1 26 30970 1 1 29 CYS CA C -1.619 8.572 -2.116 1.00 . A A . 29 CYS CA 1 1 26 30971 1 1 29 CYS CB C -0.712 7.415 -2.432 1.00 . A A . 29 CYS CB 1 1 26 30972 1 1 29 CYS H H -2.315 9.043 -4.088 1.00 . A A . 29 CYS H 1 1 26 30973 1 1 29 CYS HA H -2.108 8.347 -1.167 1.00 . A A . 29 CYS HA 1 1 26 30974 1 1 29 CYS HB2 H -0.152 7.669 -3.331 1.00 . A A . 29 CYS HB2 1 1 26 30975 1 1 29 CYS HB3 H -0.011 7.274 -1.608 1.00 . A A . 29 CYS HB3 1 1 26 30976 1 1 29 CYS N N -2.616 8.722 -3.173 1.00 . A A . 29 CYS N 1 1 26 30977 1 1 29 CYS O O -0.398 10.110 -0.760 1.00 . A A . 29 CYS O 1 1 26 30978 1 1 29 CYS SG S -1.645 5.865 -2.689 1.00 . A A . 29 CYS SG 1 1 26 30979 1 1 30 HIS C C -0.419 12.983 -3.523 1.00 . A A . 30 HIS C 1 1 26 30980 1 1 30 HIS CA C 0.312 11.829 -2.846 1.00 . A A . 30 HIS CA 1 1 26 30981 1 1 30 HIS CB C 1.661 11.620 -3.532 1.00 . A A . 30 HIS CB 1 1 26 30982 1 1 30 HIS CD2 C 2.583 9.304 -3.831 1.00 . A A . 30 HIS CD2 1 1 26 30983 1 1 30 HIS CE1 C 4.209 9.304 -2.381 1.00 . A A . 30 HIS CE1 1 1 26 30984 1 1 30 HIS CG C 2.438 10.418 -3.069 1.00 . A A . 30 HIS CG 1 1 26 30985 1 1 30 HIS H H -0.911 10.421 -3.854 1.00 . A A . 30 HIS H 1 1 26 30986 1 1 30 HIS HA H 0.528 12.089 -1.809 1.00 . A A . 30 HIS HA 1 1 26 30987 1 1 30 HIS HB2 H 1.477 11.516 -4.605 1.00 . A A . 30 HIS HB2 1 1 26 30988 1 1 30 HIS HB3 H 2.265 12.517 -3.400 1.00 . A A . 30 HIS HB3 1 1 26 30989 1 1 30 HIS HD1 H 3.620 11.120 -1.450 1.00 . A A . 30 HIS HD1 1 1 26 30990 1 1 30 HIS HD2 H 2.017 9.062 -4.707 1.00 . A A . 30 HIS HD2 1 1 26 30991 1 1 30 HIS HE1 H 5.133 9.033 -1.896 1.00 . A A . 30 HIS HE1 1 1 26 30992 1 1 30 HIS N N -0.511 10.628 -2.942 1.00 . A A . 30 HIS N 1 1 26 30993 1 1 30 HIS ND1 N 3.450 10.399 -2.136 1.00 . A A . 30 HIS ND1 1 1 26 30994 1 1 30 HIS NE2 N 3.718 8.621 -3.424 1.00 . A A . 30 HIS NE2 1 1 26 30995 1 1 30 HIS O O -0.695 12.912 -4.717 1.00 . A A . 30 HIS O 1 1 26 30996 1 1 31 GLU C C -0.415 16.121 -4.044 1.00 . A A . 31 GLU C 1 1 26 30997 1 1 31 GLU CA C -1.397 15.216 -3.311 1.00 . A A . 31 GLU CA 1 1 26 30998 1 1 31 GLU CB C -2.098 15.995 -2.185 1.00 . A A . 31 GLU CB 1 1 26 30999 1 1 31 GLU CD C -3.876 15.822 -0.427 1.00 . A A . 31 GLU CD 1 1 26 31000 1 1 31 GLU CG C -2.867 15.051 -1.268 1.00 . A A . 31 GLU CG 1 1 26 31001 1 1 31 GLU H H -0.408 14.037 -1.807 1.00 . A A . 31 GLU H 1 1 26 31002 1 1 31 GLU HA H -2.162 14.881 -4.016 1.00 . A A . 31 GLU HA 1 1 26 31003 1 1 31 GLU HB2 H -1.421 16.570 -1.556 1.00 . A A . 31 GLU HB2 1 1 26 31004 1 1 31 GLU HB3 H -2.803 16.689 -2.647 1.00 . A A . 31 GLU HB3 1 1 26 31005 1 1 31 GLU HG2 H -3.373 14.340 -1.909 1.00 . A A . 31 GLU HG2 1 1 26 31006 1 1 31 GLU HG3 H -2.191 14.513 -0.604 1.00 . A A . 31 GLU HG3 1 1 26 31007 1 1 31 GLU N N -0.690 14.055 -2.776 1.00 . A A . 31 GLU N 1 1 26 31008 1 1 31 GLU O O -0.489 16.329 -5.252 1.00 . A A . 31 GLU O 1 1 26 31009 1 1 31 GLU OE1 O -4.889 16.257 -1.015 1.00 . A A . 31 GLU OE1 1 1 26 31010 1 1 31 GLU OE2 O -3.592 15.997 0.778 1.00 . A A . 31 GLU OE2 1 1 26 31011 1 1 32 GLY C C 2.875 16.874 -3.675 1.00 . A A . 32 GLY C 1 1 26 31012 1 1 32 GLY CA C 1.533 17.595 -3.677 1.00 . A A . 32 GLY CA 1 1 26 31013 1 1 32 GLY H H 0.427 16.393 -2.280 1.00 . A A . 32 GLY H 1 1 26 31014 1 1 32 GLY HA2 H 1.336 17.977 -4.679 1.00 . A A . 32 GLY HA2 1 1 26 31015 1 1 32 GLY HA3 H 1.555 18.437 -2.984 1.00 . A A . 32 GLY HA3 1 1 26 31016 1 1 32 GLY N N 0.492 16.677 -3.247 1.00 . A A . 32 GLY N 1 1 26 31017 1 1 32 GLY O O 3.014 15.810 -4.277 1.00 . A A . 32 GLY O 1 1 26 31018 1 1 33 THR C C 5.034 15.400 -2.284 1.00 . A A . 33 THR C 1 1 26 31019 1 1 33 THR CA C 5.174 16.833 -2.818 1.00 . A A . 33 THR CA 1 1 26 31020 1 1 33 THR CB C 5.966 17.693 -1.826 1.00 . A A . 33 THR CB 1 1 26 31021 1 1 33 THR CG2 C 7.461 17.369 -1.872 1.00 . A A . 33 THR CG2 1 1 26 31022 1 1 33 THR H H 3.726 18.319 -2.504 1.00 . A A . 33 THR H 1 1 26 31023 1 1 33 THR HA H 5.668 16.866 -3.788 1.00 . A A . 33 THR HA 1 1 26 31024 1 1 33 THR HB H 5.597 17.517 -0.813 1.00 . A A . 33 THR HB 1 1 26 31025 1 1 33 THR HG1 H 6.108 19.240 -3.008 1.00 . A A . 33 THR HG1 1 1 26 31026 1 1 33 THR HG21 H 7.868 17.575 -2.862 1.00 . A A . 33 THR HG21 1 1 26 31027 1 1 33 THR HG22 H 7.988 17.976 -1.135 1.00 . A A . 33 THR HG22 1 1 26 31028 1 1 33 THR HG23 H 7.617 16.317 -1.634 1.00 . A A . 33 THR HG23 1 1 26 31029 1 1 33 THR N N 3.865 17.439 -2.981 1.00 . A A . 33 THR N 1 1 26 31030 1 1 33 THR O O 4.458 15.229 -1.213 1.00 . A A . 33 THR O 1 1 26 31031 1 1 33 THR OG1 O 5.762 19.060 -2.131 1.00 . A A . 33 THR OG1 1 1 26 31032 1 1 34 PRO C C 6.513 12.917 -1.290 1.00 . A A . 34 PRO C 1 1 26 31033 1 1 34 PRO CA C 5.536 13.025 -2.463 1.00 . A A . 34 PRO CA 1 1 26 31034 1 1 34 PRO CB C 5.858 12.097 -3.631 1.00 . A A . 34 PRO CB 1 1 26 31035 1 1 34 PRO CD C 6.097 14.419 -4.327 1.00 . A A . 34 PRO CD 1 1 26 31036 1 1 34 PRO CG C 6.554 12.994 -4.647 1.00 . A A . 34 PRO CG 1 1 26 31037 1 1 34 PRO HA H 4.533 12.782 -2.128 1.00 . A A . 34 PRO HA 1 1 26 31038 1 1 34 PRO HB2 H 6.467 11.243 -3.333 1.00 . A A . 34 PRO HB2 1 1 26 31039 1 1 34 PRO HB3 H 4.925 11.741 -4.073 1.00 . A A . 34 PRO HB3 1 1 26 31040 1 1 34 PRO HD2 H 6.946 15.101 -4.396 1.00 . A A . 34 PRO HD2 1 1 26 31041 1 1 34 PRO HD3 H 5.315 14.718 -5.027 1.00 . A A . 34 PRO HD3 1 1 26 31042 1 1 34 PRO HG2 H 7.629 12.913 -4.516 1.00 . A A . 34 PRO HG2 1 1 26 31043 1 1 34 PRO HG3 H 6.257 12.706 -5.653 1.00 . A A . 34 PRO HG3 1 1 26 31044 1 1 34 PRO N N 5.548 14.375 -2.985 1.00 . A A . 34 PRO N 1 1 26 31045 1 1 34 PRO O O 6.080 12.759 -0.158 1.00 . A A . 34 PRO O 1 1 26 31046 1 1 35 ALA C C 8.741 11.655 0.286 1.00 . A A . 35 ALA C 1 1 26 31047 1 1 35 ALA CA C 8.887 12.923 -0.564 1.00 . A A . 35 ALA CA 1 1 26 31048 1 1 35 ALA CB C 8.957 14.198 0.286 1.00 . A A . 35 ALA CB 1 1 26 31049 1 1 35 ALA H H 8.091 13.188 -2.519 1.00 . A A . 35 ALA H 1 1 26 31050 1 1 35 ALA HA H 9.833 12.842 -1.101 1.00 . A A . 35 ALA HA 1 1 26 31051 1 1 35 ALA HB1 H 8.026 14.339 0.838 1.00 . A A . 35 ALA HB1 1 1 26 31052 1 1 35 ALA HB2 H 9.781 14.118 0.997 1.00 . A A . 35 ALA HB2 1 1 26 31053 1 1 35 ALA HB3 H 9.135 15.059 -0.355 1.00 . A A . 35 ALA HB3 1 1 26 31054 1 1 35 ALA N N 7.821 13.028 -1.562 1.00 . A A . 35 ALA N 1 1 26 31055 1 1 35 ALA O O 8.794 11.705 1.513 1.00 . A A . 35 ALA O 1 1 26 31056 1 1 36 LYS C C 7.068 9.228 1.082 1.00 . A A . 36 LYS C 1 1 26 31057 1 1 36 LYS CA C 8.271 9.208 0.130 1.00 . A A . 36 LYS CA 1 1 26 31058 1 1 36 LYS CB C 9.526 8.512 0.674 1.00 . A A . 36 LYS CB 1 1 26 31059 1 1 36 LYS CD C 10.676 7.980 2.857 1.00 . A A . 36 LYS CD 1 1 26 31060 1 1 36 LYS CE C 11.880 7.300 2.185 1.00 . A A . 36 LYS CE 1 1 26 31061 1 1 36 LYS CG C 10.049 9.085 1.996 1.00 . A A . 36 LYS CG 1 1 26 31062 1 1 36 LYS H H 8.648 10.595 -1.403 1.00 . A A . 36 LYS H 1 1 26 31063 1 1 36 LYS HA H 7.934 8.631 -0.726 1.00 . A A . 36 LYS HA 1 1 26 31064 1 1 36 LYS HB2 H 9.301 7.458 0.803 1.00 . A A . 36 LYS HB2 1 1 26 31065 1 1 36 LYS HB3 H 10.320 8.587 -0.067 1.00 . A A . 36 LYS HB3 1 1 26 31066 1 1 36 LYS HD2 H 10.983 8.404 3.815 1.00 . A A . 36 LYS HD2 1 1 26 31067 1 1 36 LYS HD3 H 9.893 7.249 3.065 1.00 . A A . 36 LYS HD3 1 1 26 31068 1 1 36 LYS HE2 H 11.814 7.373 1.098 1.00 . A A . 36 LYS HE2 1 1 26 31069 1 1 36 LYS HE3 H 12.794 7.804 2.501 1.00 . A A . 36 LYS HE3 1 1 26 31070 1 1 36 LYS HG2 H 10.755 9.887 1.770 1.00 . A A . 36 LYS HG2 1 1 26 31071 1 1 36 LYS HG3 H 9.229 9.515 2.568 1.00 . A A . 36 LYS HG3 1 1 26 31072 1 1 36 LYS HZ1 H 11.900 5.682 3.493 1.00 . A A . 36 LYS HZ1 1 1 26 31073 1 1 36 LYS HZ2 H 11.160 5.386 2.050 1.00 . A A . 36 LYS HZ2 1 1 26 31074 1 1 36 LYS HZ3 H 12.770 5.442 2.103 1.00 . A A . 36 LYS HZ3 1 1 26 31075 1 1 36 LYS N N 8.602 10.519 -0.405 1.00 . A A . 36 LYS N 1 1 26 31076 1 1 36 LYS NZ N 11.946 5.860 2.503 1.00 . A A . 36 LYS NZ 1 1 26 31077 1 1 36 LYS O O 6.301 10.183 1.079 1.00 . A A . 36 LYS O 1 1 26 31078 1 1 37 ILE C C 6.264 7.340 4.097 1.00 . A A . 37 ILE C 1 1 26 31079 1 1 37 ILE CA C 5.808 8.113 2.870 1.00 . A A . 37 ILE CA 1 1 26 31080 1 1 37 ILE CB C 4.488 7.509 2.332 1.00 . A A . 37 ILE CB 1 1 26 31081 1 1 37 ILE CD1 C 2.767 7.535 0.415 1.00 . A A . 37 ILE CD1 1 1 26 31082 1 1 37 ILE CG1 C 4.152 7.968 0.908 1.00 . A A . 37 ILE CG1 1 1 26 31083 1 1 37 ILE CG2 C 3.352 7.869 3.302 1.00 . A A . 37 ILE CG2 1 1 26 31084 1 1 37 ILE H H 7.542 7.399 1.808 1.00 . A A . 37 ILE H 1 1 26 31085 1 1 37 ILE HA H 5.611 9.124 3.207 1.00 . A A . 37 ILE HA 1 1 26 31086 1 1 37 ILE HB H 4.587 6.424 2.297 1.00 . A A . 37 ILE HB 1 1 26 31087 1 1 37 ILE HD11 H 2.596 6.481 0.623 1.00 . A A . 37 ILE HD11 1 1 26 31088 1 1 37 ILE HD12 H 1.990 8.126 0.900 1.00 . A A . 37 ILE HD12 1 1 26 31089 1 1 37 ILE HD13 H 2.693 7.701 -0.659 1.00 . A A . 37 ILE HD13 1 1 26 31090 1 1 37 ILE HG12 H 4.184 9.053 0.855 1.00 . A A . 37 ILE HG12 1 1 26 31091 1 1 37 ILE HG13 H 4.914 7.541 0.259 1.00 . A A . 37 ILE HG13 1 1 26 31092 1 1 37 ILE HG21 H 3.199 8.948 3.313 1.00 . A A . 37 ILE HG21 1 1 26 31093 1 1 37 ILE HG22 H 2.425 7.386 3.000 1.00 . A A . 37 ILE HG22 1 1 26 31094 1 1 37 ILE HG23 H 3.587 7.535 4.312 1.00 . A A . 37 ILE HG23 1 1 26 31095 1 1 37 ILE N N 6.874 8.160 1.864 1.00 . A A . 37 ILE N 1 1 26 31096 1 1 37 ILE O O 6.127 7.812 5.222 1.00 . A A . 37 ILE O 1 1 26 31097 1 1 38 ALA C C 5.758 4.613 5.455 1.00 . A A . 38 ALA C 1 1 26 31098 1 1 38 ALA CA C 7.064 5.110 4.837 1.00 . A A . 38 ALA CA 1 1 26 31099 1 1 38 ALA CB C 8.089 5.597 5.863 1.00 . A A . 38 ALA CB 1 1 26 31100 1 1 38 ALA H H 6.866 5.892 2.872 1.00 . A A . 38 ALA H 1 1 26 31101 1 1 38 ALA HA H 7.526 4.273 4.310 1.00 . A A . 38 ALA HA 1 1 26 31102 1 1 38 ALA HB1 H 7.676 6.378 6.499 1.00 . A A . 38 ALA HB1 1 1 26 31103 1 1 38 ALA HB2 H 8.395 4.760 6.490 1.00 . A A . 38 ALA HB2 1 1 26 31104 1 1 38 ALA HB3 H 8.953 5.985 5.323 1.00 . A A . 38 ALA HB3 1 1 26 31105 1 1 38 ALA N N 6.770 6.134 3.846 1.00 . A A . 38 ALA N 1 1 26 31106 1 1 38 ALA O O 5.385 4.967 6.573 1.00 . A A . 38 ALA O 1 1 26 31107 1 1 39 ILE C C 4.184 1.953 5.983 1.00 . A A . 39 ILE C 1 1 26 31108 1 1 39 ILE CA C 3.807 3.177 5.155 1.00 . A A . 39 ILE CA 1 1 26 31109 1 1 39 ILE CB C 2.849 2.922 3.990 1.00 . A A . 39 ILE CB 1 1 26 31110 1 1 39 ILE CD1 C 1.456 5.074 4.431 1.00 . A A . 39 ILE CD1 1 1 26 31111 1 1 39 ILE CG1 C 2.310 4.255 3.456 1.00 . A A . 39 ILE CG1 1 1 26 31112 1 1 39 ILE CG2 C 1.688 2.003 4.368 1.00 . A A . 39 ILE CG2 1 1 26 31113 1 1 39 ILE H H 5.390 3.521 3.786 1.00 . A A . 39 ILE H 1 1 26 31114 1 1 39 ILE HA H 3.290 3.858 5.828 1.00 . A A . 39 ILE HA 1 1 26 31115 1 1 39 ILE HB H 3.389 2.437 3.181 1.00 . A A . 39 ILE HB 1 1 26 31116 1 1 39 ILE HD11 H 0.719 4.440 4.916 1.00 . A A . 39 ILE HD11 1 1 26 31117 1 1 39 ILE HD12 H 2.077 5.558 5.184 1.00 . A A . 39 ILE HD12 1 1 26 31118 1 1 39 ILE HD13 H 0.924 5.847 3.877 1.00 . A A . 39 ILE HD13 1 1 26 31119 1 1 39 ILE HG12 H 3.131 4.870 3.095 1.00 . A A . 39 ILE HG12 1 1 26 31120 1 1 39 ILE HG13 H 1.681 4.000 2.618 1.00 . A A . 39 ILE HG13 1 1 26 31121 1 1 39 ILE HG21 H 1.322 2.264 5.358 1.00 . A A . 39 ILE HG21 1 1 26 31122 1 1 39 ILE HG22 H 0.878 2.095 3.648 1.00 . A A . 39 ILE HG22 1 1 26 31123 1 1 39 ILE HG23 H 2.029 0.968 4.357 1.00 . A A . 39 ILE HG23 1 1 26 31124 1 1 39 ILE N N 5.026 3.805 4.683 1.00 . A A . 39 ILE N 1 1 26 31125 1 1 39 ILE O O 4.288 0.830 5.490 1.00 . A A . 39 ILE O 1 1 26 31126 1 1 40 ASP C C 3.368 0.775 8.881 1.00 . A A . 40 ASP C 1 1 26 31127 1 1 40 ASP CA C 4.689 1.286 8.323 1.00 . A A . 40 ASP CA 1 1 26 31128 1 1 40 ASP CB C 5.458 1.958 9.472 1.00 . A A . 40 ASP CB 1 1 26 31129 1 1 40 ASP CG C 6.773 2.626 9.088 1.00 . A A . 40 ASP CG 1 1 26 31130 1 1 40 ASP H H 4.184 3.199 7.498 1.00 . A A . 40 ASP H 1 1 26 31131 1 1 40 ASP HA H 5.287 0.467 7.921 1.00 . A A . 40 ASP HA 1 1 26 31132 1 1 40 ASP HB2 H 4.816 2.700 9.943 1.00 . A A . 40 ASP HB2 1 1 26 31133 1 1 40 ASP HB3 H 5.702 1.197 10.212 1.00 . A A . 40 ASP HB3 1 1 26 31134 1 1 40 ASP N N 4.370 2.237 7.266 1.00 . A A . 40 ASP N 1 1 26 31135 1 1 40 ASP O O 2.330 1.393 8.633 1.00 . A A . 40 ASP O 1 1 26 31136 1 1 40 ASP OD1 O 7.266 2.377 7.966 1.00 . A A . 40 ASP OD1 1 1 26 31137 1 1 40 ASP OD2 O 7.267 3.377 9.957 1.00 . A A . 40 ASP OD2 1 1 26 31138 1 1 41 LYS C C 1.193 0.041 10.733 1.00 . A A . 41 LYS C 1 1 26 31139 1 1 41 LYS CA C 2.235 -0.959 10.241 1.00 . A A . 41 LYS CA 1 1 26 31140 1 1 41 LYS CB C 2.674 -1.944 11.328 1.00 . A A . 41 LYS CB 1 1 26 31141 1 1 41 LYS CD C 4.032 -2.535 13.297 1.00 . A A . 41 LYS CD 1 1 26 31142 1 1 41 LYS CE C 4.636 -2.218 14.668 1.00 . A A . 41 LYS CE 1 1 26 31143 1 1 41 LYS CG C 3.402 -1.356 12.549 1.00 . A A . 41 LYS CG 1 1 26 31144 1 1 41 LYS H H 4.294 -0.791 9.778 1.00 . A A . 41 LYS H 1 1 26 31145 1 1 41 LYS HA H 1.783 -1.562 9.455 1.00 . A A . 41 LYS HA 1 1 26 31146 1 1 41 LYS HB2 H 1.789 -2.473 11.665 1.00 . A A . 41 LYS HB2 1 1 26 31147 1 1 41 LYS HB3 H 3.331 -2.670 10.856 1.00 . A A . 41 LYS HB3 1 1 26 31148 1 1 41 LYS HD2 H 3.267 -3.304 13.417 1.00 . A A . 41 LYS HD2 1 1 26 31149 1 1 41 LYS HD3 H 4.840 -2.903 12.662 1.00 . A A . 41 LYS HD3 1 1 26 31150 1 1 41 LYS HE2 H 5.443 -1.494 14.538 1.00 . A A . 41 LYS HE2 1 1 26 31151 1 1 41 LYS HE3 H 3.870 -1.789 15.317 1.00 . A A . 41 LYS HE3 1 1 26 31152 1 1 41 LYS HG2 H 4.192 -0.674 12.226 1.00 . A A . 41 LYS HG2 1 1 26 31153 1 1 41 LYS HG3 H 2.687 -0.839 13.190 1.00 . A A . 41 LYS HG3 1 1 26 31154 1 1 41 LYS HZ1 H 5.689 -3.248 16.144 1.00 . A A . 41 LYS HZ1 1 1 26 31155 1 1 41 LYS HZ2 H 4.451 -4.113 15.497 1.00 . A A . 41 LYS HZ2 1 1 26 31156 1 1 41 LYS HZ3 H 5.803 -3.957 14.669 1.00 . A A . 41 LYS HZ3 1 1 26 31157 1 1 41 LYS N N 3.401 -0.298 9.677 1.00 . A A . 41 LYS N 1 1 26 31158 1 1 41 LYS NZ N 5.178 -3.444 15.298 1.00 . A A . 41 LYS NZ 1 1 26 31159 1 1 41 LYS O O 0.016 -0.061 10.396 1.00 . A A . 41 LYS O 1 1 26 31160 1 1 42 LYS C C -0.102 2.675 10.917 1.00 . A A . 42 LYS C 1 1 26 31161 1 1 42 LYS CA C 0.893 2.174 11.957 1.00 . A A . 42 LYS CA 1 1 26 31162 1 1 42 LYS CB C 1.842 3.330 12.320 1.00 . A A . 42 LYS CB 1 1 26 31163 1 1 42 LYS CD C 2.985 2.239 14.325 1.00 . A A . 42 LYS CD 1 1 26 31164 1 1 42 LYS CE C 3.481 2.477 15.759 1.00 . A A . 42 LYS CE 1 1 26 31165 1 1 42 LYS CG C 2.168 3.430 13.808 1.00 . A A . 42 LYS CG 1 1 26 31166 1 1 42 LYS H H 2.660 1.016 11.648 1.00 . A A . 42 LYS H 1 1 26 31167 1 1 42 LYS HA H 0.298 1.841 12.805 1.00 . A A . 42 LYS HA 1 1 26 31168 1 1 42 LYS HB2 H 2.760 3.269 11.733 1.00 . A A . 42 LYS HB2 1 1 26 31169 1 1 42 LYS HB3 H 1.357 4.275 12.062 1.00 . A A . 42 LYS HB3 1 1 26 31170 1 1 42 LYS HD2 H 2.338 1.359 14.323 1.00 . A A . 42 LYS HD2 1 1 26 31171 1 1 42 LYS HD3 H 3.829 2.047 13.659 1.00 . A A . 42 LYS HD3 1 1 26 31172 1 1 42 LYS HE2 H 2.636 2.757 16.393 1.00 . A A . 42 LYS HE2 1 1 26 31173 1 1 42 LYS HE3 H 3.897 1.544 16.144 1.00 . A A . 42 LYS HE3 1 1 26 31174 1 1 42 LYS HG2 H 2.721 4.361 13.924 1.00 . A A . 42 LYS HG2 1 1 26 31175 1 1 42 LYS HG3 H 1.227 3.509 14.354 1.00 . A A . 42 LYS HG3 1 1 26 31176 1 1 42 LYS HZ1 H 4.837 3.633 16.787 1.00 . A A . 42 LYS HZ1 1 1 26 31177 1 1 42 LYS HZ2 H 5.318 3.271 15.258 1.00 . A A . 42 LYS HZ2 1 1 26 31178 1 1 42 LYS HZ3 H 4.161 4.411 15.512 1.00 . A A . 42 LYS HZ3 1 1 26 31179 1 1 42 LYS N N 1.665 1.031 11.492 1.00 . A A . 42 LYS N 1 1 26 31180 1 1 42 LYS NZ N 4.524 3.524 15.831 1.00 . A A . 42 LYS NZ 1 1 26 31181 1 1 42 LYS O O -1.291 2.761 11.198 1.00 . A A . 42 LYS O 1 1 26 31182 1 1 43 SER C C -1.030 2.439 7.888 1.00 . A A . 43 SER C 1 1 26 31183 1 1 43 SER CA C -0.420 3.595 8.677 1.00 . A A . 43 SER CA 1 1 26 31184 1 1 43 SER CB C 0.452 4.498 7.800 1.00 . A A . 43 SER CB 1 1 26 31185 1 1 43 SER H H 1.383 2.904 9.568 1.00 . A A . 43 SER H 1 1 26 31186 1 1 43 SER HA H -1.217 4.210 9.096 1.00 . A A . 43 SER HA 1 1 26 31187 1 1 43 SER HB2 H 1.206 3.904 7.282 1.00 . A A . 43 SER HB2 1 1 26 31188 1 1 43 SER HB3 H -0.180 4.999 7.068 1.00 . A A . 43 SER HB3 1 1 26 31189 1 1 43 SER HG H 1.692 5.988 8.072 1.00 . A A . 43 SER HG 1 1 26 31190 1 1 43 SER N N 0.396 3.052 9.745 1.00 . A A . 43 SER N 1 1 26 31191 1 1 43 SER O O -2.247 2.352 7.726 1.00 . A A . 43 SER O 1 1 26 31192 1 1 43 SER OG O 1.102 5.456 8.614 1.00 . A A . 43 SER OG 1 1 26 31193 1 1 44 ALA C C -1.687 -0.346 6.990 1.00 . A A . 44 ALA C 1 1 26 31194 1 1 44 ALA CA C -0.432 0.405 6.568 1.00 . A A . 44 ALA CA 1 1 26 31195 1 1 44 ALA CB C 0.781 -0.522 6.594 1.00 . A A . 44 ALA CB 1 1 26 31196 1 1 44 ALA H H 0.807 1.662 7.709 1.00 . A A . 44 ALA H 1 1 26 31197 1 1 44 ALA HA H -0.558 0.741 5.542 1.00 . A A . 44 ALA HA 1 1 26 31198 1 1 44 ALA HB1 H 0.862 -1.000 7.566 1.00 . A A . 44 ALA HB1 1 1 26 31199 1 1 44 ALA HB2 H 0.643 -1.288 5.833 1.00 . A A . 44 ALA HB2 1 1 26 31200 1 1 44 ALA HB3 H 1.699 0.038 6.407 1.00 . A A . 44 ALA HB3 1 1 26 31201 1 1 44 ALA N N -0.158 1.544 7.424 1.00 . A A . 44 ALA N 1 1 26 31202 1 1 44 ALA O O -2.588 -0.554 6.174 1.00 . A A . 44 ALA O 1 1 26 31203 1 1 45 HIS C C -4.001 -0.724 9.223 1.00 . A A . 45 HIS C 1 1 26 31204 1 1 45 HIS CA C -2.806 -1.572 8.786 1.00 . A A . 45 HIS CA 1 1 26 31205 1 1 45 HIS CB C -2.289 -2.435 9.943 1.00 . A A . 45 HIS CB 1 1 26 31206 1 1 45 HIS CD2 C -0.662 -4.070 8.740 1.00 . A A . 45 HIS CD2 1 1 26 31207 1 1 45 HIS CE1 C -1.569 -5.951 9.394 1.00 . A A . 45 HIS CE1 1 1 26 31208 1 1 45 HIS CG C -1.757 -3.781 9.521 1.00 . A A . 45 HIS CG 1 1 26 31209 1 1 45 HIS H H -1.010 -0.437 8.922 1.00 . A A . 45 HIS H 1 1 26 31210 1 1 45 HIS HA H -3.159 -2.248 8.006 1.00 . A A . 45 HIS HA 1 1 26 31211 1 1 45 HIS HB2 H -1.535 -1.912 10.526 1.00 . A A . 45 HIS HB2 1 1 26 31212 1 1 45 HIS HB3 H -3.123 -2.633 10.617 1.00 . A A . 45 HIS HB3 1 1 26 31213 1 1 45 HIS HD1 H -3.110 -5.089 10.524 1.00 . A A . 45 HIS HD1 1 1 26 31214 1 1 45 HIS HD2 H 0.008 -3.360 8.279 1.00 . A A . 45 HIS HD2 1 1 26 31215 1 1 45 HIS HE1 H -1.775 -6.990 9.570 1.00 . A A . 45 HIS HE1 1 1 26 31216 1 1 45 HIS N N -1.731 -0.749 8.265 1.00 . A A . 45 HIS N 1 1 26 31217 1 1 45 HIS ND1 N -2.311 -4.970 9.920 1.00 . A A . 45 HIS ND1 1 1 26 31218 1 1 45 HIS NE2 N -0.551 -5.466 8.664 1.00 . A A . 45 HIS NE2 1 1 26 31219 1 1 45 HIS O O -5.090 -1.268 9.405 1.00 . A A . 45 HIS O 1 1 26 31220 1 1 46 LYS C C -5.671 1.919 8.665 1.00 . A A . 46 LYS C 1 1 26 31221 1 1 46 LYS CA C -4.866 1.476 9.884 1.00 . A A . 46 LYS CA 1 1 26 31222 1 1 46 LYS CB C -4.191 2.608 10.688 1.00 . A A . 46 LYS CB 1 1 26 31223 1 1 46 LYS CD C -5.459 4.737 10.230 1.00 . A A . 46 LYS CD 1 1 26 31224 1 1 46 LYS CE C -6.064 6.098 10.619 1.00 . A A . 46 LYS CE 1 1 26 31225 1 1 46 LYS CG C -5.040 3.738 11.309 1.00 . A A . 46 LYS CG 1 1 26 31226 1 1 46 LYS H H -2.962 1.015 9.065 1.00 . A A . 46 LYS H 1 1 26 31227 1 1 46 LYS HA H -5.532 0.940 10.563 1.00 . A A . 46 LYS HA 1 1 26 31228 1 1 46 LYS HB2 H -3.692 2.115 11.523 1.00 . A A . 46 LYS HB2 1 1 26 31229 1 1 46 LYS HB3 H -3.425 3.063 10.063 1.00 . A A . 46 LYS HB3 1 1 26 31230 1 1 46 LYS HD2 H -4.581 4.914 9.608 1.00 . A A . 46 LYS HD2 1 1 26 31231 1 1 46 LYS HD3 H -6.235 4.204 9.705 1.00 . A A . 46 LYS HD3 1 1 26 31232 1 1 46 LYS HE2 H -7.021 5.932 11.118 1.00 . A A . 46 LYS HE2 1 1 26 31233 1 1 46 LYS HE3 H -5.391 6.598 11.316 1.00 . A A . 46 LYS HE3 1 1 26 31234 1 1 46 LYS HG2 H -5.907 3.319 11.816 1.00 . A A . 46 LYS HG2 1 1 26 31235 1 1 46 LYS HG3 H -4.408 4.254 12.032 1.00 . A A . 46 LYS HG3 1 1 26 31236 1 1 46 LYS HZ1 H -5.387 7.214 9.004 1.00 . A A . 46 LYS HZ1 1 1 26 31237 1 1 46 LYS HZ2 H -6.837 6.593 8.672 1.00 . A A . 46 LYS HZ2 1 1 26 31238 1 1 46 LYS HZ3 H -6.717 7.847 9.707 1.00 . A A . 46 LYS HZ3 1 1 26 31239 1 1 46 LYS N N -3.822 0.587 9.398 1.00 . A A . 46 LYS N 1 1 26 31240 1 1 46 LYS NZ N -6.272 6.985 9.434 1.00 . A A . 46 LYS NZ 1 1 26 31241 1 1 46 LYS O O -6.851 1.591 8.548 1.00 . A A . 46 LYS O 1 1 26 31242 1 1 47 ASP C C -4.556 3.835 5.706 1.00 . A A . 47 ASP C 1 1 26 31243 1 1 47 ASP CA C -5.648 3.396 6.676 1.00 . A A . 47 ASP CA 1 1 26 31244 1 1 47 ASP CB C -6.395 4.575 7.286 1.00 . A A . 47 ASP CB 1 1 26 31245 1 1 47 ASP CG C -7.053 5.581 6.387 1.00 . A A . 47 ASP CG 1 1 26 31246 1 1 47 ASP H H -4.029 2.813 7.927 1.00 . A A . 47 ASP H 1 1 26 31247 1 1 47 ASP HA H -6.361 2.763 6.158 1.00 . A A . 47 ASP HA 1 1 26 31248 1 1 47 ASP HB2 H -7.202 4.207 7.914 1.00 . A A . 47 ASP HB2 1 1 26 31249 1 1 47 ASP HB3 H -5.638 5.144 7.804 1.00 . A A . 47 ASP HB3 1 1 26 31250 1 1 47 ASP N N -5.022 2.663 7.769 1.00 . A A . 47 ASP N 1 1 26 31251 1 1 47 ASP O O -4.141 4.992 5.688 1.00 . A A . 47 ASP O 1 1 26 31252 1 1 47 ASP OD1 O -7.437 5.217 5.257 1.00 . A A . 47 ASP OD1 1 1 26 31253 1 1 47 ASP OD2 O -7.214 6.685 6.965 1.00 . A A . 47 ASP OD2 1 1 26 31254 1 1 48 ALA C C -3.287 1.919 2.853 1.00 . A A . 48 ALA C 1 1 26 31255 1 1 48 ALA CA C -3.197 3.116 3.793 1.00 . A A . 48 ALA CA 1 1 26 31256 1 1 48 ALA CB C -1.764 3.415 4.241 1.00 . A A . 48 ALA CB 1 1 26 31257 1 1 48 ALA H H -4.424 1.937 5.063 1.00 . A A . 48 ALA H 1 1 26 31258 1 1 48 ALA HA H -3.571 3.991 3.266 1.00 . A A . 48 ALA HA 1 1 26 31259 1 1 48 ALA HB1 H -1.121 3.491 3.363 1.00 . A A . 48 ALA HB1 1 1 26 31260 1 1 48 ALA HB2 H -1.739 4.362 4.778 1.00 . A A . 48 ALA HB2 1 1 26 31261 1 1 48 ALA HB3 H -1.396 2.632 4.896 1.00 . A A . 48 ALA HB3 1 1 26 31262 1 1 48 ALA N N -4.066 2.870 4.930 1.00 . A A . 48 ALA N 1 1 26 31263 1 1 48 ALA O O -3.826 2.035 1.757 1.00 . A A . 48 ALA O 1 1 26 31264 1 1 49 CYS C C -4.274 -1.166 2.922 1.00 . A A . 49 CYS C 1 1 26 31265 1 1 49 CYS CA C -2.963 -0.479 2.532 1.00 . A A . 49 CYS CA 1 1 26 31266 1 1 49 CYS CB C -1.777 -1.387 2.736 1.00 . A A . 49 CYS CB 1 1 26 31267 1 1 49 CYS H H -2.392 0.691 4.205 1.00 . A A . 49 CYS H 1 1 26 31268 1 1 49 CYS HA H -3.019 -0.250 1.473 1.00 . A A . 49 CYS HA 1 1 26 31269 1 1 49 CYS HB2 H -1.858 -1.838 3.717 1.00 . A A . 49 CYS HB2 1 1 26 31270 1 1 49 CYS HB3 H -1.807 -2.182 1.991 1.00 . A A . 49 CYS HB3 1 1 26 31271 1 1 49 CYS N N -2.822 0.750 3.296 1.00 . A A . 49 CYS N 1 1 26 31272 1 1 49 CYS O O -5.129 -1.446 2.079 1.00 . A A . 49 CYS O 1 1 26 31273 1 1 49 CYS SG S -0.150 -0.566 2.694 1.00 . A A . 49 CYS SG 1 1 26 31274 1 1 50 LYS C C -6.870 -1.362 4.777 1.00 . A A . 50 LYS C 1 1 26 31275 1 1 50 LYS CA C -5.608 -2.232 4.670 1.00 . A A . 50 LYS CA 1 1 26 31276 1 1 50 LYS CB C -5.236 -2.903 6.001 1.00 . A A . 50 LYS CB 1 1 26 31277 1 1 50 LYS CD C -6.196 -4.414 7.806 1.00 . A A . 50 LYS CD 1 1 26 31278 1 1 50 LYS CE C -7.374 -3.720 8.515 1.00 . A A . 50 LYS CE 1 1 26 31279 1 1 50 LYS CG C -6.146 -4.103 6.303 1.00 . A A . 50 LYS CG 1 1 26 31280 1 1 50 LYS H H -3.765 -1.172 4.891 1.00 . A A . 50 LYS H 1 1 26 31281 1 1 50 LYS HA H -5.798 -3.026 3.947 1.00 . A A . 50 LYS HA 1 1 26 31282 1 1 50 LYS HB2 H -4.212 -3.277 5.943 1.00 . A A . 50 LYS HB2 1 1 26 31283 1 1 50 LYS HB3 H -5.269 -2.155 6.791 1.00 . A A . 50 LYS HB3 1 1 26 31284 1 1 50 LYS HD2 H -6.334 -5.493 7.919 1.00 . A A . 50 LYS HD2 1 1 26 31285 1 1 50 LYS HD3 H -5.245 -4.153 8.274 1.00 . A A . 50 LYS HD3 1 1 26 31286 1 1 50 LYS HE2 H -8.310 -4.111 8.113 1.00 . A A . 50 LYS HE2 1 1 26 31287 1 1 50 LYS HE3 H -7.329 -3.968 9.578 1.00 . A A . 50 LYS HE3 1 1 26 31288 1 1 50 LYS HG2 H -7.158 -3.952 5.923 1.00 . A A . 50 LYS HG2 1 1 26 31289 1 1 50 LYS HG3 H -5.730 -4.969 5.780 1.00 . A A . 50 LYS HG3 1 1 26 31290 1 1 50 LYS HZ1 H -8.139 -1.828 8.855 1.00 . A A . 50 LYS HZ1 1 1 26 31291 1 1 50 LYS HZ2 H -6.506 -1.864 8.755 1.00 . A A . 50 LYS HZ2 1 1 26 31292 1 1 50 LYS HZ3 H -7.415 -1.973 7.392 1.00 . A A . 50 LYS HZ3 1 1 26 31293 1 1 50 LYS N N -4.471 -1.445 4.211 1.00 . A A . 50 LYS N 1 1 26 31294 1 1 50 LYS NZ N -7.363 -2.248 8.369 1.00 . A A . 50 LYS NZ 1 1 26 31295 1 1 50 LYS O O -7.500 -1.315 5.836 1.00 . A A . 50 LYS O 1 1 26 31296 1 1 51 THR C C -9.006 0.119 2.183 1.00 . A A . 51 THR C 1 1 26 31297 1 1 51 THR CA C -8.423 0.169 3.598 1.00 . A A . 51 THR CA 1 1 26 31298 1 1 51 THR CB C -8.089 1.588 4.096 1.00 . A A . 51 THR CB 1 1 26 31299 1 1 51 THR CG2 C -6.997 2.299 3.287 1.00 . A A . 51 THR CG2 1 1 26 31300 1 1 51 THR H H -6.660 -0.798 2.864 1.00 . A A . 51 THR H 1 1 26 31301 1 1 51 THR HA H -9.189 -0.229 4.265 1.00 . A A . 51 THR HA 1 1 26 31302 1 1 51 THR HB H -7.752 1.482 5.127 1.00 . A A . 51 THR HB 1 1 26 31303 1 1 51 THR HG1 H -8.970 3.289 4.410 1.00 . A A . 51 THR HG1 1 1 26 31304 1 1 51 THR HG21 H -6.710 3.218 3.795 1.00 . A A . 51 THR HG21 1 1 26 31305 1 1 51 THR HG22 H -6.118 1.665 3.187 1.00 . A A . 51 THR HG22 1 1 26 31306 1 1 51 THR HG23 H -7.364 2.580 2.300 1.00 . A A . 51 THR HG23 1 1 26 31307 1 1 51 THR N N -7.244 -0.689 3.686 1.00 . A A . 51 THR N 1 1 26 31308 1 1 51 THR O O -10.173 -0.226 2.007 1.00 . A A . 51 THR O 1 1 26 31309 1 1 51 THR OG1 O -9.236 2.407 4.118 1.00 . A A . 51 THR OG1 1 1 26 31310 1 1 52 CYS C C -9.172 -1.003 -0.603 1.00 . A A . 52 CYS C 1 1 26 31311 1 1 52 CYS CA C -8.617 0.367 -0.226 1.00 . A A . 52 CYS CA 1 1 26 31312 1 1 52 CYS CB C -7.456 0.709 -1.117 1.00 . A A . 52 CYS CB 1 1 26 31313 1 1 52 CYS H H -7.242 0.693 1.356 1.00 . A A . 52 CYS H 1 1 26 31314 1 1 52 CYS HA H -9.416 1.096 -0.378 1.00 . A A . 52 CYS HA 1 1 26 31315 1 1 52 CYS HB2 H -6.515 0.393 -0.665 1.00 . A A . 52 CYS HB2 1 1 26 31316 1 1 52 CYS HB3 H -7.559 0.176 -2.061 1.00 . A A . 52 CYS HB3 1 1 26 31317 1 1 52 CYS N N -8.189 0.401 1.165 1.00 . A A . 52 CYS N 1 1 26 31318 1 1 52 CYS O O -10.262 -1.105 -1.168 1.00 . A A . 52 CYS O 1 1 26 31319 1 1 52 CYS SG S -7.415 2.486 -1.491 1.00 . A A . 52 CYS SG 1 1 26 31320 1 1 53 HIS C C -9.889 -4.016 0.141 1.00 . A A . 53 HIS C 1 1 26 31321 1 1 53 HIS CA C -8.744 -3.424 -0.709 1.00 . A A . 53 HIS CA 1 1 26 31322 1 1 53 HIS CB C -7.478 -4.315 -0.690 1.00 . A A . 53 HIS CB 1 1 26 31323 1 1 53 HIS CD2 C -5.523 -3.469 -2.183 1.00 . A A . 53 HIS CD2 1 1 26 31324 1 1 53 HIS CE1 C -4.305 -2.523 -0.647 1.00 . A A . 53 HIS CE1 1 1 26 31325 1 1 53 HIS CG C -6.159 -3.631 -0.975 1.00 . A A . 53 HIS CG 1 1 26 31326 1 1 53 HIS H H -7.534 -1.891 0.151 1.00 . A A . 53 HIS H 1 1 26 31327 1 1 53 HIS HA H -9.083 -3.375 -1.745 1.00 . A A . 53 HIS HA 1 1 26 31328 1 1 53 HIS HB2 H -7.382 -4.772 0.296 1.00 . A A . 53 HIS HB2 1 1 26 31329 1 1 53 HIS HB3 H -7.618 -5.135 -1.394 1.00 . A A . 53 HIS HB3 1 1 26 31330 1 1 53 HIS HD1 H -5.566 -2.802 0.952 1.00 . A A . 53 HIS HD1 1 1 26 31331 1 1 53 HIS HD2 H -5.835 -3.788 -3.160 1.00 . A A . 53 HIS HD2 1 1 26 31332 1 1 53 HIS HE1 H -3.545 -1.944 -0.165 1.00 . A A . 53 HIS HE1 1 1 26 31333 1 1 53 HIS N N -8.425 -2.064 -0.287 1.00 . A A . 53 HIS N 1 1 26 31334 1 1 53 HIS ND1 N -5.374 -3.029 -0.021 1.00 . A A . 53 HIS ND1 1 1 26 31335 1 1 53 HIS NE2 N -4.344 -2.752 -1.959 1.00 . A A . 53 HIS NE2 1 1 26 31336 1 1 53 HIS O O -9.771 -5.131 0.644 1.00 . A A . 53 HIS O 1 1 26 31337 1 1 54 LYS C C -13.285 -4.011 -0.004 1.00 . A A . 54 LYS C 1 1 26 31338 1 1 54 LYS CA C -12.196 -3.692 1.016 1.00 . A A . 54 LYS CA 1 1 26 31339 1 1 54 LYS CB C -12.677 -2.600 1.975 1.00 . A A . 54 LYS CB 1 1 26 31340 1 1 54 LYS CD C -12.127 -1.515 4.227 1.00 . A A . 54 LYS CD 1 1 26 31341 1 1 54 LYS CE C -13.588 -1.402 4.695 1.00 . A A . 54 LYS CE 1 1 26 31342 1 1 54 LYS CG C -11.842 -2.660 3.254 1.00 . A A . 54 LYS CG 1 1 26 31343 1 1 54 LYS H H -10.992 -2.356 -0.112 1.00 . A A . 54 LYS H 1 1 26 31344 1 1 54 LYS HA H -12.005 -4.569 1.633 1.00 . A A . 54 LYS HA 1 1 26 31345 1 1 54 LYS HB2 H -12.603 -1.619 1.503 1.00 . A A . 54 LYS HB2 1 1 26 31346 1 1 54 LYS HB3 H -13.716 -2.814 2.226 1.00 . A A . 54 LYS HB3 1 1 26 31347 1 1 54 LYS HD2 H -11.497 -1.710 5.093 1.00 . A A . 54 LYS HD2 1 1 26 31348 1 1 54 LYS HD3 H -11.801 -0.579 3.776 1.00 . A A . 54 LYS HD3 1 1 26 31349 1 1 54 LYS HE2 H -14.002 -2.400 4.852 1.00 . A A . 54 LYS HE2 1 1 26 31350 1 1 54 LYS HE3 H -13.598 -0.875 5.652 1.00 . A A . 54 LYS HE3 1 1 26 31351 1 1 54 LYS HG2 H -12.017 -3.612 3.756 1.00 . A A . 54 LYS HG2 1 1 26 31352 1 1 54 LYS HG3 H -10.786 -2.614 2.979 1.00 . A A . 54 LYS HG3 1 1 26 31353 1 1 54 LYS HZ1 H -14.068 0.302 3.644 1.00 . A A . 54 LYS HZ1 1 1 26 31354 1 1 54 LYS HZ2 H -14.444 -1.083 2.846 1.00 . A A . 54 LYS HZ2 1 1 26 31355 1 1 54 LYS HZ3 H -15.377 -0.581 4.100 1.00 . A A . 54 LYS HZ3 1 1 26 31356 1 1 54 LYS N N -10.984 -3.269 0.325 1.00 . A A . 54 LYS N 1 1 26 31357 1 1 54 LYS NZ N -14.430 -0.636 3.750 1.00 . A A . 54 LYS NZ 1 1 26 31358 1 1 54 LYS O O -13.837 -5.106 -0.007 1.00 . A A . 54 LYS O 1 1 26 31359 1 1 55 SER C C -14.129 -4.090 -2.988 1.00 . A A . 55 SER C 1 1 26 31360 1 1 55 SER CA C -14.649 -3.195 -1.864 1.00 . A A . 55 SER CA 1 1 26 31361 1 1 55 SER CB C -15.081 -1.830 -2.412 1.00 . A A . 55 SER CB 1 1 26 31362 1 1 55 SER H H -13.116 -2.154 -0.801 1.00 . A A . 55 SER H 1 1 26 31363 1 1 55 SER HA H -15.523 -3.670 -1.417 1.00 . A A . 55 SER HA 1 1 26 31364 1 1 55 SER HB2 H -14.279 -1.382 -3.002 1.00 . A A . 55 SER HB2 1 1 26 31365 1 1 55 SER HB3 H -15.945 -1.977 -3.064 1.00 . A A . 55 SER HB3 1 1 26 31366 1 1 55 SER HG H -14.644 -0.602 -0.956 1.00 . A A . 55 SER HG 1 1 26 31367 1 1 55 SER N N -13.621 -3.025 -0.843 1.00 . A A . 55 SER N 1 1 26 31368 1 1 55 SER O O -14.882 -4.858 -3.581 1.00 . A A . 55 SER O 1 1 26 31369 1 1 55 SER OG O -15.440 -0.969 -1.346 1.00 . A A . 55 SER OG 1 1 26 31370 1 1 56 ASN C C -12.148 -6.202 -3.918 1.00 . A A . 56 ASN C 1 1 26 31371 1 1 56 ASN CA C -12.194 -4.738 -4.340 1.00 . A A . 56 ASN CA 1 1 26 31372 1 1 56 ASN CB C -10.770 -4.236 -4.600 1.00 . A A . 56 ASN CB 1 1 26 31373 1 1 56 ASN CG C -10.707 -2.779 -5.046 1.00 . A A . 56 ASN CG 1 1 26 31374 1 1 56 ASN H H -12.278 -3.306 -2.770 1.00 . A A . 56 ASN H 1 1 26 31375 1 1 56 ASN HA H -12.777 -4.640 -5.258 1.00 . A A . 56 ASN HA 1 1 26 31376 1 1 56 ASN HB2 H -10.181 -4.352 -3.690 1.00 . A A . 56 ASN HB2 1 1 26 31377 1 1 56 ASN HB3 H -10.322 -4.851 -5.382 1.00 . A A . 56 ASN HB3 1 1 26 31378 1 1 56 ASN HD21 H -8.691 -2.892 -5.224 1.00 . A A . 56 ASN HD21 1 1 26 31379 1 1 56 ASN HD22 H -9.426 -1.321 -5.547 1.00 . A A . 56 ASN HD22 1 1 26 31380 1 1 56 ASN N N -12.837 -3.959 -3.295 1.00 . A A . 56 ASN N 1 1 26 31381 1 1 56 ASN ND2 N -9.500 -2.292 -5.292 1.00 . A A . 56 ASN ND2 1 1 26 31382 1 1 56 ASN O O -12.010 -6.509 -2.736 1.00 . A A . 56 ASN O 1 1 26 31383 1 1 56 ASN OD1 O -11.715 -2.087 -5.155 1.00 . A A . 56 ASN OD1 1 1 26 31384 1 1 57 ASN C C -10.791 -8.986 -4.405 1.00 . A A . 57 ASN C 1 1 26 31385 1 1 57 ASN CA C -12.234 -8.535 -4.621 1.00 . A A . 57 ASN CA 1 1 26 31386 1 1 57 ASN CB C -12.908 -9.290 -5.774 1.00 . A A . 57 ASN CB 1 1 26 31387 1 1 57 ASN CG C -13.141 -10.757 -5.415 1.00 . A A . 57 ASN CG 1 1 26 31388 1 1 57 ASN H H -12.240 -6.784 -5.848 1.00 . A A . 57 ASN H 1 1 26 31389 1 1 57 ASN HA H -12.819 -8.730 -3.720 1.00 . A A . 57 ASN HA 1 1 26 31390 1 1 57 ASN HB2 H -13.868 -8.817 -5.983 1.00 . A A . 57 ASN HB2 1 1 26 31391 1 1 57 ASN HB3 H -12.292 -9.236 -6.672 1.00 . A A . 57 ASN HB3 1 1 26 31392 1 1 57 ASN HD21 H -15.082 -10.687 -6.037 1.00 . A A . 57 ASN HD21 1 1 26 31393 1 1 57 ASN HD22 H -14.521 -12.222 -5.400 1.00 . A A . 57 ASN HD22 1 1 26 31394 1 1 57 ASN N N -12.241 -7.106 -4.891 1.00 . A A . 57 ASN N 1 1 26 31395 1 1 57 ASN ND2 N -14.352 -11.258 -5.641 1.00 . A A . 57 ASN ND2 1 1 26 31396 1 1 57 ASN O O -10.016 -9.028 -5.357 1.00 . A A . 57 ASN O 1 1 26 31397 1 1 57 ASN OD1 O -12.251 -11.439 -4.919 1.00 . A A . 57 ASN OD1 1 1 26 31398 1 1 58 GLY C C -9.079 -10.207 -1.357 1.00 . A A . 58 GLY C 1 1 26 31399 1 1 58 GLY CA C -9.083 -9.741 -2.812 1.00 . A A . 58 GLY CA 1 1 26 31400 1 1 58 GLY H H -11.074 -9.212 -2.393 1.00 . A A . 58 GLY H 1 1 26 31401 1 1 58 GLY HA2 H -8.798 -10.568 -3.462 1.00 . A A . 58 GLY HA2 1 1 26 31402 1 1 58 GLY HA3 H -8.382 -8.914 -2.937 1.00 . A A . 58 GLY HA3 1 1 26 31403 1 1 58 GLY N N -10.418 -9.288 -3.161 1.00 . A A . 58 GLY N 1 1 26 31404 1 1 58 GLY O O -10.103 -10.090 -0.682 1.00 . A A . 58 GLY O 1 1 26 31405 1 1 59 PRO C C -7.859 -10.008 1.465 1.00 . A A . 59 PRO C 1 1 26 31406 1 1 59 PRO CA C -7.824 -11.202 0.508 1.00 . A A . 59 PRO CA 1 1 26 31407 1 1 59 PRO CB C -6.487 -11.944 0.566 1.00 . A A . 59 PRO CB 1 1 26 31408 1 1 59 PRO CD C -6.709 -10.932 -1.592 1.00 . A A . 59 PRO CD 1 1 26 31409 1 1 59 PRO CG C -5.668 -11.251 -0.521 1.00 . A A . 59 PRO CG 1 1 26 31410 1 1 59 PRO HA H -8.638 -11.887 0.754 1.00 . A A . 59 PRO HA 1 1 26 31411 1 1 59 PRO HB2 H -6.012 -11.886 1.546 1.00 . A A . 59 PRO HB2 1 1 26 31412 1 1 59 PRO HB3 H -6.640 -12.989 0.286 1.00 . A A . 59 PRO HB3 1 1 26 31413 1 1 59 PRO HD2 H -6.414 -10.038 -2.145 1.00 . A A . 59 PRO HD2 1 1 26 31414 1 1 59 PRO HD3 H -6.809 -11.777 -2.275 1.00 . A A . 59 PRO HD3 1 1 26 31415 1 1 59 PRO HG2 H -5.274 -10.315 -0.123 1.00 . A A . 59 PRO HG2 1 1 26 31416 1 1 59 PRO HG3 H -4.857 -11.876 -0.899 1.00 . A A . 59 PRO HG3 1 1 26 31417 1 1 59 PRO N N -7.954 -10.750 -0.867 1.00 . A A . 59 PRO N 1 1 26 31418 1 1 59 PRO O O -7.421 -8.912 1.123 1.00 . A A . 59 PRO O 1 1 26 31419 1 1 60 THR C C -7.994 -9.345 4.913 1.00 . A A . 60 THR C 1 1 26 31420 1 1 60 THR CA C -8.770 -9.184 3.607 1.00 . A A . 60 THR CA 1 1 26 31421 1 1 60 THR CB C -10.278 -9.290 3.852 1.00 . A A . 60 THR CB 1 1 26 31422 1 1 60 THR CG2 C -11.053 -8.771 2.637 1.00 . A A . 60 THR CG2 1 1 26 31423 1 1 60 THR H H -8.753 -11.150 2.883 1.00 . A A . 60 THR H 1 1 26 31424 1 1 60 THR HA H -8.545 -8.193 3.212 1.00 . A A . 60 THR HA 1 1 26 31425 1 1 60 THR HB H -10.551 -8.691 4.725 1.00 . A A . 60 THR HB 1 1 26 31426 1 1 60 THR HG1 H -11.555 -10.756 4.005 1.00 . A A . 60 THR HG1 1 1 26 31427 1 1 60 THR HG21 H -10.760 -7.742 2.420 1.00 . A A . 60 THR HG21 1 1 26 31428 1 1 60 THR HG22 H -10.842 -9.386 1.760 1.00 . A A . 60 THR HG22 1 1 26 31429 1 1 60 THR HG23 H -12.123 -8.795 2.837 1.00 . A A . 60 THR HG23 1 1 26 31430 1 1 60 THR N N -8.404 -10.229 2.662 1.00 . A A . 60 THR N 1 1 26 31431 1 1 60 THR O O -7.586 -8.352 5.512 1.00 . A A . 60 THR O 1 1 26 31432 1 1 60 THR OG1 O -10.601 -10.654 4.071 1.00 . A A . 60 THR OG1 1 1 26 31433 1 1 61 LYS C C -5.474 -10.733 6.020 1.00 . A A . 61 LYS C 1 1 26 31434 1 1 61 LYS CA C -6.927 -10.906 6.468 1.00 . A A . 61 LYS CA 1 1 26 31435 1 1 61 LYS CB C -7.230 -12.299 7.043 1.00 . A A . 61 LYS CB 1 1 26 31436 1 1 61 LYS CD C -8.806 -13.553 8.593 1.00 . A A . 61 LYS CD 1 1 26 31437 1 1 61 LYS CE C -8.242 -13.210 9.984 1.00 . A A . 61 LYS CE 1 1 26 31438 1 1 61 LYS CG C -8.652 -12.372 7.621 1.00 . A A . 61 LYS CG 1 1 26 31439 1 1 61 LYS H H -8.231 -11.348 4.838 1.00 . A A . 61 LYS H 1 1 26 31440 1 1 61 LYS HA H -7.097 -10.179 7.265 1.00 . A A . 61 LYS HA 1 1 26 31441 1 1 61 LYS HB2 H -7.130 -13.065 6.274 1.00 . A A . 61 LYS HB2 1 1 26 31442 1 1 61 LYS HB3 H -6.499 -12.496 7.827 1.00 . A A . 61 LYS HB3 1 1 26 31443 1 1 61 LYS HD2 H -9.871 -13.779 8.686 1.00 . A A . 61 LYS HD2 1 1 26 31444 1 1 61 LYS HD3 H -8.305 -14.426 8.168 1.00 . A A . 61 LYS HD3 1 1 26 31445 1 1 61 LYS HE2 H -7.207 -12.873 9.901 1.00 . A A . 61 LYS HE2 1 1 26 31446 1 1 61 LYS HE3 H -8.831 -12.396 10.413 1.00 . A A . 61 LYS HE3 1 1 26 31447 1 1 61 LYS HG2 H -8.906 -11.442 8.132 1.00 . A A . 61 LYS HG2 1 1 26 31448 1 1 61 LYS HG3 H -9.351 -12.498 6.790 1.00 . A A . 61 LYS HG3 1 1 26 31449 1 1 61 LYS HZ1 H -7.927 -14.085 11.814 1.00 . A A . 61 LYS HZ1 1 1 26 31450 1 1 61 LYS HZ2 H -9.225 -14.701 11.019 1.00 . A A . 61 LYS HZ2 1 1 26 31451 1 1 61 LYS HZ3 H -7.698 -15.112 10.556 1.00 . A A . 61 LYS HZ3 1 1 26 31452 1 1 61 LYS N N -7.806 -10.595 5.356 1.00 . A A . 61 LYS N 1 1 26 31453 1 1 61 LYS NZ N -8.278 -14.364 10.908 1.00 . A A . 61 LYS NZ 1 1 26 31454 1 1 61 LYS O O -4.988 -9.606 5.979 1.00 . A A . 61 LYS O 1 1 26 31455 1 1 62 CYS C C -3.074 -12.305 3.970 1.00 . A A . 62 CYS C 1 1 26 31456 1 1 62 CYS CA C -3.348 -11.782 5.375 1.00 . A A . 62 CYS CA 1 1 26 31457 1 1 62 CYS CB C -2.478 -12.456 6.417 1.00 . A A . 62 CYS CB 1 1 26 31458 1 1 62 CYS H H -5.262 -12.694 5.552 1.00 . A A . 62 CYS H 1 1 26 31459 1 1 62 CYS HA H -3.022 -10.760 5.317 1.00 . A A . 62 CYS HA 1 1 26 31460 1 1 62 CYS HB2 H -2.396 -13.514 6.167 1.00 . A A . 62 CYS HB2 1 1 26 31461 1 1 62 CYS HB3 H -1.486 -12.003 6.354 1.00 . A A . 62 CYS HB3 1 1 26 31462 1 1 62 CYS N N -4.773 -11.824 5.690 1.00 . A A . 62 CYS N 1 1 26 31463 1 1 62 CYS O O -3.998 -12.531 3.192 1.00 . A A . 62 CYS O 1 1 26 31464 1 1 62 CYS SG S -3.043 -12.373 8.148 1.00 . A A . 62 CYS SG 1 1 26 31465 1 1 63 GLY C C -1.319 -11.914 1.257 1.00 . A A . 63 GLY C 1 1 26 31466 1 1 63 GLY CA C -1.364 -12.990 2.339 1.00 . A A . 63 GLY CA 1 1 26 31467 1 1 63 GLY H H -1.090 -12.109 4.264 1.00 . A A . 63 GLY H 1 1 26 31468 1 1 63 GLY HA2 H -0.367 -13.415 2.458 1.00 . A A . 63 GLY HA2 1 1 26 31469 1 1 63 GLY HA3 H -2.042 -13.784 2.022 1.00 . A A . 63 GLY HA3 1 1 26 31470 1 1 63 GLY N N -1.794 -12.430 3.616 1.00 . A A . 63 GLY N 1 1 26 31471 1 1 63 GLY O O -0.380 -11.867 0.471 1.00 . A A . 63 GLY O 1 1 26 31472 1 1 64 GLY C C -1.158 -9.212 -0.007 1.00 . A A . 64 GLY C 1 1 26 31473 1 1 64 GLY CA C -2.472 -9.919 0.327 1.00 . A A . 64 GLY CA 1 1 26 31474 1 1 64 GLY H H -3.083 -11.211 1.900 1.00 . A A . 64 GLY H 1 1 26 31475 1 1 64 GLY HA2 H -2.928 -10.271 -0.598 1.00 . A A . 64 GLY HA2 1 1 26 31476 1 1 64 GLY HA3 H -3.134 -9.192 0.803 1.00 . A A . 64 GLY HA3 1 1 26 31477 1 1 64 GLY N N -2.326 -11.035 1.252 1.00 . A A . 64 GLY N 1 1 26 31478 1 1 64 GLY O O -0.877 -8.934 -1.169 1.00 . A A . 64 GLY O 1 1 26 31479 1 1 65 CYS C C 2.029 -8.696 1.380 1.00 . A A . 65 CYS C 1 1 26 31480 1 1 65 CYS CA C 0.754 -7.980 0.934 1.00 . A A . 65 CYS CA 1 1 26 31481 1 1 65 CYS CB C 0.456 -6.749 1.755 1.00 . A A . 65 CYS CB 1 1 26 31482 1 1 65 CYS H H -0.711 -9.143 1.946 1.00 . A A . 65 CYS H 1 1 26 31483 1 1 65 CYS HA H 0.905 -7.662 -0.097 1.00 . A A . 65 CYS HA 1 1 26 31484 1 1 65 CYS HB2 H 0.528 -7.031 2.802 1.00 . A A . 65 CYS HB2 1 1 26 31485 1 1 65 CYS HB3 H 1.184 -5.965 1.550 1.00 . A A . 65 CYS HB3 1 1 26 31486 1 1 65 CYS N N -0.385 -8.883 1.031 1.00 . A A . 65 CYS N 1 1 26 31487 1 1 65 CYS O O 3.020 -8.717 0.655 1.00 . A A . 65 CYS O 1 1 26 31488 1 1 65 CYS SG S -1.227 -6.151 1.367 1.00 . A A . 65 CYS SG 1 1 26 31489 1 1 66 HIS C C 3.227 -11.378 2.287 1.00 . A A . 66 HIS C 1 1 26 31490 1 1 66 HIS CA C 3.149 -10.069 3.061 1.00 . A A . 66 HIS CA 1 1 26 31491 1 1 66 HIS CB C 3.003 -10.412 4.550 1.00 . A A . 66 HIS CB 1 1 26 31492 1 1 66 HIS CD2 C 1.749 -8.707 5.955 1.00 . A A . 66 HIS CD2 1 1 26 31493 1 1 66 HIS CE1 C 3.415 -7.553 6.770 1.00 . A A . 66 HIS CE1 1 1 26 31494 1 1 66 HIS CG C 2.906 -9.232 5.464 1.00 . A A . 66 HIS CG 1 1 26 31495 1 1 66 HIS H H 1.169 -9.270 3.122 1.00 . A A . 66 HIS H 1 1 26 31496 1 1 66 HIS HA H 4.069 -9.497 2.927 1.00 . A A . 66 HIS HA 1 1 26 31497 1 1 66 HIS HB2 H 2.123 -11.040 4.686 1.00 . A A . 66 HIS HB2 1 1 26 31498 1 1 66 HIS HB3 H 3.874 -11.000 4.835 1.00 . A A . 66 HIS HB3 1 1 26 31499 1 1 66 HIS HD1 H 4.942 -8.634 5.790 1.00 . A A . 66 HIS HD1 1 1 26 31500 1 1 66 HIS HD2 H 0.739 -9.012 5.774 1.00 . A A . 66 HIS HD2 1 1 26 31501 1 1 66 HIS HE1 H 3.966 -6.806 7.317 1.00 . A A . 66 HIS HE1 1 1 26 31502 1 1 66 HIS N N 2.013 -9.297 2.575 1.00 . A A . 66 HIS N 1 1 26 31503 1 1 66 HIS ND1 N 3.952 -8.527 6.010 1.00 . A A . 66 HIS ND1 1 1 26 31504 1 1 66 HIS NE2 N 2.077 -7.640 6.774 1.00 . A A . 66 HIS NE2 1 1 26 31505 1 1 66 HIS O O 2.410 -12.266 2.531 1.00 . A A . 66 HIS O 1 1 26 31506 1 1 67 ILE C C 5.135 -13.707 1.920 1.00 . A A . 67 ILE C 1 1 26 31507 1 1 67 ILE CA C 4.511 -12.830 0.830 1.00 . A A . 67 ILE CA 1 1 26 31508 1 1 67 ILE CB C 5.437 -12.667 -0.389 1.00 . A A . 67 ILE CB 1 1 26 31509 1 1 67 ILE CD1 C 3.536 -11.946 -1.993 1.00 . A A . 67 ILE CD1 1 1 26 31510 1 1 67 ILE CG1 C 4.916 -11.632 -1.404 1.00 . A A . 67 ILE CG1 1 1 26 31511 1 1 67 ILE CG2 C 5.670 -14.025 -1.069 1.00 . A A . 67 ILE CG2 1 1 26 31512 1 1 67 ILE H H 4.892 -10.781 1.289 1.00 . A A . 67 ILE H 1 1 26 31513 1 1 67 ILE HA H 3.578 -13.286 0.496 1.00 . A A . 67 ILE HA 1 1 26 31514 1 1 67 ILE HB H 6.406 -12.303 -0.042 1.00 . A A . 67 ILE HB 1 1 26 31515 1 1 67 ILE HD11 H 3.548 -12.900 -2.518 1.00 . A A . 67 ILE HD11 1 1 26 31516 1 1 67 ILE HD12 H 2.777 -11.967 -1.209 1.00 . A A . 67 ILE HD12 1 1 26 31517 1 1 67 ILE HD13 H 3.271 -11.163 -2.704 1.00 . A A . 67 ILE HD13 1 1 26 31518 1 1 67 ILE HG12 H 4.868 -10.653 -0.926 1.00 . A A . 67 ILE HG12 1 1 26 31519 1 1 67 ILE HG13 H 5.629 -11.562 -2.226 1.00 . A A . 67 ILE HG13 1 1 26 31520 1 1 67 ILE HG21 H 6.269 -13.890 -1.970 1.00 . A A . 67 ILE HG21 1 1 26 31521 1 1 67 ILE HG22 H 6.208 -14.693 -0.396 1.00 . A A . 67 ILE HG22 1 1 26 31522 1 1 67 ILE HG23 H 4.722 -14.490 -1.336 1.00 . A A . 67 ILE HG23 1 1 26 31523 1 1 67 ILE N N 4.233 -11.536 1.430 1.00 . A A . 67 ILE N 1 1 26 31524 1 1 67 ILE O O 6.254 -13.436 2.357 1.00 . A A . 67 ILE O 1 1 26 31525 1 1 68 LYS C C 4.035 -16.948 3.124 1.00 . A A . 68 LYS C 1 1 26 31526 1 1 68 LYS CA C 4.905 -15.713 3.330 1.00 . A A . 68 LYS CA 1 1 26 31527 1 1 68 LYS CB C 4.784 -15.168 4.763 1.00 . A A . 68 LYS CB 1 1 26 31528 1 1 68 LYS CD C 4.749 -16.709 6.826 1.00 . A A . 68 LYS CD 1 1 26 31529 1 1 68 LYS CE C 4.070 -17.958 6.241 1.00 . A A . 68 LYS CE 1 1 26 31530 1 1 68 LYS CG C 5.605 -15.981 5.777 1.00 . A A . 68 LYS CG 1 1 26 31531 1 1 68 LYS H H 3.476 -14.934 2.065 1.00 . A A . 68 LYS H 1 1 26 31532 1 1 68 LYS HA H 5.942 -15.952 3.091 1.00 . A A . 68 LYS HA 1 1 26 31533 1 1 68 LYS HB2 H 5.171 -14.148 4.772 1.00 . A A . 68 LYS HB2 1 1 26 31534 1 1 68 LYS HB3 H 3.731 -15.129 5.047 1.00 . A A . 68 LYS HB3 1 1 26 31535 1 1 68 LYS HD2 H 5.416 -17.006 7.637 1.00 . A A . 68 LYS HD2 1 1 26 31536 1 1 68 LYS HD3 H 3.996 -16.021 7.209 1.00 . A A . 68 LYS HD3 1 1 26 31537 1 1 68 LYS HE2 H 3.303 -17.655 5.528 1.00 . A A . 68 LYS HE2 1 1 26 31538 1 1 68 LYS HE3 H 4.817 -18.565 5.726 1.00 . A A . 68 LYS HE3 1 1 26 31539 1 1 68 LYS HG2 H 6.240 -16.700 5.254 1.00 . A A . 68 LYS HG2 1 1 26 31540 1 1 68 LYS HG3 H 6.266 -15.285 6.298 1.00 . A A . 68 LYS HG3 1 1 26 31541 1 1 68 LYS HZ1 H 3.019 -19.604 6.807 1.00 . A A . 68 LYS HZ1 1 1 26 31542 1 1 68 LYS HZ2 H 4.120 -19.128 7.931 1.00 . A A . 68 LYS HZ2 1 1 26 31543 1 1 68 LYS HZ3 H 2.705 -18.292 7.745 1.00 . A A . 68 LYS HZ3 1 1 26 31544 1 1 68 LYS N N 4.415 -14.727 2.391 1.00 . A A . 68 LYS N 1 1 26 31545 1 1 68 LYS NZ N 3.432 -18.804 7.267 1.00 . A A . 68 LYS NZ 1 1 26 31546 1 1 68 LYS O O 2.859 -16.735 2.753 1.00 . A A . 68 LYS O 1 1 26 31547 1 1 68 LYS OXT O 4.540 -18.063 3.373 1.00 . A A . 68 LYS OXT 1 1 26 31548 2 2 1 HEC C1A C 7.340 7.647 -3.559 1.00 . B A . 69 HEC C1A 1 1 26 31549 2 2 1 HEC C1B C 4.791 9.206 -6.590 1.00 . B A . 69 HEC C1B 1 1 26 31550 2 2 1 HEC C1C C 1.758 6.444 -5.443 1.00 . B A . 69 HEC C1C 1 1 26 31551 2 2 1 HEC C1D C 4.065 5.442 -2.018 1.00 . B A . 69 HEC C1D 1 1 26 31552 2 2 1 HEC C2A C 8.493 8.455 -3.880 1.00 . B A . 69 HEC C2A 1 1 26 31553 2 2 1 HEC C2B C 4.076 9.800 -7.691 1.00 . B A . 69 HEC C2B 1 1 26 31554 2 2 1 HEC C2C C 0.573 5.708 -5.067 1.00 . B A . 69 HEC C2C 1 1 26 31555 2 2 1 HEC C2D C 4.773 4.876 -0.897 1.00 . B A . 69 HEC C2D 1 1 26 31556 2 2 1 HEC C3A C 8.114 9.303 -4.893 1.00 . B A . 69 HEC C3A 1 1 26 31557 2 2 1 HEC C3B C 2.922 9.070 -7.867 1.00 . B A . 69 HEC C3B 1 1 26 31558 2 2 1 HEC C3C C 0.779 5.238 -3.789 1.00 . B A . 69 HEC C3C 1 1 26 31559 2 2 1 HEC C3D C 6.071 5.298 -0.998 1.00 . B A . 69 HEC C3D 1 1 26 31560 2 2 1 HEC C4A C 6.737 8.998 -5.203 1.00 . B A . 69 HEC C4A 1 1 26 31561 2 2 1 HEC C4B C 2.913 8.042 -6.843 1.00 . B A . 69 HEC C4B 1 1 26 31562 2 2 1 HEC C4C C 2.141 5.577 -3.436 1.00 . B A . 69 HEC C4C 1 1 26 31563 2 2 1 HEC C4D C 6.159 6.102 -2.186 1.00 . B A . 69 HEC C4D 1 1 26 31564 2 2 1 HEC CAA C 9.859 8.379 -3.229 1.00 . B A . 69 HEC CAA 1 1 26 31565 2 2 1 HEC CAB C 1.745 9.486 -8.727 1.00 . B A . 69 HEC CAB 1 1 26 31566 2 2 1 HEC CAC C -0.272 4.681 -2.843 1.00 . B A . 69 HEC CAC 1 1 26 31567 2 2 1 HEC CAD C 7.109 5.302 0.088 1.00 . B A . 69 HEC CAD 1 1 26 31568 2 2 1 HEC CBA C 10.754 7.286 -3.819 1.00 . B A . 69 HEC CBA 1 1 26 31569 2 2 1 HEC CBB C 2.045 9.662 -10.223 1.00 . B A . 69 HEC CBB 1 1 26 31570 2 2 1 HEC CBC C -0.776 3.280 -3.204 1.00 . B A . 69 HEC CBC 1 1 26 31571 2 2 1 HEC CBD C 8.316 4.379 -0.080 1.00 . B A . 69 HEC CBD 1 1 26 31572 2 2 1 HEC CGA C 11.020 7.501 -5.311 1.00 . B A . 69 HEC CGA 1 1 26 31573 2 2 1 HEC CGD C 9.359 4.716 0.991 1.00 . B A . 69 HEC CGD 1 1 26 31574 2 2 1 HEC CHA C 7.308 6.742 -2.534 1.00 . B A . 69 HEC CHA 1 1 26 31575 2 2 1 HEC CHB C 6.032 9.638 -6.183 1.00 . B A . 69 HEC CHB 1 1 26 31576 2 2 1 HEC CHC C 1.850 7.187 -6.599 1.00 . B A . 69 HEC CHC 1 1 26 31577 2 2 1 HEC CHD C 2.750 5.184 -2.264 1.00 . B A . 69 HEC CHD 1 1 26 31578 2 2 1 HEC CMA C 9.005 10.261 -5.652 1.00 . B A . 69 HEC CMA 1 1 26 31579 2 2 1 HEC CMB C 4.511 11.021 -8.474 1.00 . B A . 69 HEC CMB 1 1 26 31580 2 2 1 HEC CMC C -0.696 5.603 -5.888 1.00 . B A . 69 HEC CMC 1 1 26 31581 2 2 1 HEC CMD C 4.211 3.921 0.127 1.00 . B A . 69 HEC CMD 1 1 26 31582 2 2 1 HEC FE FE 4.487 7.168 -4.450 1.00 . B A . 69 HEC FE 1 1 26 31583 2 2 1 HEC HAA1 H 10.382 9.328 -3.326 1.00 . B A . 69 HEC HAA1 1 1 26 31584 2 2 1 HEC HAA2 H 9.744 8.175 -2.172 1.00 . B A . 69 HEC HAA2 1 1 26 31585 2 2 1 HEC HAB H 0.992 8.711 -8.687 1.00 . B A . 69 HEC HAB 1 1 26 31586 2 2 1 HEC HAC H 0.133 4.609 -1.836 1.00 . B A . 69 HEC HAC 1 1 26 31587 2 2 1 HEC HAD1 H 7.484 6.314 0.147 1.00 . B A . 69 HEC HAD1 1 1 26 31588 2 2 1 HEC HAD2 H 6.642 5.091 1.033 1.00 . B A . 69 HEC HAD2 1 1 26 31589 2 2 1 HEC HBA1 H 11.704 7.284 -3.283 1.00 . B A . 69 HEC HBA1 1 1 26 31590 2 2 1 HEC HBA2 H 10.272 6.318 -3.665 1.00 . B A . 69 HEC HBA2 1 1 26 31591 2 2 1 HEC HBB1 H 2.596 8.795 -10.589 1.00 . B A . 69 HEC HBB1 1 1 26 31592 2 2 1 HEC HBB2 H 1.108 9.726 -10.777 1.00 . B A . 69 HEC HBB2 1 1 26 31593 2 2 1 HEC HBB3 H 2.622 10.560 -10.423 1.00 . B A . 69 HEC HBB3 1 1 26 31594 2 2 1 HEC HBC1 H -1.305 3.292 -4.153 1.00 . B A . 69 HEC HBC1 1 1 26 31595 2 2 1 HEC HBC2 H 0.064 2.589 -3.276 1.00 . B A . 69 HEC HBC2 1 1 26 31596 2 2 1 HEC HBC3 H -1.456 2.927 -2.430 1.00 . B A . 69 HEC HBC3 1 1 26 31597 2 2 1 HEC HBD1 H 7.997 3.347 0.029 1.00 . B A . 69 HEC HBD1 1 1 26 31598 2 2 1 HEC HBD2 H 8.753 4.514 -1.070 1.00 . B A . 69 HEC HBD2 1 1 26 31599 2 2 1 HEC HHA H 8.165 6.567 -1.905 1.00 . B A . 69 HEC HHA 1 1 26 31600 2 2 1 HEC HHB H 6.492 10.464 -6.684 1.00 . B A . 69 HEC HHB 1 1 26 31601 2 2 1 HEC HHC H 0.999 7.185 -7.248 1.00 . B A . 69 HEC HHC 1 1 26 31602 2 2 1 HEC HHD H 2.226 4.581 -1.549 1.00 . B A . 69 HEC HHD 1 1 26 31603 2 2 1 HEC HMA1 H 8.486 11.189 -5.874 1.00 . B A . 69 HEC HMA1 1 1 26 31604 2 2 1 HEC HMA2 H 9.908 10.496 -5.093 1.00 . B A . 69 HEC HMA2 1 1 26 31605 2 2 1 HEC HMA3 H 9.309 9.782 -6.583 1.00 . B A . 69 HEC HMA3 1 1 26 31606 2 2 1 HEC HMB1 H 3.642 11.585 -8.802 1.00 . B A . 69 HEC HMB1 1 1 26 31607 2 2 1 HEC HMB2 H 5.092 11.692 -7.847 1.00 . B A . 69 HEC HMB2 1 1 26 31608 2 2 1 HEC HMB3 H 5.101 10.713 -9.337 1.00 . B A . 69 HEC HMB3 1 1 26 31609 2 2 1 HEC HMC1 H -0.486 5.006 -6.770 1.00 . B A . 69 HEC HMC1 1 1 26 31610 2 2 1 HEC HMC2 H -1.503 5.129 -5.337 1.00 . B A . 69 HEC HMC2 1 1 26 31611 2 2 1 HEC HMC3 H -1.030 6.598 -6.178 1.00 . B A . 69 HEC HMC3 1 1 26 31612 2 2 1 HEC HMD1 H 4.988 3.632 0.830 1.00 . B A . 69 HEC HMD1 1 1 26 31613 2 2 1 HEC HMD2 H 3.399 4.391 0.675 1.00 . B A . 69 HEC HMD2 1 1 26 31614 2 2 1 HEC HMD3 H 3.836 3.030 -0.374 1.00 . B A . 69 HEC HMD3 1 1 26 31615 2 2 1 HEC NA N 6.324 7.996 -4.396 1.00 . B A . 69 HEC NA 1 1 26 31616 2 2 1 HEC NB N 4.051 8.182 -6.100 1.00 . B A . 69 HEC NB 1 1 26 31617 2 2 1 HEC NC N 2.671 6.326 -4.449 1.00 . B A . 69 HEC NC 1 1 26 31618 2 2 1 HEC ND N 4.940 6.166 -2.758 1.00 . B A . 69 HEC ND 1 1 26 31619 2 2 1 HEC O1A O 11.590 8.558 -5.652 1.00 . B A . 69 HEC O1A 1 1 26 31620 2 2 1 HEC O1D O 10.574 4.534 0.757 1.00 . B A . 69 HEC O1D 1 1 26 31621 2 2 1 HEC O2A O 10.615 6.609 -6.094 1.00 . B A . 69 HEC O2A 1 1 26 31622 2 2 1 HEC O2D O 8.974 5.272 2.043 1.00 . B A . 69 HEC O2D 1 1 26 31623 3 2 1 HEC C1A C -2.680 -4.721 -4.611 1.00 . C A . 70 HEC C1A 1 1 26 31624 3 2 1 HEC C1B C -0.726 -2.634 -1.420 1.00 . C A . 70 HEC C1B 1 1 26 31625 3 2 1 HEC C1C C -3.475 0.609 -1.865 1.00 . C A . 70 HEC C1C 1 1 26 31626 3 2 1 HEC C1D C -5.331 -1.424 -5.134 1.00 . C A . 70 HEC C1D 1 1 26 31627 3 2 1 HEC C2A C -1.809 -5.873 -4.594 1.00 . C A . 70 HEC C2A 1 1 26 31628 3 2 1 HEC C2B C -0.005 -2.085 -0.293 1.00 . C A . 70 HEC C2B 1 1 26 31629 3 2 1 HEC C2C C -4.308 1.788 -1.914 1.00 . C A . 70 HEC C2C 1 1 26 31630 3 2 1 HEC C2D C -5.947 -1.893 -6.348 1.00 . C A . 70 HEC C2D 1 1 26 31631 3 2 1 HEC C3A C -0.927 -5.699 -3.557 1.00 . C A . 70 HEC C3A 1 1 26 31632 3 2 1 HEC C3B C -0.516 -0.830 -0.055 1.00 . C A . 70 HEC C3B 1 1 26 31633 3 2 1 HEC C3C C -5.260 1.564 -2.880 1.00 . C A . 70 HEC C3C 1 1 26 31634 3 2 1 HEC C3D C -5.446 -3.149 -6.594 1.00 . C A . 70 HEC C3D 1 1 26 31635 3 2 1 HEC C4A C -1.211 -4.413 -2.963 1.00 . C A . 70 HEC C4A 1 1 26 31636 3 2 1 HEC C4B C -1.587 -0.627 -1.010 1.00 . C A . 70 HEC C4B 1 1 26 31637 3 2 1 HEC C4C C -4.930 0.305 -3.511 1.00 . C A . 70 HEC C4C 1 1 26 31638 3 2 1 HEC C4D C -4.468 -3.420 -5.566 1.00 . C A . 70 HEC C4D 1 1 26 31639 3 2 1 HEC CAA C -1.829 -7.033 -5.566 1.00 . C A . 70 HEC CAA 1 1 26 31640 3 2 1 HEC CAB C -0.064 0.147 1.024 1.00 . C A . 70 HEC CAB 1 1 26 31641 3 2 1 HEC CAC C -6.547 2.345 -3.076 1.00 . C A . 70 HEC CAC 1 1 26 31642 3 2 1 HEC CAD C -5.626 -3.926 -7.874 1.00 . C A . 70 HEC CAD 1 1 26 31643 3 2 1 HEC CBA C -2.812 -8.138 -5.168 1.00 . C A . 70 HEC CBA 1 1 26 31644 3 2 1 HEC CBB C 1.334 0.719 0.759 1.00 . C A . 70 HEC CBB 1 1 26 31645 3 2 1 HEC CBC C -6.379 3.689 -3.775 1.00 . C A . 70 HEC CBC 1 1 26 31646 3 2 1 HEC CBD C -4.474 -3.630 -8.851 1.00 . C A . 70 HEC CBD 1 1 26 31647 3 2 1 HEC CGA C -2.999 -9.155 -6.297 1.00 . C A . 70 HEC CGA 1 1 26 31648 3 2 1 HEC CGD C -4.893 -3.450 -10.312 1.00 . C A . 70 HEC CGD 1 1 26 31649 3 2 1 HEC CHA C -3.689 -4.550 -5.533 1.00 . C A . 70 HEC CHA 1 1 26 31650 3 2 1 HEC CHB C -0.487 -3.895 -1.908 1.00 . C A . 70 HEC CHB 1 1 26 31651 3 2 1 HEC CHC C -2.430 0.460 -0.989 1.00 . C A . 70 HEC CHC 1 1 26 31652 3 2 1 HEC CHD C -5.614 -0.201 -4.589 1.00 . C A . 70 HEC CHD 1 1 26 31653 3 2 1 HEC CMA C 0.197 -6.637 -3.183 1.00 . C A . 70 HEC CMA 1 1 26 31654 3 2 1 HEC CMB C 0.973 -2.846 0.575 1.00 . C A . 70 HEC CMB 1 1 26 31655 3 2 1 HEC CMC C -4.139 3.060 -1.107 1.00 . C A . 70 HEC CMC 1 1 26 31656 3 2 1 HEC CMD C -6.797 -1.057 -7.280 1.00 . C A . 70 HEC CMD 1 1 26 31657 3 2 1 HEC FE FE -3.074 -2.033 -3.269 1.00 . C A . 70 HEC FE 1 1 26 31658 3 2 1 HEC HAA1 H -2.094 -6.671 -6.559 1.00 . C A . 70 HEC HAA1 1 1 26 31659 3 2 1 HEC HAA2 H -0.833 -7.466 -5.654 1.00 . C A . 70 HEC HAA2 1 1 26 31660 3 2 1 HEC HAB H -0.721 1.008 1.058 1.00 . C A . 70 HEC HAB 1 1 26 31661 3 2 1 HEC HAC H -7.225 1.783 -3.712 1.00 . C A . 70 HEC HAC 1 1 26 31662 3 2 1 HEC HAD1 H -5.656 -4.997 -7.677 1.00 . C A . 70 HEC HAD1 1 1 26 31663 3 2 1 HEC HAD2 H -6.584 -3.657 -8.315 1.00 . C A . 70 HEC HAD2 1 1 26 31664 3 2 1 HEC HBA1 H -2.444 -8.634 -4.267 1.00 . C A . 70 HEC HBA1 1 1 26 31665 3 2 1 HEC HBA2 H -3.778 -7.686 -4.939 1.00 . C A . 70 HEC HBA2 1 1 26 31666 3 2 1 HEC HBB1 H 1.579 1.471 1.506 1.00 . C A . 70 HEC HBB1 1 1 26 31667 3 2 1 HEC HBB2 H 2.095 -0.058 0.786 1.00 . C A . 70 HEC HBB2 1 1 26 31668 3 2 1 HEC HBB3 H 1.353 1.188 -0.226 1.00 . C A . 70 HEC HBB3 1 1 26 31669 3 2 1 HEC HBC1 H -7.358 4.115 -3.990 1.00 . C A . 70 HEC HBC1 1 1 26 31670 3 2 1 HEC HBC2 H -5.811 4.394 -3.175 1.00 . C A . 70 HEC HBC2 1 1 26 31671 3 2 1 HEC HBC3 H -5.858 3.486 -4.708 1.00 . C A . 70 HEC HBC3 1 1 26 31672 3 2 1 HEC HBD1 H -3.995 -2.694 -8.553 1.00 . C A . 70 HEC HBD1 1 1 26 31673 3 2 1 HEC HBD2 H -3.728 -4.423 -8.774 1.00 . C A . 70 HEC HBD2 1 1 26 31674 3 2 1 HEC HHA H -3.844 -5.317 -6.273 1.00 . C A . 70 HEC HHA 1 1 26 31675 3 2 1 HEC HHB H 0.287 -4.496 -1.453 1.00 . C A . 70 HEC HHB 1 1 26 31676 3 2 1 HEC HHC H -2.324 1.190 -0.211 1.00 . C A . 70 HEC HHC 1 1 26 31677 3 2 1 HEC HHD H -6.381 0.391 -5.044 1.00 . C A . 70 HEC HHD 1 1 26 31678 3 2 1 HEC HMA1 H -0.038 -7.651 -3.506 1.00 . C A . 70 HEC HMA1 1 1 26 31679 3 2 1 HEC HMA2 H 1.115 -6.303 -3.669 1.00 . C A . 70 HEC HMA2 1 1 26 31680 3 2 1 HEC HMA3 H 0.332 -6.656 -2.106 1.00 . C A . 70 HEC HMA3 1 1 26 31681 3 2 1 HEC HMB1 H 1.602 -3.495 -0.025 1.00 . C A . 70 HEC HMB1 1 1 26 31682 3 2 1 HEC HMB2 H 1.604 -2.170 1.143 1.00 . C A . 70 HEC HMB2 1 1 26 31683 3 2 1 HEC HMB3 H 0.403 -3.463 1.267 1.00 . C A . 70 HEC HMB3 1 1 26 31684 3 2 1 HEC HMC1 H -4.239 3.926 -1.754 1.00 . C A . 70 HEC HMC1 1 1 26 31685 3 2 1 HEC HMC2 H -4.903 3.101 -0.331 1.00 . C A . 70 HEC HMC2 1 1 26 31686 3 2 1 HEC HMC3 H -3.162 3.126 -0.639 1.00 . C A . 70 HEC HMC3 1 1 26 31687 3 2 1 HEC HMD1 H -6.456 -0.020 -7.254 1.00 . C A . 70 HEC HMD1 1 1 26 31688 3 2 1 HEC HMD2 H -6.698 -1.413 -8.306 1.00 . C A . 70 HEC HMD2 1 1 26 31689 3 2 1 HEC HMD3 H -7.841 -1.098 -6.984 1.00 . C A . 70 HEC HMD3 1 1 26 31690 3 2 1 HEC NA N -2.271 -3.854 -3.631 1.00 . C A . 70 HEC NA 1 1 26 31691 3 2 1 HEC NB N -1.671 -1.726 -1.810 1.00 . C A . 70 HEC NB 1 1 26 31692 3 2 1 HEC NC N -3.881 -0.243 -2.846 1.00 . C A . 70 HEC NC 1 1 26 31693 3 2 1 HEC ND N -4.438 -2.349 -4.726 1.00 . C A . 70 HEC ND 1 1 26 31694 3 2 1 HEC O1A O -3.698 -8.792 -7.270 1.00 . C A . 70 HEC O1A 1 1 26 31695 3 2 1 HEC O1D O -4.022 -3.102 -11.142 1.00 . C A . 70 HEC O1D 1 1 26 31696 3 2 1 HEC O2A O -2.440 -10.268 -6.178 1.00 . C A . 70 HEC O2A 1 1 26 31697 3 2 1 HEC O2D O -6.098 -3.545 -10.650 1.00 . C A . 70 HEC O2D 1 1 26 31698 4 2 1 HEC C1A C 2.958 -5.677 9.612 1.00 . D A . 71 HEC C1A 1 1 26 31699 4 2 1 HEC C1B C 0.196 -8.941 9.513 1.00 . D A . 71 HEC C1B 1 1 26 31700 4 2 1 HEC C1C C -1.398 -7.407 5.874 1.00 . D A . 71 HEC C1C 1 1 26 31701 4 2 1 HEC C1D C 1.574 -4.371 5.781 1.00 . D A . 71 HEC C1D 1 1 26 31702 4 2 1 HEC C2A C 3.597 -6.050 10.855 1.00 . D A . 71 HEC C2A 1 1 26 31703 4 2 1 HEC C2B C -0.692 -10.074 9.622 1.00 . D A . 71 HEC C2B 1 1 26 31704 4 2 1 HEC C2C C -1.998 -7.101 4.602 1.00 . D A . 71 HEC C2C 1 1 26 31705 4 2 1 HEC C2D C 2.526 -3.297 5.617 1.00 . D A . 71 HEC C2D 1 1 26 31706 4 2 1 HEC C3A C 2.934 -7.149 11.338 1.00 . D A . 71 HEC C3A 1 1 26 31707 4 2 1 HEC C3B C -1.604 -9.975 8.597 1.00 . D A . 71 HEC C3B 1 1 26 31708 4 2 1 HEC C3C C -1.367 -5.980 4.120 1.00 . D A . 71 HEC C3C 1 1 26 31709 4 2 1 HEC C3D C 3.313 -3.275 6.739 1.00 . D A . 71 HEC C3D 1 1 26 31710 4 2 1 HEC C4A C 1.943 -7.516 10.354 1.00 . D A . 71 HEC C4A 1 1 26 31711 4 2 1 HEC C4B C -1.155 -8.879 7.763 1.00 . D A . 71 HEC C4B 1 1 26 31712 4 2 1 HEC C4C C -0.291 -5.687 5.047 1.00 . D A . 71 HEC C4C 1 1 26 31713 4 2 1 HEC C4D C 2.814 -4.310 7.620 1.00 . D A . 71 HEC C4D 1 1 26 31714 4 2 1 HEC CAA C 4.734 -5.341 11.558 1.00 . D A . 71 HEC CAA 1 1 26 31715 4 2 1 HEC CAB C -2.991 -10.603 8.560 1.00 . D A . 71 HEC CAB 1 1 26 31716 4 2 1 HEC CAC C -1.704 -5.218 2.848 1.00 . D A . 71 HEC CAC 1 1 26 31717 4 2 1 HEC CAD C 4.476 -2.324 6.955 1.00 . D A . 71 HEC CAD 1 1 26 31718 4 2 1 HEC CBA C 5.998 -6.174 11.822 1.00 . D A . 71 HEC CBA 1 1 26 31719 4 2 1 HEC CBB C -3.786 -10.384 9.849 1.00 . D A . 71 HEC CBB 1 1 26 31720 4 2 1 HEC CBC C -3.176 -4.799 2.729 1.00 . D A . 71 HEC CBC 1 1 26 31721 4 2 1 HEC CBD C 5.818 -2.944 7.386 1.00 . D A . 71 HEC CBD 1 1 26 31722 4 2 1 HEC CGA C 6.200 -6.436 13.317 1.00 . D A . 71 HEC CGA 1 1 26 31723 4 2 1 HEC CGD C 6.224 -2.697 8.852 1.00 . D A . 71 HEC CGD 1 1 26 31724 4 2 1 HEC CHA C 3.348 -4.605 8.844 1.00 . D A . 71 HEC CHA 1 1 26 31725 4 2 1 HEC CHB C 1.134 -8.625 10.467 1.00 . D A . 71 HEC CHB 1 1 26 31726 4 2 1 HEC CHC C -1.792 -8.478 6.617 1.00 . D A . 71 HEC CHC 1 1 26 31727 4 2 1 HEC CHD C 0.629 -4.689 4.840 1.00 . D A . 71 HEC CHD 1 1 26 31728 4 2 1 HEC CMA C 3.231 -7.844 12.648 1.00 . D A . 71 HEC CMA 1 1 26 31729 4 2 1 HEC CMB C -0.657 -11.129 10.703 1.00 . D A . 71 HEC CMB 1 1 26 31730 4 2 1 HEC CMC C -3.011 -7.975 3.896 1.00 . D A . 71 HEC CMC 1 1 26 31731 4 2 1 HEC CMD C 2.665 -2.363 4.437 1.00 . D A . 71 HEC CMD 1 1 26 31732 4 2 1 HEC FE FE 0.805 -6.583 7.754 1.00 . D A . 71 HEC FE 1 1 26 31733 4 2 1 HEC HAA1 H 5.057 -4.456 11.016 1.00 . D A . 71 HEC HAA1 1 1 26 31734 4 2 1 HEC HAA2 H 4.328 -5.034 12.514 1.00 . D A . 71 HEC HAA2 1 1 26 31735 4 2 1 HEC HAB H -3.573 -10.079 7.818 1.00 . D A . 71 HEC HAB 1 1 26 31736 4 2 1 HEC HAC H -1.150 -4.287 2.827 1.00 . D A . 71 HEC HAC 1 1 26 31737 4 2 1 HEC HAD1 H 4.684 -1.808 6.020 1.00 . D A . 71 HEC HAD1 1 1 26 31738 4 2 1 HEC HAD2 H 4.158 -1.564 7.653 1.00 . D A . 71 HEC HAD2 1 1 26 31739 4 2 1 HEC HBA1 H 5.942 -7.110 11.270 1.00 . D A . 71 HEC HBA1 1 1 26 31740 4 2 1 HEC HBA2 H 6.865 -5.623 11.455 1.00 . D A . 71 HEC HBA2 1 1 26 31741 4 2 1 HEC HBB1 H -4.815 -10.705 9.693 1.00 . D A . 71 HEC HBB1 1 1 26 31742 4 2 1 HEC HBB2 H -3.361 -10.950 10.676 1.00 . D A . 71 HEC HBB2 1 1 26 31743 4 2 1 HEC HBB3 H -3.786 -9.322 10.098 1.00 . D A . 71 HEC HBB3 1 1 26 31744 4 2 1 HEC HBC1 H -3.455 -4.195 3.592 1.00 . D A . 71 HEC HBC1 1 1 26 31745 4 2 1 HEC HBC2 H -3.310 -4.211 1.821 1.00 . D A . 71 HEC HBC2 1 1 26 31746 4 2 1 HEC HBC3 H -3.837 -5.660 2.672 1.00 . D A . 71 HEC HBC3 1 1 26 31747 4 2 1 HEC HBD1 H 5.772 -4.017 7.194 1.00 . D A . 71 HEC HBD1 1 1 26 31748 4 2 1 HEC HBD2 H 6.601 -2.525 6.753 1.00 . D A . 71 HEC HBD2 1 1 26 31749 4 2 1 HEC HHA H 4.140 -3.980 9.188 1.00 . D A . 71 HEC HHA 1 1 26 31750 4 2 1 HEC HHB H 1.208 -9.246 11.339 1.00 . D A . 71 HEC HHB 1 1 26 31751 4 2 1 HEC HHC H -2.634 -9.021 6.252 1.00 . D A . 71 HEC HHC 1 1 26 31752 4 2 1 HEC HHD H 0.616 -4.159 3.905 1.00 . D A . 71 HEC HHD 1 1 26 31753 4 2 1 HEC HMA1 H 4.077 -8.520 12.522 1.00 . D A . 71 HEC HMA1 1 1 26 31754 4 2 1 HEC HMA2 H 3.504 -7.104 13.399 1.00 . D A . 71 HEC HMA2 1 1 26 31755 4 2 1 HEC HMA3 H 2.369 -8.390 13.021 1.00 . D A . 71 HEC HMA3 1 1 26 31756 4 2 1 HEC HMB1 H -1.055 -10.715 11.630 1.00 . D A . 71 HEC HMB1 1 1 26 31757 4 2 1 HEC HMB2 H -1.252 -11.989 10.400 1.00 . D A . 71 HEC HMB2 1 1 26 31758 4 2 1 HEC HMB3 H 0.368 -11.459 10.864 1.00 . D A . 71 HEC HMB3 1 1 26 31759 4 2 1 HEC HMC1 H -2.700 -9.017 3.973 1.00 . D A . 71 HEC HMC1 1 1 26 31760 4 2 1 HEC HMC2 H -3.985 -7.858 4.374 1.00 . D A . 71 HEC HMC2 1 1 26 31761 4 2 1 HEC HMC3 H -3.080 -7.722 2.842 1.00 . D A . 71 HEC HMC3 1 1 26 31762 4 2 1 HEC HMD1 H 3.499 -2.698 3.835 1.00 . D A . 71 HEC HMD1 1 1 26 31763 4 2 1 HEC HMD2 H 1.767 -2.332 3.828 1.00 . D A . 71 HEC HMD2 1 1 26 31764 4 2 1 HEC HMD3 H 2.872 -1.349 4.780 1.00 . D A . 71 HEC HMD3 1 1 26 31765 4 2 1 HEC NA N 1.987 -6.602 9.348 1.00 . D A . 71 HEC NA 1 1 26 31766 4 2 1 HEC NB N -0.091 -8.284 8.365 1.00 . D A . 71 HEC NB 1 1 26 31767 4 2 1 HEC NC N -0.381 -6.557 6.101 1.00 . D A . 71 HEC NC 1 1 26 31768 4 2 1 HEC ND N 1.790 -4.947 6.998 1.00 . D A . 71 HEC ND 1 1 26 31769 4 2 1 HEC O1A O 6.146 -5.442 14.084 1.00 . D A . 71 HEC O1A 1 1 26 31770 4 2 1 HEC O1D O 5.504 -1.948 9.556 1.00 . D A . 71 HEC O1D 1 1 26 31771 4 2 1 HEC O2A O 6.336 -7.622 13.687 1.00 . D A . 71 HEC O2A 1 1 26 31772 4 2 1 HEC O2D O 7.197 -3.351 9.280 1.00 . D A . 71 HEC O2D 1 1 27 31773 1 1 1 ALA C C 9.870 2.282 -8.853 1.00 . A A . 1 ALA C 1 1 27 31774 1 1 1 ALA CA C 11.306 2.465 -8.373 1.00 . A A . 1 ALA CA 1 1 27 31775 1 1 1 ALA CB C 12.245 2.926 -9.494 1.00 . A A . 1 ALA CB 1 1 27 31776 1 1 1 ALA H1 H 11.913 0.512 -8.458 1.00 . A A . 1 ALA H1 1 1 27 31777 1 1 1 ALA H2 H 12.634 1.368 -7.244 1.00 . A A . 1 ALA H2 1 1 27 31778 1 1 1 ALA H3 H 11.064 0.859 -7.100 1.00 . A A . 1 ALA H3 1 1 27 31779 1 1 1 ALA HA H 11.298 3.240 -7.604 1.00 . A A . 1 ALA HA 1 1 27 31780 1 1 1 ALA HB1 H 12.341 2.161 -10.265 1.00 . A A . 1 ALA HB1 1 1 27 31781 1 1 1 ALA HB2 H 11.851 3.836 -9.948 1.00 . A A . 1 ALA HB2 1 1 27 31782 1 1 1 ALA HB3 H 13.233 3.139 -9.085 1.00 . A A . 1 ALA HB3 1 1 27 31783 1 1 1 ALA N N 11.774 1.213 -7.747 1.00 . A A . 1 ALA N 1 1 27 31784 1 1 1 ALA O O 8.951 2.758 -8.195 1.00 . A A . 1 ALA O 1 1 27 31785 1 1 2 ASP C C 7.664 0.218 -9.382 1.00 . A A . 2 ASP C 1 1 27 31786 1 1 2 ASP CA C 8.384 1.072 -10.419 1.00 . A A . 2 ASP CA 1 1 27 31787 1 1 2 ASP CB C 8.600 0.234 -11.685 1.00 . A A . 2 ASP CB 1 1 27 31788 1 1 2 ASP CG C 9.328 1.021 -12.758 1.00 . A A . 2 ASP CG 1 1 27 31789 1 1 2 ASP H H 10.421 1.375 -10.623 1.00 . A A . 2 ASP H 1 1 27 31790 1 1 2 ASP HA H 7.784 1.955 -10.637 1.00 . A A . 2 ASP HA 1 1 27 31791 1 1 2 ASP HB2 H 9.198 -0.645 -11.449 1.00 . A A . 2 ASP HB2 1 1 27 31792 1 1 2 ASP HB3 H 7.643 -0.106 -12.075 1.00 . A A . 2 ASP HB3 1 1 27 31793 1 1 2 ASP N N 9.678 1.529 -9.940 1.00 . A A . 2 ASP N 1 1 27 31794 1 1 2 ASP O O 6.437 0.192 -9.341 1.00 . A A . 2 ASP O 1 1 27 31795 1 1 2 ASP OD1 O 10.503 1.349 -12.474 1.00 . A A . 2 ASP OD1 1 1 27 31796 1 1 2 ASP OD2 O 8.694 1.286 -13.801 1.00 . A A . 2 ASP OD2 1 1 27 31797 1 1 3 VAL C C 8.848 -0.784 -6.220 1.00 . A A . 3 VAL C 1 1 27 31798 1 1 3 VAL CA C 8.008 -1.252 -7.410 1.00 . A A . 3 VAL CA 1 1 27 31799 1 1 3 VAL CB C 8.165 -2.754 -7.730 1.00 . A A . 3 VAL CB 1 1 27 31800 1 1 3 VAL CG1 C 9.613 -3.138 -8.073 1.00 . A A . 3 VAL CG1 1 1 27 31801 1 1 3 VAL CG2 C 7.667 -3.667 -6.604 1.00 . A A . 3 VAL CG2 1 1 27 31802 1 1 3 VAL H H 9.436 -0.429 -8.704 1.00 . A A . 3 VAL H 1 1 27 31803 1 1 3 VAL HA H 6.967 -1.028 -7.190 1.00 . A A . 3 VAL HA 1 1 27 31804 1 1 3 VAL HB H 7.551 -2.966 -8.607 1.00 . A A . 3 VAL HB 1 1 27 31805 1 1 3 VAL HG11 H 9.656 -4.199 -8.320 1.00 . A A . 3 VAL HG11 1 1 27 31806 1 1 3 VAL HG12 H 9.969 -2.575 -8.935 1.00 . A A . 3 VAL HG12 1 1 27 31807 1 1 3 VAL HG13 H 10.271 -2.952 -7.223 1.00 . A A . 3 VAL HG13 1 1 27 31808 1 1 3 VAL HG21 H 6.635 -3.429 -6.360 1.00 . A A . 3 VAL HG21 1 1 27 31809 1 1 3 VAL HG22 H 7.710 -4.705 -6.934 1.00 . A A . 3 VAL HG22 1 1 27 31810 1 1 3 VAL HG23 H 8.290 -3.559 -5.718 1.00 . A A . 3 VAL HG23 1 1 27 31811 1 1 3 VAL N N 8.442 -0.488 -8.564 1.00 . A A . 3 VAL N 1 1 27 31812 1 1 3 VAL O O 9.962 -0.279 -6.426 1.00 . A A . 3 VAL O 1 1 27 31813 1 1 4 VAL C C 8.808 -2.138 -2.993 1.00 . A A . 4 VAL C 1 1 27 31814 1 1 4 VAL CA C 9.104 -0.865 -3.773 1.00 . A A . 4 VAL CA 1 1 27 31815 1 1 4 VAL CB C 8.720 0.390 -2.967 1.00 . A A . 4 VAL CB 1 1 27 31816 1 1 4 VAL CG1 C 9.326 0.398 -1.550 1.00 . A A . 4 VAL CG1 1 1 27 31817 1 1 4 VAL CG2 C 9.194 1.645 -3.704 1.00 . A A . 4 VAL CG2 1 1 27 31818 1 1 4 VAL H H 7.388 -1.324 -4.877 1.00 . A A . 4 VAL H 1 1 27 31819 1 1 4 VAL HA H 10.173 -0.843 -3.991 1.00 . A A . 4 VAL HA 1 1 27 31820 1 1 4 VAL HB H 7.635 0.432 -2.883 1.00 . A A . 4 VAL HB 1 1 27 31821 1 1 4 VAL HG11 H 8.909 -0.398 -0.930 1.00 . A A . 4 VAL HG11 1 1 27 31822 1 1 4 VAL HG12 H 10.407 0.269 -1.603 1.00 . A A . 4 VAL HG12 1 1 27 31823 1 1 4 VAL HG13 H 9.111 1.348 -1.059 1.00 . A A . 4 VAL HG13 1 1 27 31824 1 1 4 VAL HG21 H 8.913 2.527 -3.131 1.00 . A A . 4 VAL HG21 1 1 27 31825 1 1 4 VAL HG22 H 10.278 1.619 -3.814 1.00 . A A . 4 VAL HG22 1 1 27 31826 1 1 4 VAL HG23 H 8.728 1.707 -4.686 1.00 . A A . 4 VAL HG23 1 1 27 31827 1 1 4 VAL N N 8.328 -0.940 -5.000 1.00 . A A . 4 VAL N 1 1 27 31828 1 1 4 VAL O O 7.805 -2.815 -3.237 1.00 . A A . 4 VAL O 1 1 27 31829 1 1 5 THR C C 9.789 -2.884 0.361 1.00 . A A . 5 THR C 1 1 27 31830 1 1 5 THR CA C 9.297 -3.385 -0.995 1.00 . A A . 5 THR CA 1 1 27 31831 1 1 5 THR CB C 9.801 -4.788 -1.378 1.00 . A A . 5 THR CB 1 1 27 31832 1 1 5 THR CG2 C 11.324 -4.935 -1.334 1.00 . A A . 5 THR CG2 1 1 27 31833 1 1 5 THR H H 10.483 -1.883 -1.849 1.00 . A A . 5 THR H 1 1 27 31834 1 1 5 THR HA H 8.208 -3.347 -0.942 1.00 . A A . 5 THR HA 1 1 27 31835 1 1 5 THR HB H 9.476 -5.004 -2.398 1.00 . A A . 5 THR HB 1 1 27 31836 1 1 5 THR HG1 H 8.630 -5.265 0.054 1.00 . A A . 5 THR HG1 1 1 27 31837 1 1 5 THR HG21 H 11.600 -5.925 -1.699 1.00 . A A . 5 THR HG21 1 1 27 31838 1 1 5 THR HG22 H 11.795 -4.182 -1.968 1.00 . A A . 5 THR HG22 1 1 27 31839 1 1 5 THR HG23 H 11.691 -4.827 -0.313 1.00 . A A . 5 THR HG23 1 1 27 31840 1 1 5 THR N N 9.669 -2.455 -2.029 1.00 . A A . 5 THR N 1 1 27 31841 1 1 5 THR O O 10.921 -2.417 0.472 1.00 . A A . 5 THR O 1 1 27 31842 1 1 5 THR OG1 O 9.225 -5.750 -0.532 1.00 . A A . 5 THR OG1 1 1 27 31843 1 1 6 TYR C C 9.755 -4.289 3.182 1.00 . A A . 6 TYR C 1 1 27 31844 1 1 6 TYR CA C 9.345 -2.884 2.764 1.00 . A A . 6 TYR CA 1 1 27 31845 1 1 6 TYR CB C 8.220 -2.370 3.672 1.00 . A A . 6 TYR CB 1 1 27 31846 1 1 6 TYR CD1 C 8.285 0.115 3.200 1.00 . A A . 6 TYR CD1 1 1 27 31847 1 1 6 TYR CD2 C 6.203 -1.099 2.852 1.00 . A A . 6 TYR CD2 1 1 27 31848 1 1 6 TYR CE1 C 7.641 1.314 2.843 1.00 . A A . 6 TYR CE1 1 1 27 31849 1 1 6 TYR CE2 C 5.567 0.094 2.477 1.00 . A A . 6 TYR CE2 1 1 27 31850 1 1 6 TYR CG C 7.558 -1.088 3.225 1.00 . A A . 6 TYR CG 1 1 27 31851 1 1 6 TYR CZ C 6.272 1.307 2.532 1.00 . A A . 6 TYR CZ 1 1 27 31852 1 1 6 TYR H H 8.023 -3.399 1.198 1.00 . A A . 6 TYR H 1 1 27 31853 1 1 6 TYR HA H 10.192 -2.203 2.864 1.00 . A A . 6 TYR HA 1 1 27 31854 1 1 6 TYR HB2 H 7.450 -3.132 3.769 1.00 . A A . 6 TYR HB2 1 1 27 31855 1 1 6 TYR HB3 H 8.635 -2.209 4.667 1.00 . A A . 6 TYR HB3 1 1 27 31856 1 1 6 TYR HD1 H 9.337 0.112 3.449 1.00 . A A . 6 TYR HD1 1 1 27 31857 1 1 6 TYR HD2 H 5.668 -2.033 2.793 1.00 . A A . 6 TYR HD2 1 1 27 31858 1 1 6 TYR HE1 H 8.208 2.230 2.770 1.00 . A A . 6 TYR HE1 1 1 27 31859 1 1 6 TYR HE2 H 4.576 0.050 2.048 1.00 . A A . 6 TYR HE2 1 1 27 31860 1 1 6 TYR HH H 4.782 2.282 1.805 1.00 . A A . 6 TYR HH 1 1 27 31861 1 1 6 TYR N N 8.929 -2.981 1.378 1.00 . A A . 6 TYR N 1 1 27 31862 1 1 6 TYR O O 8.903 -5.128 3.491 1.00 . A A . 6 TYR O 1 1 27 31863 1 1 6 TYR OH O 5.655 2.461 2.162 1.00 . A A . 6 TYR OH 1 1 27 31864 1 1 7 GLU C C 11.194 -5.604 5.335 1.00 . A A . 7 GLU C 1 1 27 31865 1 1 7 GLU CA C 11.528 -5.756 3.847 1.00 . A A . 7 GLU CA 1 1 27 31866 1 1 7 GLU CB C 13.020 -5.950 3.613 1.00 . A A . 7 GLU CB 1 1 27 31867 1 1 7 GLU CD C 14.927 -7.596 3.984 1.00 . A A . 7 GLU CD 1 1 27 31868 1 1 7 GLU CG C 13.422 -7.406 3.853 1.00 . A A . 7 GLU CG 1 1 27 31869 1 1 7 GLU H H 11.721 -3.855 2.908 1.00 . A A . 7 GLU H 1 1 27 31870 1 1 7 GLU HA H 11.013 -6.610 3.416 1.00 . A A . 7 GLU HA 1 1 27 31871 1 1 7 GLU HB2 H 13.281 -5.692 2.587 1.00 . A A . 7 GLU HB2 1 1 27 31872 1 1 7 GLU HB3 H 13.547 -5.307 4.305 1.00 . A A . 7 GLU HB3 1 1 27 31873 1 1 7 GLU HG2 H 12.960 -7.773 4.768 1.00 . A A . 7 GLU HG2 1 1 27 31874 1 1 7 GLU HG3 H 13.092 -7.992 2.999 1.00 . A A . 7 GLU HG3 1 1 27 31875 1 1 7 GLU N N 11.055 -4.566 3.176 1.00 . A A . 7 GLU N 1 1 27 31876 1 1 7 GLU O O 11.341 -4.523 5.902 1.00 . A A . 7 GLU O 1 1 27 31877 1 1 7 GLU OE1 O 15.662 -6.762 3.416 1.00 . A A . 7 GLU OE1 1 1 27 31878 1 1 7 GLU OE2 O 15.304 -8.583 4.651 1.00 . A A . 7 GLU OE2 1 1 27 31879 1 1 8 ASN C C 10.325 -8.207 7.713 1.00 . A A . 8 ASN C 1 1 27 31880 1 1 8 ASN CA C 10.242 -6.735 7.319 1.00 . A A . 8 ASN CA 1 1 27 31881 1 1 8 ASN CB C 8.820 -6.177 7.444 1.00 . A A . 8 ASN CB 1 1 27 31882 1 1 8 ASN CG C 7.836 -7.041 6.673 1.00 . A A . 8 ASN CG 1 1 27 31883 1 1 8 ASN H H 10.665 -7.557 5.454 1.00 . A A . 8 ASN H 1 1 27 31884 1 1 8 ASN HA H 10.914 -6.156 7.954 1.00 . A A . 8 ASN HA 1 1 27 31885 1 1 8 ASN HB2 H 8.538 -6.160 8.492 1.00 . A A . 8 ASN HB2 1 1 27 31886 1 1 8 ASN HB3 H 8.782 -5.152 7.072 1.00 . A A . 8 ASN HB3 1 1 27 31887 1 1 8 ASN HD21 H 8.172 -6.000 4.941 1.00 . A A . 8 ASN HD21 1 1 27 31888 1 1 8 ASN HD22 H 7.090 -7.395 4.844 1.00 . A A . 8 ASN HD22 1 1 27 31889 1 1 8 ASN N N 10.697 -6.674 5.943 1.00 . A A . 8 ASN N 1 1 27 31890 1 1 8 ASN ND2 N 7.683 -6.775 5.383 1.00 . A A . 8 ASN ND2 1 1 27 31891 1 1 8 ASN O O 10.581 -9.052 6.850 1.00 . A A . 8 ASN O 1 1 27 31892 1 1 8 ASN OD1 O 7.253 -7.982 7.203 1.00 . A A . 8 ASN OD1 1 1 27 31893 1 1 9 LYS C C 9.417 -10.814 9.363 1.00 . A A . 9 LYS C 1 1 27 31894 1 1 9 LYS CA C 10.548 -9.809 9.540 1.00 . A A . 9 LYS CA 1 1 27 31895 1 1 9 LYS CB C 10.970 -9.634 11.002 1.00 . A A . 9 LYS CB 1 1 27 31896 1 1 9 LYS CD C 12.570 -10.613 12.724 1.00 . A A . 9 LYS CD 1 1 27 31897 1 1 9 LYS CE C 13.893 -9.999 12.231 1.00 . A A . 9 LYS CE 1 1 27 31898 1 1 9 LYS CG C 11.626 -10.911 11.551 1.00 . A A . 9 LYS CG 1 1 27 31899 1 1 9 LYS H H 9.617 -7.906 9.606 1.00 . A A . 9 LYS H 1 1 27 31900 1 1 9 LYS HA H 11.416 -10.169 8.984 1.00 . A A . 9 LYS HA 1 1 27 31901 1 1 9 LYS HB2 H 11.671 -8.803 11.037 1.00 . A A . 9 LYS HB2 1 1 27 31902 1 1 9 LYS HB3 H 10.104 -9.371 11.613 1.00 . A A . 9 LYS HB3 1 1 27 31903 1 1 9 LYS HD2 H 12.061 -9.945 13.422 1.00 . A A . 9 LYS HD2 1 1 27 31904 1 1 9 LYS HD3 H 12.776 -11.558 13.232 1.00 . A A . 9 LYS HD3 1 1 27 31905 1 1 9 LYS HE2 H 14.364 -10.684 11.523 1.00 . A A . 9 LYS HE2 1 1 27 31906 1 1 9 LYS HE3 H 13.702 -9.057 11.713 1.00 . A A . 9 LYS HE3 1 1 27 31907 1 1 9 LYS HG2 H 10.832 -11.582 11.883 1.00 . A A . 9 LYS HG2 1 1 27 31908 1 1 9 LYS HG3 H 12.184 -11.421 10.762 1.00 . A A . 9 LYS HG3 1 1 27 31909 1 1 9 LYS HZ1 H 15.060 -10.593 13.822 1.00 . A A . 9 LYS HZ1 1 1 27 31910 1 1 9 LYS HZ2 H 15.690 -9.339 12.965 1.00 . A A . 9 LYS HZ2 1 1 27 31911 1 1 9 LYS HZ3 H 14.432 -9.078 13.989 1.00 . A A . 9 LYS HZ3 1 1 27 31912 1 1 9 LYS N N 10.169 -8.519 8.998 1.00 . A A . 9 LYS N 1 1 27 31913 1 1 9 LYS NZ N 14.836 -9.735 13.337 1.00 . A A . 9 LYS NZ 1 1 27 31914 1 1 9 LYS O O 9.680 -11.972 9.036 1.00 . A A . 9 LYS O 1 1 27 31915 1 1 10 LYS C C 7.036 -11.707 7.865 1.00 . A A . 10 LYS C 1 1 27 31916 1 1 10 LYS CA C 7.013 -11.238 9.318 1.00 . A A . 10 LYS CA 1 1 27 31917 1 1 10 LYS CB C 5.704 -10.557 9.760 1.00 . A A . 10 LYS CB 1 1 27 31918 1 1 10 LYS CD C 4.053 -11.044 7.782 1.00 . A A . 10 LYS CD 1 1 27 31919 1 1 10 LYS CE C 3.721 -12.378 8.470 1.00 . A A . 10 LYS CE 1 1 27 31920 1 1 10 LYS CG C 4.779 -10.002 8.663 1.00 . A A . 10 LYS CG 1 1 27 31921 1 1 10 LYS H H 8.031 -9.409 9.848 1.00 . A A . 10 LYS H 1 1 27 31922 1 1 10 LYS HA H 7.106 -12.125 9.946 1.00 . A A . 10 LYS HA 1 1 27 31923 1 1 10 LYS HB2 H 5.136 -11.255 10.376 1.00 . A A . 10 LYS HB2 1 1 27 31924 1 1 10 LYS HB3 H 5.961 -9.729 10.417 1.00 . A A . 10 LYS HB3 1 1 27 31925 1 1 10 LYS HD2 H 3.119 -10.581 7.458 1.00 . A A . 10 LYS HD2 1 1 27 31926 1 1 10 LYS HD3 H 4.637 -11.245 6.886 1.00 . A A . 10 LYS HD3 1 1 27 31927 1 1 10 LYS HE2 H 4.627 -12.872 8.824 1.00 . A A . 10 LYS HE2 1 1 27 31928 1 1 10 LYS HE3 H 3.097 -12.173 9.338 1.00 . A A . 10 LYS HE3 1 1 27 31929 1 1 10 LYS HG2 H 4.020 -9.409 9.169 1.00 . A A . 10 LYS HG2 1 1 27 31930 1 1 10 LYS HG3 H 5.336 -9.303 8.038 1.00 . A A . 10 LYS HG3 1 1 27 31931 1 1 10 LYS HZ1 H 2.424 -12.873 6.892 1.00 . A A . 10 LYS HZ1 1 1 27 31932 1 1 10 LYS HZ2 H 3.712 -13.809 6.949 1.00 . A A . 10 LYS HZ2 1 1 27 31933 1 1 10 LYS HZ3 H 2.563 -14.055 8.043 1.00 . A A . 10 LYS HZ3 1 1 27 31934 1 1 10 LYS N N 8.167 -10.385 9.564 1.00 . A A . 10 LYS N 1 1 27 31935 1 1 10 LYS NZ N 3.047 -13.321 7.550 1.00 . A A . 10 LYS NZ 1 1 27 31936 1 1 10 LYS O O 6.816 -12.886 7.592 1.00 . A A . 10 LYS O 1 1 27 31937 1 1 11 GLY C C 7.360 -9.899 4.634 1.00 . A A . 11 GLY C 1 1 27 31938 1 1 11 GLY CA C 7.268 -11.132 5.516 1.00 . A A . 11 GLY CA 1 1 27 31939 1 1 11 GLY H H 7.442 -9.825 7.195 1.00 . A A . 11 GLY H 1 1 27 31940 1 1 11 GLY HA2 H 8.085 -11.818 5.300 1.00 . A A . 11 GLY HA2 1 1 27 31941 1 1 11 GLY HA3 H 6.316 -11.609 5.295 1.00 . A A . 11 GLY HA3 1 1 27 31942 1 1 11 GLY N N 7.288 -10.793 6.925 1.00 . A A . 11 GLY N 1 1 27 31943 1 1 11 GLY O O 6.419 -9.107 4.603 1.00 . A A . 11 GLY O 1 1 27 31944 1 1 12 ASN C C 7.439 -8.328 2.195 1.00 . A A . 12 ASN C 1 1 27 31945 1 1 12 ASN CA C 8.748 -8.781 2.858 1.00 . A A . 12 ASN CA 1 1 27 31946 1 1 12 ASN CB C 9.672 -9.397 1.788 1.00 . A A . 12 ASN CB 1 1 27 31947 1 1 12 ASN CG C 10.817 -10.232 2.362 1.00 . A A . 12 ASN CG 1 1 27 31948 1 1 12 ASN H H 9.209 -10.430 4.115 1.00 . A A . 12 ASN H 1 1 27 31949 1 1 12 ASN HA H 9.289 -7.929 3.294 1.00 . A A . 12 ASN HA 1 1 27 31950 1 1 12 ASN HB2 H 9.084 -10.038 1.131 1.00 . A A . 12 ASN HB2 1 1 27 31951 1 1 12 ASN HB3 H 10.091 -8.593 1.179 1.00 . A A . 12 ASN HB3 1 1 27 31952 1 1 12 ASN HD21 H 11.109 -8.911 3.875 1.00 . A A . 12 ASN HD21 1 1 27 31953 1 1 12 ASN HD22 H 12.197 -10.271 3.849 1.00 . A A . 12 ASN HD22 1 1 27 31954 1 1 12 ASN N N 8.479 -9.763 3.917 1.00 . A A . 12 ASN N 1 1 27 31955 1 1 12 ASN ND2 N 11.391 -9.792 3.475 1.00 . A A . 12 ASN ND2 1 1 27 31956 1 1 12 ASN O O 6.743 -9.141 1.582 1.00 . A A . 12 ASN O 1 1 27 31957 1 1 12 ASN OD1 O 11.140 -11.301 1.856 1.00 . A A . 12 ASN OD1 1 1 27 31958 1 1 13 VAL C C 6.316 -5.810 0.485 1.00 . A A . 13 VAL C 1 1 27 31959 1 1 13 VAL CA C 5.886 -6.460 1.784 1.00 . A A . 13 VAL CA 1 1 27 31960 1 1 13 VAL CB C 5.316 -5.400 2.734 1.00 . A A . 13 VAL CB 1 1 27 31961 1 1 13 VAL CG1 C 4.299 -4.473 2.066 1.00 . A A . 13 VAL CG1 1 1 27 31962 1 1 13 VAL CG2 C 4.620 -6.051 3.924 1.00 . A A . 13 VAL CG2 1 1 27 31963 1 1 13 VAL H H 7.729 -6.425 2.831 1.00 . A A . 13 VAL H 1 1 27 31964 1 1 13 VAL HA H 5.118 -7.208 1.588 1.00 . A A . 13 VAL HA 1 1 27 31965 1 1 13 VAL HB H 6.137 -4.789 3.107 1.00 . A A . 13 VAL HB 1 1 27 31966 1 1 13 VAL HG11 H 3.391 -5.015 1.803 1.00 . A A . 13 VAL HG11 1 1 27 31967 1 1 13 VAL HG12 H 4.083 -3.709 2.799 1.00 . A A . 13 VAL HG12 1 1 27 31968 1 1 13 VAL HG13 H 4.687 -3.966 1.186 1.00 . A A . 13 VAL HG13 1 1 27 31969 1 1 13 VAL HG21 H 5.310 -6.728 4.407 1.00 . A A . 13 VAL HG21 1 1 27 31970 1 1 13 VAL HG22 H 4.321 -5.290 4.642 1.00 . A A . 13 VAL HG22 1 1 27 31971 1 1 13 VAL HG23 H 3.740 -6.605 3.593 1.00 . A A . 13 VAL HG23 1 1 27 31972 1 1 13 VAL N N 7.084 -7.053 2.364 1.00 . A A . 13 VAL N 1 1 27 31973 1 1 13 VAL O O 6.959 -4.762 0.526 1.00 . A A . 13 VAL O 1 1 27 31974 1 1 14 THR C C 4.977 -5.163 -2.452 1.00 . A A . 14 THR C 1 1 27 31975 1 1 14 THR CA C 6.250 -5.842 -1.957 1.00 . A A . 14 THR CA 1 1 27 31976 1 1 14 THR CB C 6.762 -6.944 -2.888 1.00 . A A . 14 THR CB 1 1 27 31977 1 1 14 THR CG2 C 7.188 -6.387 -4.250 1.00 . A A . 14 THR CG2 1 1 27 31978 1 1 14 THR H H 5.416 -7.255 -0.611 1.00 . A A . 14 THR H 1 1 27 31979 1 1 14 THR HA H 7.029 -5.086 -1.890 1.00 . A A . 14 THR HA 1 1 27 31980 1 1 14 THR HB H 5.976 -7.688 -3.042 1.00 . A A . 14 THR HB 1 1 27 31981 1 1 14 THR HG1 H 8.317 -6.946 -1.685 1.00 . A A . 14 THR HG1 1 1 27 31982 1 1 14 THR HG21 H 7.602 -7.194 -4.855 1.00 . A A . 14 THR HG21 1 1 27 31983 1 1 14 THR HG22 H 6.327 -5.968 -4.772 1.00 . A A . 14 THR HG22 1 1 27 31984 1 1 14 THR HG23 H 7.943 -5.613 -4.126 1.00 . A A . 14 THR HG23 1 1 27 31985 1 1 14 THR N N 5.982 -6.414 -0.649 1.00 . A A . 14 THR N 1 1 27 31986 1 1 14 THR O O 3.887 -5.711 -2.298 1.00 . A A . 14 THR O 1 1 27 31987 1 1 14 THR OG1 O 7.875 -7.572 -2.276 1.00 . A A . 14 THR OG1 1 1 27 31988 1 1 15 PHE C C 4.446 -2.395 -4.709 1.00 . A A . 15 PHE C 1 1 27 31989 1 1 15 PHE CA C 3.976 -3.192 -3.506 1.00 . A A . 15 PHE CA 1 1 27 31990 1 1 15 PHE CB C 3.391 -2.289 -2.414 1.00 . A A . 15 PHE CB 1 1 27 31991 1 1 15 PHE CD1 C 5.347 -1.603 -0.978 1.00 . A A . 15 PHE CD1 1 1 27 31992 1 1 15 PHE CD2 C 4.125 0.121 -2.195 1.00 . A A . 15 PHE CD2 1 1 27 31993 1 1 15 PHE CE1 C 6.205 -0.627 -0.462 1.00 . A A . 15 PHE CE1 1 1 27 31994 1 1 15 PHE CE2 C 4.937 1.107 -1.615 1.00 . A A . 15 PHE CE2 1 1 27 31995 1 1 15 PHE CG C 4.320 -1.234 -1.864 1.00 . A A . 15 PHE CG 1 1 27 31996 1 1 15 PHE CZ C 5.989 0.726 -0.764 1.00 . A A . 15 PHE CZ 1 1 27 31997 1 1 15 PHE H H 6.021 -3.516 -3.100 1.00 . A A . 15 PHE H 1 1 27 31998 1 1 15 PHE HA H 3.192 -3.877 -3.833 1.00 . A A . 15 PHE HA 1 1 27 31999 1 1 15 PHE HB2 H 2.503 -1.791 -2.800 1.00 . A A . 15 PHE HB2 1 1 27 32000 1 1 15 PHE HB3 H 3.092 -2.917 -1.582 1.00 . A A . 15 PHE HB3 1 1 27 32001 1 1 15 PHE HD1 H 5.496 -2.636 -0.704 1.00 . A A . 15 PHE HD1 1 1 27 32002 1 1 15 PHE HD2 H 3.363 0.410 -2.908 1.00 . A A . 15 PHE HD2 1 1 27 32003 1 1 15 PHE HE1 H 7.000 -0.909 0.211 1.00 . A A . 15 PHE HE1 1 1 27 32004 1 1 15 PHE HE2 H 4.761 2.150 -1.840 1.00 . A A . 15 PHE HE2 1 1 27 32005 1 1 15 PHE HZ H 6.661 1.458 -0.361 1.00 . A A . 15 PHE HZ 1 1 27 32006 1 1 15 PHE N N 5.104 -3.951 -2.998 1.00 . A A . 15 PHE N 1 1 27 32007 1 1 15 PHE O O 5.542 -1.826 -4.705 1.00 . A A . 15 PHE O 1 1 27 32008 1 1 16 ASP C C 3.894 -0.140 -6.573 1.00 . A A . 16 ASP C 1 1 27 32009 1 1 16 ASP CA C 3.963 -1.612 -6.939 1.00 . A A . 16 ASP CA 1 1 27 32010 1 1 16 ASP CB C 3.028 -1.868 -8.124 1.00 . A A . 16 ASP CB 1 1 27 32011 1 1 16 ASP CG C 2.274 -3.181 -8.053 1.00 . A A . 16 ASP CG 1 1 27 32012 1 1 16 ASP H H 2.741 -2.874 -5.777 1.00 . A A . 16 ASP H 1 1 27 32013 1 1 16 ASP HA H 4.967 -1.891 -7.253 1.00 . A A . 16 ASP HA 1 1 27 32014 1 1 16 ASP HB2 H 2.290 -1.072 -8.154 1.00 . A A . 16 ASP HB2 1 1 27 32015 1 1 16 ASP HB3 H 3.610 -1.832 -9.045 1.00 . A A . 16 ASP HB3 1 1 27 32016 1 1 16 ASP N N 3.637 -2.386 -5.767 1.00 . A A . 16 ASP N 1 1 27 32017 1 1 16 ASP O O 3.203 0.266 -5.637 1.00 . A A . 16 ASP O 1 1 27 32018 1 1 16 ASP OD1 O 1.499 -3.291 -7.079 1.00 . A A . 16 ASP OD1 1 1 27 32019 1 1 16 ASP OD2 O 2.479 -4.013 -8.960 1.00 . A A . 16 ASP OD2 1 1 27 32020 1 1 17 HIS C C 3.925 2.532 -8.684 1.00 . A A . 17 HIS C 1 1 27 32021 1 1 17 HIS CA C 4.534 2.088 -7.356 1.00 . A A . 17 HIS CA 1 1 27 32022 1 1 17 HIS CB C 5.970 2.573 -7.121 1.00 . A A . 17 HIS CB 1 1 27 32023 1 1 17 HIS CD2 C 5.252 4.660 -5.851 1.00 . A A . 17 HIS CD2 1 1 27 32024 1 1 17 HIS CE1 C 6.697 6.105 -6.628 1.00 . A A . 17 HIS CE1 1 1 27 32025 1 1 17 HIS CG C 6.070 4.014 -6.730 1.00 . A A . 17 HIS CG 1 1 27 32026 1 1 17 HIS H H 5.092 0.216 -8.142 1.00 . A A . 17 HIS H 1 1 27 32027 1 1 17 HIS HA H 3.885 2.424 -6.547 1.00 . A A . 17 HIS HA 1 1 27 32028 1 1 17 HIS HB2 H 6.424 1.987 -6.323 1.00 . A A . 17 HIS HB2 1 1 27 32029 1 1 17 HIS HB3 H 6.558 2.421 -8.020 1.00 . A A . 17 HIS HB3 1 1 27 32030 1 1 17 HIS HD1 H 7.762 4.703 -7.817 1.00 . A A . 17 HIS HD1 1 1 27 32031 1 1 17 HIS HD2 H 4.440 4.219 -5.299 1.00 . A A . 17 HIS HD2 1 1 27 32032 1 1 17 HIS HE1 H 7.225 7.028 -6.806 1.00 . A A . 17 HIS HE1 1 1 27 32033 1 1 17 HIS N N 4.571 0.650 -7.390 1.00 . A A . 17 HIS N 1 1 27 32034 1 1 17 HIS ND1 N 6.996 4.919 -7.191 1.00 . A A . 17 HIS ND1 1 1 27 32035 1 1 17 HIS NE2 N 5.637 5.995 -5.809 1.00 . A A . 17 HIS NE2 1 1 27 32036 1 1 17 HIS O O 2.791 3.000 -8.730 1.00 . A A . 17 HIS O 1 1 27 32037 1 1 18 LYS C C 2.867 1.929 -11.434 1.00 . A A . 18 LYS C 1 1 27 32038 1 1 18 LYS CA C 4.229 2.558 -11.143 1.00 . A A . 18 LYS CA 1 1 27 32039 1 1 18 LYS CB C 5.352 2.150 -12.104 1.00 . A A . 18 LYS CB 1 1 27 32040 1 1 18 LYS CD C 5.057 0.177 -13.622 1.00 . A A . 18 LYS CD 1 1 27 32041 1 1 18 LYS CE C 4.020 -0.488 -14.536 1.00 . A A . 18 LYS CE 1 1 27 32042 1 1 18 LYS CG C 4.895 1.695 -13.493 1.00 . A A . 18 LYS CG 1 1 27 32043 1 1 18 LYS H H 5.515 1.777 -9.648 1.00 . A A . 18 LYS H 1 1 27 32044 1 1 18 LYS HA H 4.118 3.628 -11.271 1.00 . A A . 18 LYS HA 1 1 27 32045 1 1 18 LYS HB2 H 6.020 3.005 -12.217 1.00 . A A . 18 LYS HB2 1 1 27 32046 1 1 18 LYS HB3 H 5.934 1.351 -11.656 1.00 . A A . 18 LYS HB3 1 1 27 32047 1 1 18 LYS HD2 H 6.080 -0.022 -13.955 1.00 . A A . 18 LYS HD2 1 1 27 32048 1 1 18 LYS HD3 H 4.946 -0.270 -12.634 1.00 . A A . 18 LYS HD3 1 1 27 32049 1 1 18 LYS HE2 H 4.292 -1.532 -14.710 1.00 . A A . 18 LYS HE2 1 1 27 32050 1 1 18 LYS HE3 H 3.058 -0.473 -14.024 1.00 . A A . 18 LYS HE3 1 1 27 32051 1 1 18 LYS HG2 H 3.890 2.051 -13.722 1.00 . A A . 18 LYS HG2 1 1 27 32052 1 1 18 LYS HG3 H 5.570 2.144 -14.207 1.00 . A A . 18 LYS HG3 1 1 27 32053 1 1 18 LYS HZ1 H 2.936 -0.115 -16.216 1.00 . A A . 18 LYS HZ1 1 1 27 32054 1 1 18 LYS HZ2 H 3.606 1.185 -15.676 1.00 . A A . 18 LYS HZ2 1 1 27 32055 1 1 18 LYS HZ3 H 4.589 0.094 -16.478 1.00 . A A . 18 LYS HZ3 1 1 27 32056 1 1 18 LYS N N 4.648 2.284 -9.778 1.00 . A A . 18 LYS N 1 1 27 32057 1 1 18 LYS NZ N 3.830 0.199 -15.827 1.00 . A A . 18 LYS NZ 1 1 27 32058 1 1 18 LYS O O 1.939 2.624 -11.824 1.00 . A A . 18 LYS O 1 1 27 32059 1 1 19 ALA C C 0.283 0.577 -10.809 1.00 . A A . 19 ALA C 1 1 27 32060 1 1 19 ALA CA C 1.468 -0.063 -11.543 1.00 . A A . 19 ALA CA 1 1 27 32061 1 1 19 ALA CB C 1.557 -1.527 -11.160 1.00 . A A . 19 ALA CB 1 1 27 32062 1 1 19 ALA H H 3.578 0.099 -11.087 1.00 . A A . 19 ALA H 1 1 27 32063 1 1 19 ALA HA H 1.281 -0.022 -12.615 1.00 . A A . 19 ALA HA 1 1 27 32064 1 1 19 ALA HB1 H 1.449 -1.579 -10.085 1.00 . A A . 19 ALA HB1 1 1 27 32065 1 1 19 ALA HB2 H 0.729 -2.068 -11.615 1.00 . A A . 19 ALA HB2 1 1 27 32066 1 1 19 ALA HB3 H 2.506 -1.957 -11.473 1.00 . A A . 19 ALA HB3 1 1 27 32067 1 1 19 ALA N N 2.734 0.618 -11.271 1.00 . A A . 19 ALA N 1 1 27 32068 1 1 19 ALA O O -0.693 0.977 -11.441 1.00 . A A . 19 ALA O 1 1 27 32069 1 1 20 HIS C C -0.868 2.765 -9.268 1.00 . A A . 20 HIS C 1 1 27 32070 1 1 20 HIS CA C -0.664 1.364 -8.691 1.00 . A A . 20 HIS CA 1 1 27 32071 1 1 20 HIS CB C -0.277 1.427 -7.199 1.00 . A A . 20 HIS CB 1 1 27 32072 1 1 20 HIS CD2 C -1.677 0.129 -5.440 1.00 . A A . 20 HIS CD2 1 1 27 32073 1 1 20 HIS CE1 C -0.681 -1.806 -5.538 1.00 . A A . 20 HIS CE1 1 1 27 32074 1 1 20 HIS CG C -0.675 0.213 -6.384 1.00 . A A . 20 HIS CG 1 1 27 32075 1 1 20 HIS H H 1.225 0.433 -9.017 1.00 . A A . 20 HIS H 1 1 27 32076 1 1 20 HIS HA H -1.604 0.820 -8.787 1.00 . A A . 20 HIS HA 1 1 27 32077 1 1 20 HIS HB2 H 0.797 1.589 -7.103 1.00 . A A . 20 HIS HB2 1 1 27 32078 1 1 20 HIS HB3 H -0.771 2.286 -6.756 1.00 . A A . 20 HIS HB3 1 1 27 32079 1 1 20 HIS HD1 H 0.723 -1.300 -7.003 1.00 . A A . 20 HIS HD1 1 1 27 32080 1 1 20 HIS HD2 H -2.344 0.920 -5.146 1.00 . A A . 20 HIS HD2 1 1 27 32081 1 1 20 HIS HE1 H -0.398 -2.832 -5.382 1.00 . A A . 20 HIS HE1 1 1 27 32082 1 1 20 HIS N N 0.367 0.693 -9.477 1.00 . A A . 20 HIS N 1 1 27 32083 1 1 20 HIS ND1 N -0.056 -1.012 -6.422 1.00 . A A . 20 HIS ND1 1 1 27 32084 1 1 20 HIS NE2 N -1.683 -1.168 -4.908 1.00 . A A . 20 HIS NE2 1 1 27 32085 1 1 20 HIS O O -1.987 3.252 -9.374 1.00 . A A . 20 HIS O 1 1 27 32086 1 1 21 ALA C C -0.672 4.851 -11.486 1.00 . A A . 21 ALA C 1 1 27 32087 1 1 21 ALA CA C 0.137 4.776 -10.185 1.00 . A A . 21 ALA CA 1 1 27 32088 1 1 21 ALA CB C 1.534 5.368 -10.330 1.00 . A A . 21 ALA CB 1 1 27 32089 1 1 21 ALA H H 1.108 2.917 -9.659 1.00 . A A . 21 ALA H 1 1 27 32090 1 1 21 ALA HA H -0.383 5.384 -9.444 1.00 . A A . 21 ALA HA 1 1 27 32091 1 1 21 ALA HB1 H 1.430 6.400 -10.642 1.00 . A A . 21 ALA HB1 1 1 27 32092 1 1 21 ALA HB2 H 2.053 5.313 -9.373 1.00 . A A . 21 ALA HB2 1 1 27 32093 1 1 21 ALA HB3 H 2.115 4.844 -11.079 1.00 . A A . 21 ALA HB3 1 1 27 32094 1 1 21 ALA N N 0.217 3.417 -9.675 1.00 . A A . 21 ALA N 1 1 27 32095 1 1 21 ALA O O -1.598 5.637 -11.592 1.00 . A A . 21 ALA O 1 1 27 32096 1 1 22 GLU C C -2.517 3.557 -13.599 1.00 . A A . 22 GLU C 1 1 27 32097 1 1 22 GLU CA C -1.082 4.059 -13.756 1.00 . A A . 22 GLU CA 1 1 27 32098 1 1 22 GLU CB C -0.297 3.350 -14.871 1.00 . A A . 22 GLU CB 1 1 27 32099 1 1 22 GLU CD C 1.237 1.422 -15.464 1.00 . A A . 22 GLU CD 1 1 27 32100 1 1 22 GLU CG C 0.059 1.881 -14.614 1.00 . A A . 22 GLU CG 1 1 27 32101 1 1 22 GLU H H 0.341 3.348 -12.293 1.00 . A A . 22 GLU H 1 1 27 32102 1 1 22 GLU HA H -1.156 5.103 -14.067 1.00 . A A . 22 GLU HA 1 1 27 32103 1 1 22 GLU HB2 H -0.878 3.393 -15.791 1.00 . A A . 22 GLU HB2 1 1 27 32104 1 1 22 GLU HB3 H 0.622 3.918 -15.014 1.00 . A A . 22 GLU HB3 1 1 27 32105 1 1 22 GLU HG2 H 0.360 1.761 -13.583 1.00 . A A . 22 GLU HG2 1 1 27 32106 1 1 22 GLU HG3 H -0.806 1.247 -14.804 1.00 . A A . 22 GLU HG3 1 1 27 32107 1 1 22 GLU N N -0.371 4.030 -12.481 1.00 . A A . 22 GLU N 1 1 27 32108 1 1 22 GLU O O -3.431 4.093 -14.221 1.00 . A A . 22 GLU O 1 1 27 32109 1 1 22 GLU OE1 O 2.229 2.177 -15.573 1.00 . A A . 22 GLU OE1 1 1 27 32110 1 1 22 GLU OE2 O 1.242 0.261 -15.929 1.00 . A A . 22 GLU OE2 1 1 27 32111 1 1 23 LYS C C -4.894 3.128 -11.721 1.00 . A A . 23 LYS C 1 1 27 32112 1 1 23 LYS CA C -4.059 2.060 -12.443 1.00 . A A . 23 LYS CA 1 1 27 32113 1 1 23 LYS CB C -3.943 0.767 -11.624 1.00 . A A . 23 LYS CB 1 1 27 32114 1 1 23 LYS CD C -4.214 -0.858 -13.557 1.00 . A A . 23 LYS CD 1 1 27 32115 1 1 23 LYS CE C -3.789 -2.217 -14.136 1.00 . A A . 23 LYS CE 1 1 27 32116 1 1 23 LYS CG C -3.302 -0.384 -12.419 1.00 . A A . 23 LYS CG 1 1 27 32117 1 1 23 LYS H H -1.937 2.092 -12.304 1.00 . A A . 23 LYS H 1 1 27 32118 1 1 23 LYS HA H -4.580 1.842 -13.375 1.00 . A A . 23 LYS HA 1 1 27 32119 1 1 23 LYS HB2 H -3.333 0.964 -10.741 1.00 . A A . 23 LYS HB2 1 1 27 32120 1 1 23 LYS HB3 H -4.935 0.462 -11.284 1.00 . A A . 23 LYS HB3 1 1 27 32121 1 1 23 LYS HD2 H -5.240 -0.906 -13.192 1.00 . A A . 23 LYS HD2 1 1 27 32122 1 1 23 LYS HD3 H -4.172 -0.123 -14.362 1.00 . A A . 23 LYS HD3 1 1 27 32123 1 1 23 LYS HE2 H -4.283 -2.348 -15.100 1.00 . A A . 23 LYS HE2 1 1 27 32124 1 1 23 LYS HE3 H -2.709 -2.230 -14.295 1.00 . A A . 23 LYS HE3 1 1 27 32125 1 1 23 LYS HG2 H -2.351 -0.066 -12.852 1.00 . A A . 23 LYS HG2 1 1 27 32126 1 1 23 LYS HG3 H -3.116 -1.198 -11.716 1.00 . A A . 23 LYS HG3 1 1 27 32127 1 1 23 LYS HZ1 H -5.166 -3.304 -12.997 1.00 . A A . 23 LYS HZ1 1 1 27 32128 1 1 23 LYS HZ2 H -3.990 -4.250 -13.673 1.00 . A A . 23 LYS HZ2 1 1 27 32129 1 1 23 LYS HZ3 H -3.748 -3.308 -12.344 1.00 . A A . 23 LYS HZ3 1 1 27 32130 1 1 23 LYS N N -2.727 2.543 -12.756 1.00 . A A . 23 LYS N 1 1 27 32131 1 1 23 LYS NZ N -4.180 -3.348 -13.271 1.00 . A A . 23 LYS NZ 1 1 27 32132 1 1 23 LYS O O -6.089 3.240 -11.990 1.00 . A A . 23 LYS O 1 1 27 32133 1 1 24 LEU C C -4.812 6.214 -10.099 1.00 . A A . 24 LEU C 1 1 27 32134 1 1 24 LEU CA C -5.026 4.717 -9.841 1.00 . A A . 24 LEU CA 1 1 27 32135 1 1 24 LEU CB C -4.631 4.346 -8.405 1.00 . A A . 24 LEU CB 1 1 27 32136 1 1 24 LEU CD1 C -4.004 2.531 -6.793 1.00 . A A . 24 LEU CD1 1 1 27 32137 1 1 24 LEU CD2 C -6.162 2.353 -8.098 1.00 . A A . 24 LEU CD2 1 1 27 32138 1 1 24 LEU CG C -4.711 2.835 -8.115 1.00 . A A . 24 LEU CG 1 1 27 32139 1 1 24 LEU H H -3.314 3.704 -10.590 1.00 . A A . 24 LEU H 1 1 27 32140 1 1 24 LEU HA H -6.096 4.532 -9.929 1.00 . A A . 24 LEU HA 1 1 27 32141 1 1 24 LEU HB2 H -3.619 4.701 -8.209 1.00 . A A . 24 LEU HB2 1 1 27 32142 1 1 24 LEU HB3 H -5.307 4.868 -7.728 1.00 . A A . 24 LEU HB3 1 1 27 32143 1 1 24 LEU HD11 H -4.380 3.160 -5.993 1.00 . A A . 24 LEU HD11 1 1 27 32144 1 1 24 LEU HD12 H -4.140 1.482 -6.536 1.00 . A A . 24 LEU HD12 1 1 27 32145 1 1 24 LEU HD13 H -2.943 2.735 -6.903 1.00 . A A . 24 LEU HD13 1 1 27 32146 1 1 24 LEU HD21 H -6.201 1.343 -7.695 1.00 . A A . 24 LEU HD21 1 1 27 32147 1 1 24 LEU HD22 H -6.778 3.012 -7.490 1.00 . A A . 24 LEU HD22 1 1 27 32148 1 1 24 LEU HD23 H -6.553 2.340 -9.115 1.00 . A A . 24 LEU HD23 1 1 27 32149 1 1 24 LEU HG H -4.191 2.252 -8.871 1.00 . A A . 24 LEU HG 1 1 27 32150 1 1 24 LEU N N -4.294 3.875 -10.786 1.00 . A A . 24 LEU N 1 1 27 32151 1 1 24 LEU O O -5.782 6.965 -10.160 1.00 . A A . 24 LEU O 1 1 27 32152 1 1 25 GLY C C -1.854 8.351 -9.925 1.00 . A A . 25 GLY C 1 1 27 32153 1 1 25 GLY CA C -3.185 8.017 -10.593 1.00 . A A . 25 GLY CA 1 1 27 32154 1 1 25 GLY H H -2.784 6.000 -10.257 1.00 . A A . 25 GLY H 1 1 27 32155 1 1 25 GLY HA2 H -3.065 8.067 -11.676 1.00 . A A . 25 GLY HA2 1 1 27 32156 1 1 25 GLY HA3 H -3.946 8.739 -10.291 1.00 . A A . 25 GLY HA3 1 1 27 32157 1 1 25 GLY N N -3.558 6.661 -10.224 1.00 . A A . 25 GLY N 1 1 27 32158 1 1 25 GLY O O -0.794 8.133 -10.500 1.00 . A A . 25 GLY O 1 1 27 32159 1 1 26 CYS C C -1.731 9.506 -6.376 1.00 . A A . 26 CYS C 1 1 27 32160 1 1 26 CYS CA C -0.965 9.199 -7.672 1.00 . A A . 26 CYS CA 1 1 27 32161 1 1 26 CYS CB C -0.170 10.452 -8.001 1.00 . A A . 26 CYS CB 1 1 27 32162 1 1 26 CYS H H -2.927 8.787 -8.382 1.00 . A A . 26 CYS H 1 1 27 32163 1 1 26 CYS HA H -0.287 8.372 -7.490 1.00 . A A . 26 CYS HA 1 1 27 32164 1 1 26 CYS HB2 H -0.858 11.295 -8.084 1.00 . A A . 26 CYS HB2 1 1 27 32165 1 1 26 CYS HB3 H 0.498 10.651 -7.163 1.00 . A A . 26 CYS HB3 1 1 27 32166 1 1 26 CYS N N -1.968 8.815 -8.681 1.00 . A A . 26 CYS N 1 1 27 32167 1 1 26 CYS O O -1.333 9.102 -5.280 1.00 . A A . 26 CYS O 1 1 27 32168 1 1 26 CYS SG S 0.855 10.478 -9.502 1.00 . A A . 26 CYS SG 1 1 27 32169 1 1 27 ASP C C -4.082 9.758 -4.505 1.00 . A A . 27 ASP C 1 1 27 32170 1 1 27 ASP CA C -3.763 10.794 -5.566 1.00 . A A . 27 ASP CA 1 1 27 32171 1 1 27 ASP CB C -5.071 11.227 -6.260 1.00 . A A . 27 ASP CB 1 1 27 32172 1 1 27 ASP CG C -4.876 11.915 -7.609 1.00 . A A . 27 ASP CG 1 1 27 32173 1 1 27 ASP H H -3.125 10.443 -7.504 1.00 . A A . 27 ASP H 1 1 27 32174 1 1 27 ASP HA H -3.298 11.669 -5.114 1.00 . A A . 27 ASP HA 1 1 27 32175 1 1 27 ASP HB2 H -5.700 10.356 -6.445 1.00 . A A . 27 ASP HB2 1 1 27 32176 1 1 27 ASP HB3 H -5.607 11.896 -5.587 1.00 . A A . 27 ASP HB3 1 1 27 32177 1 1 27 ASP N N -2.850 10.222 -6.551 1.00 . A A . 27 ASP N 1 1 27 32178 1 1 27 ASP O O -4.128 10.046 -3.312 1.00 . A A . 27 ASP O 1 1 27 32179 1 1 27 ASP OD1 O -4.298 11.237 -8.493 1.00 . A A . 27 ASP OD1 1 1 27 32180 1 1 27 ASP OD2 O -5.307 13.079 -7.734 1.00 . A A . 27 ASP OD2 1 1 27 32181 1 1 28 ALA C C -3.627 7.306 -2.951 1.00 . A A . 28 ALA C 1 1 27 32182 1 1 28 ALA CA C -4.390 7.289 -4.272 1.00 . A A . 28 ALA CA 1 1 27 32183 1 1 28 ALA CB C -3.838 6.173 -5.162 1.00 . A A . 28 ALA CB 1 1 27 32184 1 1 28 ALA H H -4.238 8.473 -6.006 1.00 . A A . 28 ALA H 1 1 27 32185 1 1 28 ALA HA H -5.449 7.126 -4.095 1.00 . A A . 28 ALA HA 1 1 27 32186 1 1 28 ALA HB1 H -2.837 6.431 -5.506 1.00 . A A . 28 ALA HB1 1 1 27 32187 1 1 28 ALA HB2 H -3.779 5.241 -4.602 1.00 . A A . 28 ALA HB2 1 1 27 32188 1 1 28 ALA HB3 H -4.489 6.045 -6.023 1.00 . A A . 28 ALA HB3 1 1 27 32189 1 1 28 ALA N N -4.278 8.534 -5.002 1.00 . A A . 28 ALA N 1 1 27 32190 1 1 28 ALA O O -4.151 6.884 -1.922 1.00 . A A . 28 ALA O 1 1 27 32191 1 1 29 CYS C C -0.836 9.037 -1.598 1.00 . A A . 29 CYS C 1 1 27 32192 1 1 29 CYS CA C -1.419 7.658 -1.921 1.00 . A A . 29 CYS CA 1 1 27 32193 1 1 29 CYS CB C -0.346 6.664 -2.283 1.00 . A A . 29 CYS CB 1 1 27 32194 1 1 29 CYS H H -2.031 8.062 -3.921 1.00 . A A . 29 CYS H 1 1 27 32195 1 1 29 CYS HA H -1.916 7.296 -1.020 1.00 . A A . 29 CYS HA 1 1 27 32196 1 1 29 CYS HB2 H 0.309 7.108 -3.033 1.00 . A A . 29 CYS HB2 1 1 27 32197 1 1 29 CYS HB3 H 0.227 6.414 -1.395 1.00 . A A . 29 CYS HB3 1 1 27 32198 1 1 29 CYS N N -2.367 7.737 -3.019 1.00 . A A . 29 CYS N 1 1 27 32199 1 1 29 CYS O O -0.598 9.342 -0.432 1.00 . A A . 29 CYS O 1 1 27 32200 1 1 29 CYS SG S -1.076 5.128 -2.933 1.00 . A A . 29 CYS SG 1 1 27 32201 1 1 30 HIS C C -0.859 12.295 -2.774 1.00 . A A . 30 HIS C 1 1 27 32202 1 1 30 HIS CA C 0.096 11.148 -2.461 1.00 . A A . 30 HIS CA 1 1 27 32203 1 1 30 HIS CB C 1.262 11.221 -3.439 1.00 . A A . 30 HIS CB 1 1 27 32204 1 1 30 HIS CD2 C 2.600 9.182 -4.054 1.00 . A A . 30 HIS CD2 1 1 27 32205 1 1 30 HIS CE1 C 4.290 9.339 -2.685 1.00 . A A . 30 HIS CE1 1 1 27 32206 1 1 30 HIS CG C 2.340 10.202 -3.193 1.00 . A A . 30 HIS CG 1 1 27 32207 1 1 30 HIS H H -0.863 9.608 -3.557 1.00 . A A . 30 HIS H 1 1 27 32208 1 1 30 HIS HA H 0.521 11.277 -1.465 1.00 . A A . 30 HIS HA 1 1 27 32209 1 1 30 HIS HB2 H 0.862 11.072 -4.444 1.00 . A A . 30 HIS HB2 1 1 27 32210 1 1 30 HIS HB3 H 1.658 12.232 -3.420 1.00 . A A . 30 HIS HB3 1 1 27 32211 1 1 30 HIS HD1 H 3.618 10.977 -1.603 1.00 . A A . 30 HIS HD1 1 1 27 32212 1 1 30 HIS HD2 H 2.033 8.884 -4.915 1.00 . A A . 30 HIS HD2 1 1 27 32213 1 1 30 HIS HE1 H 5.275 9.189 -2.275 1.00 . A A . 30 HIS HE1 1 1 27 32214 1 1 30 HIS N N -0.580 9.868 -2.616 1.00 . A A . 30 HIS N 1 1 27 32215 1 1 30 HIS ND1 N 3.402 10.274 -2.308 1.00 . A A . 30 HIS ND1 1 1 27 32216 1 1 30 HIS NE2 N 3.840 8.660 -3.741 1.00 . A A . 30 HIS NE2 1 1 27 32217 1 1 30 HIS O O -1.240 12.457 -3.930 1.00 . A A . 30 HIS O 1 1 27 32218 1 1 31 GLU C C -1.024 15.485 -2.433 1.00 . A A . 31 GLU C 1 1 27 32219 1 1 31 GLU CA C -1.942 14.342 -1.974 1.00 . A A . 31 GLU CA 1 1 27 32220 1 1 31 GLU CB C -2.704 14.681 -0.682 1.00 . A A . 31 GLU CB 1 1 27 32221 1 1 31 GLU CD C -4.549 14.015 0.901 1.00 . A A . 31 GLU CD 1 1 27 32222 1 1 31 GLU CG C -3.714 13.600 -0.306 1.00 . A A . 31 GLU CG 1 1 27 32223 1 1 31 GLU H H -0.843 12.908 -0.847 1.00 . A A . 31 GLU H 1 1 27 32224 1 1 31 GLU HA H -2.683 14.184 -2.760 1.00 . A A . 31 GLU HA 1 1 27 32225 1 1 31 GLU HB2 H -2.016 14.797 0.158 1.00 . A A . 31 GLU HB2 1 1 27 32226 1 1 31 GLU HB3 H -3.274 15.603 -0.819 1.00 . A A . 31 GLU HB3 1 1 27 32227 1 1 31 GLU HG2 H -4.373 13.433 -1.157 1.00 . A A . 31 GLU HG2 1 1 27 32228 1 1 31 GLU HG3 H -3.190 12.677 -0.068 1.00 . A A . 31 GLU HG3 1 1 27 32229 1 1 31 GLU N N -1.172 13.123 -1.776 1.00 . A A . 31 GLU N 1 1 27 32230 1 1 31 GLU O O -0.428 15.427 -3.505 1.00 . A A . 31 GLU O 1 1 27 32231 1 1 31 GLU OE1 O -4.039 14.846 1.684 1.00 . A A . 31 GLU OE1 1 1 27 32232 1 1 31 GLU OE2 O -5.686 13.509 1.010 1.00 . A A . 31 GLU OE2 1 1 27 32233 1 1 32 GLY C C 1.040 17.756 -2.625 1.00 . A A . 32 GLY C 1 1 27 32234 1 1 32 GLY CA C -0.339 17.829 -1.963 1.00 . A A . 32 GLY CA 1 1 27 32235 1 1 32 GLY H H -1.440 16.479 -0.749 1.00 . A A . 32 GLY H 1 1 27 32236 1 1 32 GLY HA2 H -1.024 18.343 -2.639 1.00 . A A . 32 GLY HA2 1 1 27 32237 1 1 32 GLY HA3 H -0.248 18.422 -1.053 1.00 . A A . 32 GLY HA3 1 1 27 32238 1 1 32 GLY N N -0.922 16.537 -1.613 1.00 . A A . 32 GLY N 1 1 27 32239 1 1 32 GLY O O 1.326 18.521 -3.542 1.00 . A A . 32 GLY O 1 1 27 32240 1 1 33 THR C C 3.632 15.221 -2.318 1.00 . A A . 33 THR C 1 1 27 32241 1 1 33 THR CA C 3.239 16.650 -2.692 1.00 . A A . 33 THR CA 1 1 27 32242 1 1 33 THR CB C 4.218 17.710 -2.157 1.00 . A A . 33 THR CB 1 1 27 32243 1 1 33 THR CG2 C 4.306 17.737 -0.626 1.00 . A A . 33 THR CG2 1 1 27 32244 1 1 33 THR H H 1.627 16.236 -1.406 1.00 . A A . 33 THR H 1 1 27 32245 1 1 33 THR HA H 3.179 16.744 -3.777 1.00 . A A . 33 THR HA 1 1 27 32246 1 1 33 THR HB H 3.876 18.690 -2.499 1.00 . A A . 33 THR HB 1 1 27 32247 1 1 33 THR HG1 H 6.078 18.221 -2.424 1.00 . A A . 33 THR HG1 1 1 27 32248 1 1 33 THR HG21 H 4.685 16.786 -0.250 1.00 . A A . 33 THR HG21 1 1 27 32249 1 1 33 THR HG22 H 4.982 18.532 -0.313 1.00 . A A . 33 THR HG22 1 1 27 32250 1 1 33 THR HG23 H 3.325 17.927 -0.191 1.00 . A A . 33 THR HG23 1 1 27 32251 1 1 33 THR N N 1.911 16.872 -2.140 1.00 . A A . 33 THR N 1 1 27 32252 1 1 33 THR O O 3.203 14.755 -1.260 1.00 . A A . 33 THR O 1 1 27 32253 1 1 33 THR OG1 O 5.510 17.491 -2.681 1.00 . A A . 33 THR OG1 1 1 27 32254 1 1 34 PRO C C 5.521 12.744 -1.818 1.00 . A A . 34 PRO C 1 1 27 32255 1 1 34 PRO CA C 4.543 13.060 -2.949 1.00 . A A . 34 PRO CA 1 1 27 32256 1 1 34 PRO CB C 4.950 12.450 -4.286 1.00 . A A . 34 PRO CB 1 1 27 32257 1 1 34 PRO CD C 4.788 14.842 -4.510 1.00 . A A . 34 PRO CD 1 1 27 32258 1 1 34 PRO CG C 5.562 13.629 -5.029 1.00 . A A . 34 PRO CG 1 1 27 32259 1 1 34 PRO HA H 3.577 12.669 -2.680 1.00 . A A . 34 PRO HA 1 1 27 32260 1 1 34 PRO HB2 H 5.647 11.623 -4.161 1.00 . A A . 34 PRO HB2 1 1 27 32261 1 1 34 PRO HB3 H 4.061 12.108 -4.819 1.00 . A A . 34 PRO HB3 1 1 27 32262 1 1 34 PRO HD2 H 5.419 15.731 -4.521 1.00 . A A . 34 PRO HD2 1 1 27 32263 1 1 34 PRO HD3 H 3.910 14.998 -5.138 1.00 . A A . 34 PRO HD3 1 1 27 32264 1 1 34 PRO HG2 H 6.607 13.707 -4.738 1.00 . A A . 34 PRO HG2 1 1 27 32265 1 1 34 PRO HG3 H 5.465 13.506 -6.105 1.00 . A A . 34 PRO HG3 1 1 27 32266 1 1 34 PRO N N 4.361 14.479 -3.169 1.00 . A A . 34 PRO N 1 1 27 32267 1 1 34 PRO O O 5.170 11.955 -0.942 1.00 . A A . 34 PRO O 1 1 27 32268 1 1 35 ALA C C 7.864 12.262 0.134 1.00 . A A . 35 ALA C 1 1 27 32269 1 1 35 ALA CA C 7.821 13.374 -0.929 1.00 . A A . 35 ALA CA 1 1 27 32270 1 1 35 ALA CB C 7.851 14.767 -0.287 1.00 . A A . 35 ALA CB 1 1 27 32271 1 1 35 ALA H H 6.837 13.950 -2.686 1.00 . A A . 35 ALA H 1 1 27 32272 1 1 35 ALA HA H 8.740 13.275 -1.509 1.00 . A A . 35 ALA HA 1 1 27 32273 1 1 35 ALA HB1 H 8.743 14.874 0.332 1.00 . A A . 35 ALA HB1 1 1 27 32274 1 1 35 ALA HB2 H 7.872 15.534 -1.063 1.00 . A A . 35 ALA HB2 1 1 27 32275 1 1 35 ALA HB3 H 6.964 14.909 0.332 1.00 . A A . 35 ALA HB3 1 1 27 32276 1 1 35 ALA N N 6.717 13.341 -1.891 1.00 . A A . 35 ALA N 1 1 27 32277 1 1 35 ALA O O 8.056 12.561 1.310 1.00 . A A . 35 ALA O 1 1 27 32278 1 1 36 LYS C C 6.554 9.733 1.477 1.00 . A A . 36 LYS C 1 1 27 32279 1 1 36 LYS CA C 7.757 9.796 0.535 1.00 . A A . 36 LYS CA 1 1 27 32280 1 1 36 LYS CB C 9.057 9.602 1.329 1.00 . A A . 36 LYS CB 1 1 27 32281 1 1 36 LYS CD C 11.469 8.766 1.145 1.00 . A A . 36 LYS CD 1 1 27 32282 1 1 36 LYS CE C 11.181 7.391 1.773 1.00 . A A . 36 LYS CE 1 1 27 32283 1 1 36 LYS CG C 10.247 9.323 0.403 1.00 . A A . 36 LYS CG 1 1 27 32284 1 1 36 LYS H H 7.638 10.868 -1.284 1.00 . A A . 36 LYS H 1 1 27 32285 1 1 36 LYS HA H 7.662 8.961 -0.157 1.00 . A A . 36 LYS HA 1 1 27 32286 1 1 36 LYS HB2 H 9.273 10.475 1.945 1.00 . A A . 36 LYS HB2 1 1 27 32287 1 1 36 LYS HB3 H 8.895 8.767 2.007 1.00 . A A . 36 LYS HB3 1 1 27 32288 1 1 36 LYS HD2 H 12.291 8.707 0.427 1.00 . A A . 36 LYS HD2 1 1 27 32289 1 1 36 LYS HD3 H 11.755 9.477 1.924 1.00 . A A . 36 LYS HD3 1 1 27 32290 1 1 36 LYS HE2 H 11.345 7.437 2.848 1.00 . A A . 36 LYS HE2 1 1 27 32291 1 1 36 LYS HE3 H 10.144 7.103 1.608 1.00 . A A . 36 LYS HE3 1 1 27 32292 1 1 36 LYS HG2 H 9.978 8.628 -0.393 1.00 . A A . 36 LYS HG2 1 1 27 32293 1 1 36 LYS HG3 H 10.528 10.269 -0.055 1.00 . A A . 36 LYS HG3 1 1 27 32294 1 1 36 LYS HZ1 H 12.963 6.348 1.340 1.00 . A A . 36 LYS HZ1 1 1 27 32295 1 1 36 LYS HZ2 H 11.573 5.412 1.515 1.00 . A A . 36 LYS HZ2 1 1 27 32296 1 1 36 LYS HZ3 H 11.753 6.206 0.183 1.00 . A A . 36 LYS HZ3 1 1 27 32297 1 1 36 LYS N N 7.777 10.997 -0.296 1.00 . A A . 36 LYS N 1 1 27 32298 1 1 36 LYS NZ N 11.972 6.297 1.181 1.00 . A A . 36 LYS NZ 1 1 27 32299 1 1 36 LYS O O 6.140 10.732 2.055 1.00 . A A . 36 LYS O 1 1 27 32300 1 1 37 ILE C C 5.002 7.108 3.487 1.00 . A A . 37 ILE C 1 1 27 32301 1 1 37 ILE CA C 4.878 8.332 2.569 1.00 . A A . 37 ILE CA 1 1 27 32302 1 1 37 ILE CB C 3.536 8.428 1.810 1.00 . A A . 37 ILE CB 1 1 27 32303 1 1 37 ILE CD1 C 2.257 7.763 -0.283 1.00 . A A . 37 ILE CD1 1 1 27 32304 1 1 37 ILE CG1 C 3.598 7.734 0.444 1.00 . A A . 37 ILE CG1 1 1 27 32305 1 1 37 ILE CG2 C 3.117 9.899 1.648 1.00 . A A . 37 ILE CG2 1 1 27 32306 1 1 37 ILE H H 6.342 7.752 1.087 1.00 . A A . 37 ILE H 1 1 27 32307 1 1 37 ILE HA H 4.877 9.138 3.303 1.00 . A A . 37 ILE HA 1 1 27 32308 1 1 37 ILE HB H 2.767 7.925 2.396 1.00 . A A . 37 ILE HB 1 1 27 32309 1 1 37 ILE HD11 H 1.485 7.319 0.344 1.00 . A A . 37 ILE HD11 1 1 27 32310 1 1 37 ILE HD12 H 1.978 8.782 -0.542 1.00 . A A . 37 ILE HD12 1 1 27 32311 1 1 37 ILE HD13 H 2.351 7.200 -1.209 1.00 . A A . 37 ILE HD13 1 1 27 32312 1 1 37 ILE HG12 H 4.342 8.199 -0.198 1.00 . A A . 37 ILE HG12 1 1 27 32313 1 1 37 ILE HG13 H 3.867 6.698 0.610 1.00 . A A . 37 ILE HG13 1 1 27 32314 1 1 37 ILE HG21 H 3.186 10.422 2.602 1.00 . A A . 37 ILE HG21 1 1 27 32315 1 1 37 ILE HG22 H 3.757 10.398 0.922 1.00 . A A . 37 ILE HG22 1 1 27 32316 1 1 37 ILE HG23 H 2.082 9.966 1.316 1.00 . A A . 37 ILE HG23 1 1 27 32317 1 1 37 ILE N N 6.011 8.524 1.659 1.00 . A A . 37 ILE N 1 1 27 32318 1 1 37 ILE O O 4.092 6.865 4.271 1.00 . A A . 37 ILE O 1 1 27 32319 1 1 38 ALA C C 5.501 4.722 5.206 1.00 . A A . 38 ALA C 1 1 27 32320 1 1 38 ALA CA C 6.622 5.478 4.489 1.00 . A A . 38 ALA CA 1 1 27 32321 1 1 38 ALA CB C 7.472 6.246 5.505 1.00 . A A . 38 ALA CB 1 1 27 32322 1 1 38 ALA H H 6.815 6.654 2.748 1.00 . A A . 38 ALA H 1 1 27 32323 1 1 38 ALA HA H 7.266 4.740 4.009 1.00 . A A . 38 ALA HA 1 1 27 32324 1 1 38 ALA HB1 H 7.835 5.551 6.265 1.00 . A A . 38 ALA HB1 1 1 27 32325 1 1 38 ALA HB2 H 8.320 6.717 5.010 1.00 . A A . 38 ALA HB2 1 1 27 32326 1 1 38 ALA HB3 H 6.862 7.008 5.993 1.00 . A A . 38 ALA HB3 1 1 27 32327 1 1 38 ALA N N 6.146 6.406 3.454 1.00 . A A . 38 ALA N 1 1 27 32328 1 1 38 ALA O O 5.225 4.966 6.379 1.00 . A A . 38 ALA O 1 1 27 32329 1 1 39 ILE C C 4.023 2.006 5.886 1.00 . A A . 39 ILE C 1 1 27 32330 1 1 39 ILE CA C 3.641 3.179 4.989 1.00 . A A . 39 ILE CA 1 1 27 32331 1 1 39 ILE CB C 2.716 2.793 3.829 1.00 . A A . 39 ILE CB 1 1 27 32332 1 1 39 ILE CD1 C 1.325 4.003 2.027 1.00 . A A . 39 ILE CD1 1 1 27 32333 1 1 39 ILE CG1 C 2.571 4.015 2.903 1.00 . A A . 39 ILE CG1 1 1 27 32334 1 1 39 ILE CG2 C 1.373 2.347 4.413 1.00 . A A . 39 ILE CG2 1 1 27 32335 1 1 39 ILE H H 5.176 3.576 3.564 1.00 . A A . 39 ILE H 1 1 27 32336 1 1 39 ILE HA H 3.093 3.914 5.584 1.00 . A A . 39 ILE HA 1 1 27 32337 1 1 39 ILE HB H 3.148 1.963 3.272 1.00 . A A . 39 ILE HB 1 1 27 32338 1 1 39 ILE HD11 H 1.369 4.838 1.330 1.00 . A A . 39 ILE HD11 1 1 27 32339 1 1 39 ILE HD12 H 1.256 3.070 1.473 1.00 . A A . 39 ILE HD12 1 1 27 32340 1 1 39 ILE HD13 H 0.456 4.128 2.669 1.00 . A A . 39 ILE HD13 1 1 27 32341 1 1 39 ILE HG12 H 2.526 4.925 3.497 1.00 . A A . 39 ILE HG12 1 1 27 32342 1 1 39 ILE HG13 H 3.445 4.077 2.261 1.00 . A A . 39 ILE HG13 1 1 27 32343 1 1 39 ILE HG21 H 1.534 1.549 5.133 1.00 . A A . 39 ILE HG21 1 1 27 32344 1 1 39 ILE HG22 H 0.888 3.184 4.913 1.00 . A A . 39 ILE HG22 1 1 27 32345 1 1 39 ILE HG23 H 0.730 1.965 3.622 1.00 . A A . 39 ILE HG23 1 1 27 32346 1 1 39 ILE N N 4.846 3.812 4.491 1.00 . A A . 39 ILE N 1 1 27 32347 1 1 39 ILE O O 4.539 0.993 5.416 1.00 . A A . 39 ILE O 1 1 27 32348 1 1 40 ASP C C 2.834 0.462 8.638 1.00 . A A . 40 ASP C 1 1 27 32349 1 1 40 ASP CA C 4.081 1.238 8.247 1.00 . A A . 40 ASP CA 1 1 27 32350 1 1 40 ASP CB C 4.652 1.968 9.473 1.00 . A A . 40 ASP CB 1 1 27 32351 1 1 40 ASP CG C 4.085 3.347 9.778 1.00 . A A . 40 ASP CG 1 1 27 32352 1 1 40 ASP H H 3.221 2.989 7.433 1.00 . A A . 40 ASP H 1 1 27 32353 1 1 40 ASP HA H 4.839 0.531 7.908 1.00 . A A . 40 ASP HA 1 1 27 32354 1 1 40 ASP HB2 H 4.517 1.352 10.363 1.00 . A A . 40 ASP HB2 1 1 27 32355 1 1 40 ASP HB3 H 5.722 2.072 9.320 1.00 . A A . 40 ASP HB3 1 1 27 32356 1 1 40 ASP N N 3.765 2.174 7.179 1.00 . A A . 40 ASP N 1 1 27 32357 1 1 40 ASP O O 1.723 0.909 8.360 1.00 . A A . 40 ASP O 1 1 27 32358 1 1 40 ASP OD1 O 2.909 3.655 9.449 1.00 . A A . 40 ASP OD1 1 1 27 32359 1 1 40 ASP OD2 O 4.815 4.115 10.443 1.00 . A A . 40 ASP OD2 1 1 27 32360 1 1 41 LYS C C 0.788 -0.728 10.317 1.00 . A A . 41 LYS C 1 1 27 32361 1 1 41 LYS CA C 1.961 -1.560 9.804 1.00 . A A . 41 LYS CA 1 1 27 32362 1 1 41 LYS CB C 2.499 -2.463 10.922 1.00 . A A . 41 LYS CB 1 1 27 32363 1 1 41 LYS CD C 1.867 -4.190 12.675 1.00 . A A . 41 LYS CD 1 1 27 32364 1 1 41 LYS CE C 1.612 -3.279 13.888 1.00 . A A . 41 LYS CE 1 1 27 32365 1 1 41 LYS CG C 1.449 -3.491 11.374 1.00 . A A . 41 LYS CG 1 1 27 32366 1 1 41 LYS H H 3.990 -1.019 9.383 1.00 . A A . 41 LYS H 1 1 27 32367 1 1 41 LYS HA H 1.632 -2.204 8.990 1.00 . A A . 41 LYS HA 1 1 27 32368 1 1 41 LYS HB2 H 3.368 -3.009 10.559 1.00 . A A . 41 LYS HB2 1 1 27 32369 1 1 41 LYS HB3 H 2.823 -1.838 11.752 1.00 . A A . 41 LYS HB3 1 1 27 32370 1 1 41 LYS HD2 H 1.278 -5.104 12.769 1.00 . A A . 41 LYS HD2 1 1 27 32371 1 1 41 LYS HD3 H 2.923 -4.460 12.605 1.00 . A A . 41 LYS HD3 1 1 27 32372 1 1 41 LYS HE2 H 2.170 -2.349 13.784 1.00 . A A . 41 LYS HE2 1 1 27 32373 1 1 41 LYS HE3 H 0.548 -3.035 13.935 1.00 . A A . 41 LYS HE3 1 1 27 32374 1 1 41 LYS HG2 H 0.472 -3.031 11.516 1.00 . A A . 41 LYS HG2 1 1 27 32375 1 1 41 LYS HG3 H 1.346 -4.234 10.582 1.00 . A A . 41 LYS HG3 1 1 27 32376 1 1 41 LYS HZ1 H 3.004 -4.122 15.144 1.00 . A A . 41 LYS HZ1 1 1 27 32377 1 1 41 LYS HZ2 H 1.829 -3.283 15.927 1.00 . A A . 41 LYS HZ2 1 1 27 32378 1 1 41 LYS HZ3 H 1.496 -4.768 15.308 1.00 . A A . 41 LYS HZ3 1 1 27 32379 1 1 41 LYS N N 3.021 -0.685 9.306 1.00 . A A . 41 LYS N 1 1 27 32380 1 1 41 LYS NZ N 2.016 -3.915 15.159 1.00 . A A . 41 LYS NZ 1 1 27 32381 1 1 41 LYS O O -0.347 -0.948 9.919 1.00 . A A . 41 LYS O 1 1 27 32382 1 1 42 LYS C C -0.888 1.679 10.728 1.00 . A A . 42 LYS C 1 1 27 32383 1 1 42 LYS CA C 0.194 1.240 11.724 1.00 . A A . 42 LYS CA 1 1 27 32384 1 1 42 LYS CB C 1.092 2.421 12.109 1.00 . A A . 42 LYS CB 1 1 27 32385 1 1 42 LYS CD C 0.905 4.906 12.569 1.00 . A A . 42 LYS CD 1 1 27 32386 1 1 42 LYS CE C 2.438 5.051 12.628 1.00 . A A . 42 LYS CE 1 1 27 32387 1 1 42 LYS CG C 0.401 3.500 12.941 1.00 . A A . 42 LYS CG 1 1 27 32388 1 1 42 LYS H H 2.064 0.357 11.415 1.00 . A A . 42 LYS H 1 1 27 32389 1 1 42 LYS HA H -0.286 0.830 12.612 1.00 . A A . 42 LYS HA 1 1 27 32390 1 1 42 LYS HB2 H 1.947 2.048 12.676 1.00 . A A . 42 LYS HB2 1 1 27 32391 1 1 42 LYS HB3 H 1.462 2.862 11.188 1.00 . A A . 42 LYS HB3 1 1 27 32392 1 1 42 LYS HD2 H 0.547 5.123 11.560 1.00 . A A . 42 LYS HD2 1 1 27 32393 1 1 42 LYS HD3 H 0.448 5.633 13.244 1.00 . A A . 42 LYS HD3 1 1 27 32394 1 1 42 LYS HE2 H 2.723 5.718 13.444 1.00 . A A . 42 LYS HE2 1 1 27 32395 1 1 42 LYS HE3 H 2.911 4.088 12.821 1.00 . A A . 42 LYS HE3 1 1 27 32396 1 1 42 LYS HG2 H -0.674 3.464 12.764 1.00 . A A . 42 LYS HG2 1 1 27 32397 1 1 42 LYS HG3 H 0.585 3.281 13.993 1.00 . A A . 42 LYS HG3 1 1 27 32398 1 1 42 LYS HZ1 H 2.668 4.983 10.566 1.00 . A A . 42 LYS HZ1 1 1 27 32399 1 1 42 LYS HZ2 H 2.832 6.532 11.186 1.00 . A A . 42 LYS HZ2 1 1 27 32400 1 1 42 LYS HZ3 H 3.992 5.338 11.300 1.00 . A A . 42 LYS HZ3 1 1 27 32401 1 1 42 LYS N N 1.090 0.233 11.189 1.00 . A A . 42 LYS N 1 1 27 32402 1 1 42 LYS NZ N 2.991 5.553 11.354 1.00 . A A . 42 LYS NZ 1 1 27 32403 1 1 42 LYS O O -2.072 1.648 11.050 1.00 . A A . 42 LYS O 1 1 27 32404 1 1 43 SER C C -1.688 1.807 7.456 1.00 . A A . 43 SER C 1 1 27 32405 1 1 43 SER CA C -1.311 2.789 8.558 1.00 . A A . 43 SER CA 1 1 27 32406 1 1 43 SER CB C -0.531 3.983 8.001 1.00 . A A . 43 SER CB 1 1 27 32407 1 1 43 SER H H 0.514 2.032 9.302 1.00 . A A . 43 SER H 1 1 27 32408 1 1 43 SER HA H -2.247 3.125 9.006 1.00 . A A . 43 SER HA 1 1 27 32409 1 1 43 SER HB2 H -1.028 4.316 7.090 1.00 . A A . 43 SER HB2 1 1 27 32410 1 1 43 SER HB3 H -0.548 4.793 8.728 1.00 . A A . 43 SER HB3 1 1 27 32411 1 1 43 SER HG H 1.396 3.683 8.479 1.00 . A A . 43 SER HG 1 1 27 32412 1 1 43 SER N N -0.467 2.142 9.549 1.00 . A A . 43 SER N 1 1 27 32413 1 1 43 SER O O -2.836 1.733 7.016 1.00 . A A . 43 SER O 1 1 27 32414 1 1 43 SER OG O 0.816 3.632 7.697 1.00 . A A . 43 SER OG 1 1 27 32415 1 1 44 ALA C C -2.107 -0.933 6.583 1.00 . A A . 44 ALA C 1 1 27 32416 1 1 44 ALA CA C -0.878 -0.128 6.172 1.00 . A A . 44 ALA CA 1 1 27 32417 1 1 44 ALA CB C 0.354 -1.001 6.340 1.00 . A A . 44 ALA CB 1 1 27 32418 1 1 44 ALA H H 0.225 1.221 7.379 1.00 . A A . 44 ALA H 1 1 27 32419 1 1 44 ALA HA H -0.973 0.190 5.138 1.00 . A A . 44 ALA HA 1 1 27 32420 1 1 44 ALA HB1 H 0.182 -1.919 5.787 1.00 . A A . 44 ALA HB1 1 1 27 32421 1 1 44 ALA HB2 H 1.251 -0.479 6.003 1.00 . A A . 44 ALA HB2 1 1 27 32422 1 1 44 ALA HB3 H 0.481 -1.249 7.388 1.00 . A A . 44 ALA HB3 1 1 27 32423 1 1 44 ALA N N -0.703 1.035 7.012 1.00 . A A . 44 ALA N 1 1 27 32424 1 1 44 ALA O O -2.993 -1.221 5.773 1.00 . A A . 44 ALA O 1 1 27 32425 1 1 45 HIS C C -4.453 -1.298 8.782 1.00 . A A . 45 HIS C 1 1 27 32426 1 1 45 HIS CA C -3.206 -2.118 8.442 1.00 . A A . 45 HIS CA 1 1 27 32427 1 1 45 HIS CB C -2.686 -2.847 9.689 1.00 . A A . 45 HIS CB 1 1 27 32428 1 1 45 HIS CD2 C -0.812 -4.206 8.456 1.00 . A A . 45 HIS CD2 1 1 27 32429 1 1 45 HIS CE1 C -0.880 -5.967 9.761 1.00 . A A . 45 HIS CE1 1 1 27 32430 1 1 45 HIS CG C -1.679 -3.956 9.501 1.00 . A A . 45 HIS CG 1 1 27 32431 1 1 45 HIS H H -1.459 -0.912 8.499 1.00 . A A . 45 HIS H 1 1 27 32432 1 1 45 HIS HA H -3.500 -2.860 7.706 1.00 . A A . 45 HIS HA 1 1 27 32433 1 1 45 HIS HB2 H -2.336 -2.133 10.431 1.00 . A A . 45 HIS HB2 1 1 27 32434 1 1 45 HIS HB3 H -3.543 -3.353 10.138 1.00 . A A . 45 HIS HB3 1 1 27 32435 1 1 45 HIS HD1 H -2.204 -5.167 11.175 1.00 . A A . 45 HIS HD1 1 1 27 32436 1 1 45 HIS HD2 H -0.593 -3.566 7.616 1.00 . A A . 45 HIS HD2 1 1 27 32437 1 1 45 HIS HE1 H -0.694 -6.929 10.202 1.00 . A A . 45 HIS HE1 1 1 27 32438 1 1 45 HIS N N -2.166 -1.285 7.869 1.00 . A A . 45 HIS N 1 1 27 32439 1 1 45 HIS ND1 N -1.680 -5.056 10.318 1.00 . A A . 45 HIS ND1 1 1 27 32440 1 1 45 HIS NE2 N -0.358 -5.528 8.606 1.00 . A A . 45 HIS NE2 1 1 27 32441 1 1 45 HIS O O -5.036 -1.500 9.844 1.00 . A A . 45 HIS O 1 1 27 32442 1 1 46 LYS C C -5.659 1.818 8.050 1.00 . A A . 46 LYS C 1 1 27 32443 1 1 46 LYS CA C -6.085 0.374 7.857 1.00 . A A . 46 LYS CA 1 1 27 32444 1 1 46 LYS CB C -7.146 -0.059 8.886 1.00 . A A . 46 LYS CB 1 1 27 32445 1 1 46 LYS CD C -8.709 2.036 9.107 1.00 . A A . 46 LYS CD 1 1 27 32446 1 1 46 LYS CE C -8.424 2.318 10.597 1.00 . A A . 46 LYS CE 1 1 27 32447 1 1 46 LYS CG C -8.542 0.561 8.694 1.00 . A A . 46 LYS CG 1 1 27 32448 1 1 46 LYS H H -4.226 -0.255 7.095 1.00 . A A . 46 LYS H 1 1 27 32449 1 1 46 LYS HA H -6.529 0.245 6.871 1.00 . A A . 46 LYS HA 1 1 27 32450 1 1 46 LYS HB2 H -7.279 -1.135 8.781 1.00 . A A . 46 LYS HB2 1 1 27 32451 1 1 46 LYS HB3 H -6.796 0.159 9.894 1.00 . A A . 46 LYS HB3 1 1 27 32452 1 1 46 LYS HD2 H -8.118 2.689 8.466 1.00 . A A . 46 LYS HD2 1 1 27 32453 1 1 46 LYS HD3 H -9.754 2.292 8.917 1.00 . A A . 46 LYS HD3 1 1 27 32454 1 1 46 LYS HE2 H -9.280 2.853 11.014 1.00 . A A . 46 LYS HE2 1 1 27 32455 1 1 46 LYS HE3 H -8.308 1.385 11.151 1.00 . A A . 46 LYS HE3 1 1 27 32456 1 1 46 LYS HG2 H -8.833 0.449 7.648 1.00 . A A . 46 LYS HG2 1 1 27 32457 1 1 46 LYS HG3 H -9.244 -0.028 9.288 1.00 . A A . 46 LYS HG3 1 1 27 32458 1 1 46 LYS HZ1 H -7.330 4.044 10.270 1.00 . A A . 46 LYS HZ1 1 1 27 32459 1 1 46 LYS HZ2 H -7.053 3.404 11.756 1.00 . A A . 46 LYS HZ2 1 1 27 32460 1 1 46 LYS HZ3 H -6.393 2.749 10.401 1.00 . A A . 46 LYS HZ3 1 1 27 32461 1 1 46 LYS N N -4.875 -0.439 7.853 1.00 . A A . 46 LYS N 1 1 27 32462 1 1 46 LYS NZ N -7.233 3.172 10.793 1.00 . A A . 46 LYS NZ 1 1 27 32463 1 1 46 LYS O O -5.364 2.216 9.172 1.00 . A A . 46 LYS O 1 1 27 32464 1 1 47 ASP C C -5.035 4.186 5.333 1.00 . A A . 47 ASP C 1 1 27 32465 1 1 47 ASP CA C -5.627 3.985 6.714 1.00 . A A . 47 ASP CA 1 1 27 32466 1 1 47 ASP CB C -4.896 4.775 7.793 1.00 . A A . 47 ASP CB 1 1 27 32467 1 1 47 ASP CG C -5.746 5.014 9.034 1.00 . A A . 47 ASP CG 1 1 27 32468 1 1 47 ASP H H -5.911 2.083 6.092 1.00 . A A . 47 ASP H 1 1 27 32469 1 1 47 ASP HA H -6.641 4.326 6.597 1.00 . A A . 47 ASP HA 1 1 27 32470 1 1 47 ASP HB2 H -3.965 4.279 8.054 1.00 . A A . 47 ASP HB2 1 1 27 32471 1 1 47 ASP HB3 H -4.674 5.729 7.338 1.00 . A A . 47 ASP HB3 1 1 27 32472 1 1 47 ASP N N -5.681 2.558 6.942 1.00 . A A . 47 ASP N 1 1 27 32473 1 1 47 ASP O O -5.557 4.955 4.531 1.00 . A A . 47 ASP O 1 1 27 32474 1 1 47 ASP OD1 O -6.993 4.978 8.921 1.00 . A A . 47 ASP OD1 1 1 27 32475 1 1 47 ASP OD2 O -5.182 5.080 10.146 1.00 . A A . 47 ASP OD2 1 1 27 32476 1 1 48 ALA C C -4.057 1.960 3.083 1.00 . A A . 48 ALA C 1 1 27 32477 1 1 48 ALA CA C -3.495 3.246 3.693 1.00 . A A . 48 ALA CA 1 1 27 32478 1 1 48 ALA CB C -1.966 3.277 3.753 1.00 . A A . 48 ALA CB 1 1 27 32479 1 1 48 ALA H H -3.674 2.776 5.769 1.00 . A A . 48 ALA H 1 1 27 32480 1 1 48 ALA HA H -3.809 4.074 3.055 1.00 . A A . 48 ALA HA 1 1 27 32481 1 1 48 ALA HB1 H -1.557 3.028 2.773 1.00 . A A . 48 ALA HB1 1 1 27 32482 1 1 48 ALA HB2 H -1.643 4.280 4.033 1.00 . A A . 48 ALA HB2 1 1 27 32483 1 1 48 ALA HB3 H -1.596 2.576 4.502 1.00 . A A . 48 ALA HB3 1 1 27 32484 1 1 48 ALA N N -4.008 3.397 5.036 1.00 . A A . 48 ALA N 1 1 27 32485 1 1 48 ALA O O -5.186 1.927 2.589 1.00 . A A . 48 ALA O 1 1 27 32486 1 1 49 CYS C C -4.696 -0.937 2.383 1.00 . A A . 49 CYS C 1 1 27 32487 1 1 49 CYS CA C -3.363 -0.219 2.188 1.00 . A A . 49 CYS CA 1 1 27 32488 1 1 49 CYS CB C -2.207 -1.189 2.324 1.00 . A A . 49 CYS CB 1 1 27 32489 1 1 49 CYS H H -2.473 0.964 3.746 1.00 . A A . 49 CYS H 1 1 27 32490 1 1 49 CYS HA H -3.348 0.187 1.176 1.00 . A A . 49 CYS HA 1 1 27 32491 1 1 49 CYS HB2 H -2.347 -1.761 3.234 1.00 . A A . 49 CYS HB2 1 1 27 32492 1 1 49 CYS HB3 H -2.226 -1.898 1.496 1.00 . A A . 49 CYS HB3 1 1 27 32493 1 1 49 CYS N N -3.261 0.894 3.128 1.00 . A A . 49 CYS N 1 1 27 32494 1 1 49 CYS O O -5.535 -0.980 1.481 1.00 . A A . 49 CYS O 1 1 27 32495 1 1 49 CYS SG S -0.551 -0.446 2.501 1.00 . A A . 49 CYS SG 1 1 27 32496 1 1 50 LYS C C -7.371 -1.369 3.622 1.00 . A A . 50 LYS C 1 1 27 32497 1 1 50 LYS CA C -6.130 -2.234 3.854 1.00 . A A . 50 LYS CA 1 1 27 32498 1 1 50 LYS CB C -6.126 -2.866 5.256 1.00 . A A . 50 LYS CB 1 1 27 32499 1 1 50 LYS CD C -5.350 -4.839 6.647 1.00 . A A . 50 LYS CD 1 1 27 32500 1 1 50 LYS CE C -4.349 -5.998 6.818 1.00 . A A . 50 LYS CE 1 1 27 32501 1 1 50 LYS CG C -5.102 -4.007 5.378 1.00 . A A . 50 LYS CG 1 1 27 32502 1 1 50 LYS H H -4.215 -1.380 4.318 1.00 . A A . 50 LYS H 1 1 27 32503 1 1 50 LYS HA H -6.182 -3.047 3.129 1.00 . A A . 50 LYS HA 1 1 27 32504 1 1 50 LYS HB2 H -5.932 -2.103 6.008 1.00 . A A . 50 LYS HB2 1 1 27 32505 1 1 50 LYS HB3 H -7.120 -3.280 5.432 1.00 . A A . 50 LYS HB3 1 1 27 32506 1 1 50 LYS HD2 H -5.347 -4.196 7.528 1.00 . A A . 50 LYS HD2 1 1 27 32507 1 1 50 LYS HD3 H -6.348 -5.276 6.572 1.00 . A A . 50 LYS HD3 1 1 27 32508 1 1 50 LYS HE2 H -4.667 -6.604 7.669 1.00 . A A . 50 LYS HE2 1 1 27 32509 1 1 50 LYS HE3 H -4.367 -6.628 5.928 1.00 . A A . 50 LYS HE3 1 1 27 32510 1 1 50 LYS HG2 H -5.215 -4.666 4.517 1.00 . A A . 50 LYS HG2 1 1 27 32511 1 1 50 LYS HG3 H -4.102 -3.575 5.373 1.00 . A A . 50 LYS HG3 1 1 27 32512 1 1 50 LYS HZ1 H -2.582 -5.037 6.284 1.00 . A A . 50 LYS HZ1 1 1 27 32513 1 1 50 LYS HZ2 H -2.966 -4.920 7.873 1.00 . A A . 50 LYS HZ2 1 1 27 32514 1 1 50 LYS HZ3 H -2.318 -6.283 7.283 1.00 . A A . 50 LYS HZ3 1 1 27 32515 1 1 50 LYS N N -4.912 -1.487 3.586 1.00 . A A . 50 LYS N 1 1 27 32516 1 1 50 LYS NZ N -2.970 -5.532 7.073 1.00 . A A . 50 LYS NZ 1 1 27 32517 1 1 50 LYS O O -8.374 -1.898 3.159 1.00 . A A . 50 LYS O 1 1 27 32518 1 1 51 THR C C -8.795 0.941 2.249 1.00 . A A . 51 THR C 1 1 27 32519 1 1 51 THR CA C -8.488 0.797 3.732 1.00 . A A . 51 THR CA 1 1 27 32520 1 1 51 THR CB C -8.258 2.173 4.370 1.00 . A A . 51 THR CB 1 1 27 32521 1 1 51 THR CG2 C -9.482 3.086 4.234 1.00 . A A . 51 THR CG2 1 1 27 32522 1 1 51 THR H H -6.434 0.357 4.143 1.00 . A A . 51 THR H 1 1 27 32523 1 1 51 THR HA H -9.348 0.336 4.222 1.00 . A A . 51 THR HA 1 1 27 32524 1 1 51 THR HB H -7.400 2.669 3.913 1.00 . A A . 51 THR HB 1 1 27 32525 1 1 51 THR HG1 H -8.040 2.835 6.175 1.00 . A A . 51 THR HG1 1 1 27 32526 1 1 51 THR HG21 H -10.359 2.606 4.671 1.00 . A A . 51 THR HG21 1 1 27 32527 1 1 51 THR HG22 H -9.296 4.029 4.749 1.00 . A A . 51 THR HG22 1 1 27 32528 1 1 51 THR HG23 H -9.681 3.306 3.186 1.00 . A A . 51 THR HG23 1 1 27 32529 1 1 51 THR N N -7.323 -0.066 3.915 1.00 . A A . 51 THR N 1 1 27 32530 1 1 51 THR O O -9.914 0.698 1.809 1.00 . A A . 51 THR O 1 1 27 32531 1 1 51 THR OG1 O -8.011 1.977 5.740 1.00 . A A . 51 THR OG1 1 1 27 32532 1 1 52 CYS C C -8.386 0.398 -0.674 1.00 . A A . 52 CYS C 1 1 27 32533 1 1 52 CYS CA C -7.951 1.660 0.074 1.00 . A A . 52 CYS CA 1 1 27 32534 1 1 52 CYS CB C -6.646 2.219 -0.405 1.00 . A A . 52 CYS CB 1 1 27 32535 1 1 52 CYS H H -6.870 1.491 1.899 1.00 . A A . 52 CYS H 1 1 27 32536 1 1 52 CYS HA H -8.729 2.419 -0.030 1.00 . A A . 52 CYS HA 1 1 27 32537 1 1 52 CYS HB2 H -6.214 2.820 0.396 1.00 . A A . 52 CYS HB2 1 1 27 32538 1 1 52 CYS HB3 H -5.957 1.408 -0.631 1.00 . A A . 52 CYS HB3 1 1 27 32539 1 1 52 CYS N N -7.791 1.358 1.485 1.00 . A A . 52 CYS N 1 1 27 32540 1 1 52 CYS O O -9.280 0.425 -1.524 1.00 . A A . 52 CYS O 1 1 27 32541 1 1 52 CYS SG S -6.856 3.395 -1.764 1.00 . A A . 52 CYS SG 1 1 27 32542 1 1 53 HIS C C -9.722 -2.264 -0.360 1.00 . A A . 53 HIS C 1 1 27 32543 1 1 53 HIS CA C -8.263 -2.027 -0.786 1.00 . A A . 53 HIS CA 1 1 27 32544 1 1 53 HIS CB C -7.329 -3.141 -0.308 1.00 . A A . 53 HIS CB 1 1 27 32545 1 1 53 HIS CD2 C -5.432 -2.292 -1.863 1.00 . A A . 53 HIS CD2 1 1 27 32546 1 1 53 HIS CE1 C -3.998 -3.903 -1.570 1.00 . A A . 53 HIS CE1 1 1 27 32547 1 1 53 HIS CG C -5.966 -3.174 -0.957 1.00 . A A . 53 HIS CG 1 1 27 32548 1 1 53 HIS H H -7.022 -0.713 0.357 1.00 . A A . 53 HIS H 1 1 27 32549 1 1 53 HIS HA H -8.246 -2.023 -1.877 1.00 . A A . 53 HIS HA 1 1 27 32550 1 1 53 HIS HB2 H -7.207 -3.069 0.772 1.00 . A A . 53 HIS HB2 1 1 27 32551 1 1 53 HIS HB3 H -7.813 -4.086 -0.548 1.00 . A A . 53 HIS HB3 1 1 27 32552 1 1 53 HIS HD1 H -5.166 -5.022 -0.245 1.00 . A A . 53 HIS HD1 1 1 27 32553 1 1 53 HIS HD2 H -5.878 -1.396 -2.248 1.00 . A A . 53 HIS HD2 1 1 27 32554 1 1 53 HIS HE1 H -3.123 -4.517 -1.668 1.00 . A A . 53 HIS HE1 1 1 27 32555 1 1 53 HIS N N -7.792 -0.741 -0.308 1.00 . A A . 53 HIS N 1 1 27 32556 1 1 53 HIS ND1 N -5.054 -4.184 -0.788 1.00 . A A . 53 HIS ND1 1 1 27 32557 1 1 53 HIS NE2 N -4.177 -2.762 -2.250 1.00 . A A . 53 HIS NE2 1 1 27 32558 1 1 53 HIS O O -10.553 -2.546 -1.219 1.00 . A A . 53 HIS O 1 1 27 32559 1 1 54 LYS C C -12.344 -1.184 1.001 1.00 . A A . 54 LYS C 1 1 27 32560 1 1 54 LYS CA C -11.416 -2.316 1.467 1.00 . A A . 54 LYS CA 1 1 27 32561 1 1 54 LYS CB C -11.403 -2.398 2.998 1.00 . A A . 54 LYS CB 1 1 27 32562 1 1 54 LYS CD C -10.658 -3.604 5.026 1.00 . A A . 54 LYS CD 1 1 27 32563 1 1 54 LYS CE C -10.172 -4.903 5.684 1.00 . A A . 54 LYS CE 1 1 27 32564 1 1 54 LYS CG C -10.811 -3.717 3.505 1.00 . A A . 54 LYS CG 1 1 27 32565 1 1 54 LYS H H -9.342 -1.860 1.596 1.00 . A A . 54 LYS H 1 1 27 32566 1 1 54 LYS HA H -11.828 -3.259 1.106 1.00 . A A . 54 LYS HA 1 1 27 32567 1 1 54 LYS HB2 H -10.859 -1.542 3.397 1.00 . A A . 54 LYS HB2 1 1 27 32568 1 1 54 LYS HB3 H -12.430 -2.342 3.362 1.00 . A A . 54 LYS HB3 1 1 27 32569 1 1 54 LYS HD2 H -9.926 -2.818 5.223 1.00 . A A . 54 LYS HD2 1 1 27 32570 1 1 54 LYS HD3 H -11.607 -3.287 5.462 1.00 . A A . 54 LYS HD3 1 1 27 32571 1 1 54 LYS HE2 H -9.247 -5.227 5.205 1.00 . A A . 54 LYS HE2 1 1 27 32572 1 1 54 LYS HE3 H -9.960 -4.695 6.735 1.00 . A A . 54 LYS HE3 1 1 27 32573 1 1 54 LYS HG2 H -11.490 -4.523 3.226 1.00 . A A . 54 LYS HG2 1 1 27 32574 1 1 54 LYS HG3 H -9.839 -3.895 3.044 1.00 . A A . 54 LYS HG3 1 1 27 32575 1 1 54 LYS HZ1 H -11.354 -6.231 4.643 1.00 . A A . 54 LYS HZ1 1 1 27 32576 1 1 54 LYS HZ2 H -10.841 -6.799 6.096 1.00 . A A . 54 LYS HZ2 1 1 27 32577 1 1 54 LYS HZ3 H -12.045 -5.682 6.034 1.00 . A A . 54 LYS HZ3 1 1 27 32578 1 1 54 LYS N N -10.054 -2.158 0.937 1.00 . A A . 54 LYS N 1 1 27 32579 1 1 54 LYS NZ N -11.179 -5.981 5.606 1.00 . A A . 54 LYS NZ 1 1 27 32580 1 1 54 LYS O O -12.788 -0.349 1.784 1.00 . A A . 54 LYS O 1 1 27 32581 1 1 55 SER C C -13.437 -0.740 -2.495 1.00 . A A . 55 SER C 1 1 27 32582 1 1 55 SER CA C -13.422 -0.239 -1.050 1.00 . A A . 55 SER CA 1 1 27 32583 1 1 55 SER CB C -12.794 1.163 -0.954 1.00 . A A . 55 SER CB 1 1 27 32584 1 1 55 SER H H -12.260 -1.991 -0.800 1.00 . A A . 55 SER H 1 1 27 32585 1 1 55 SER HA H -14.442 -0.207 -0.662 1.00 . A A . 55 SER HA 1 1 27 32586 1 1 55 SER HB2 H -12.679 1.458 0.089 1.00 . A A . 55 SER HB2 1 1 27 32587 1 1 55 SER HB3 H -11.808 1.169 -1.423 1.00 . A A . 55 SER HB3 1 1 27 32588 1 1 55 SER HG H -13.789 1.873 -2.490 1.00 . A A . 55 SER HG 1 1 27 32589 1 1 55 SER N N -12.658 -1.214 -0.288 1.00 . A A . 55 SER N 1 1 27 32590 1 1 55 SER O O -14.479 -0.757 -3.142 1.00 . A A . 55 SER O 1 1 27 32591 1 1 55 SER OG O -13.626 2.124 -1.576 1.00 . A A . 55 SER OG 1 1 27 32592 1 1 56 ASN C C -12.449 -3.347 -4.036 1.00 . A A . 56 ASN C 1 1 27 32593 1 1 56 ASN CA C -12.120 -1.867 -4.250 1.00 . A A . 56 ASN CA 1 1 27 32594 1 1 56 ASN CB C -10.687 -1.671 -4.767 1.00 . A A . 56 ASN CB 1 1 27 32595 1 1 56 ASN CG C -10.416 -0.220 -5.160 1.00 . A A . 56 ASN CG 1 1 27 32596 1 1 56 ASN H H -11.452 -1.144 -2.379 1.00 . A A . 56 ASN H 1 1 27 32597 1 1 56 ASN HA H -12.814 -1.456 -4.986 1.00 . A A . 56 ASN HA 1 1 27 32598 1 1 56 ASN HB2 H -9.957 -1.986 -4.020 1.00 . A A . 56 ASN HB2 1 1 27 32599 1 1 56 ASN HB3 H -10.554 -2.291 -5.655 1.00 . A A . 56 ASN HB3 1 1 27 32600 1 1 56 ASN HD21 H -9.745 0.325 -3.276 1.00 . A A . 56 ASN HD21 1 1 27 32601 1 1 56 ASN HD22 H -9.765 1.567 -4.504 1.00 . A A . 56 ASN HD22 1 1 27 32602 1 1 56 ASN N N -12.269 -1.175 -2.980 1.00 . A A . 56 ASN N 1 1 27 32603 1 1 56 ASN ND2 N -9.929 0.609 -4.238 1.00 . A A . 56 ASN ND2 1 1 27 32604 1 1 56 ASN O O -13.435 -3.854 -4.562 1.00 . A A . 56 ASN O 1 1 27 32605 1 1 56 ASN OD1 O -10.619 0.157 -6.308 1.00 . A A . 56 ASN OD1 1 1 27 32606 1 1 57 ASN C C -10.500 -5.632 -1.884 1.00 . A A . 57 ASN C 1 1 27 32607 1 1 57 ASN CA C -11.736 -5.397 -2.756 1.00 . A A . 57 ASN CA 1 1 27 32608 1 1 57 ASN CB C -11.774 -6.407 -3.910 1.00 . A A . 57 ASN CB 1 1 27 32609 1 1 57 ASN CG C -11.940 -7.822 -3.367 1.00 . A A . 57 ASN CG 1 1 27 32610 1 1 57 ASN H H -10.859 -3.507 -2.803 1.00 . A A . 57 ASN H 1 1 27 32611 1 1 57 ASN HA H -12.643 -5.486 -2.156 1.00 . A A . 57 ASN HA 1 1 27 32612 1 1 57 ASN HB2 H -12.622 -6.206 -4.564 1.00 . A A . 57 ASN HB2 1 1 27 32613 1 1 57 ASN HB3 H -10.859 -6.335 -4.500 1.00 . A A . 57 ASN HB3 1 1 27 32614 1 1 57 ASN HD21 H -9.944 -8.225 -3.502 1.00 . A A . 57 ASN HD21 1 1 27 32615 1 1 57 ASN HD22 H -10.964 -9.507 -2.870 1.00 . A A . 57 ASN HD22 1 1 27 32616 1 1 57 ASN N N -11.623 -4.023 -3.234 1.00 . A A . 57 ASN N 1 1 27 32617 1 1 57 ASN ND2 N -10.849 -8.568 -3.220 1.00 . A A . 57 ASN ND2 1 1 27 32618 1 1 57 ASN O O -9.463 -5.028 -2.152 1.00 . A A . 57 ASN O 1 1 27 32619 1 1 57 ASN OD1 O -13.045 -8.240 -3.043 1.00 . A A . 57 ASN OD1 1 1 27 32620 1 1 58 GLY C C -9.475 -8.067 0.691 1.00 . A A . 58 GLY C 1 1 27 32621 1 1 58 GLY CA C -9.428 -6.685 0.037 1.00 . A A . 58 GLY CA 1 1 27 32622 1 1 58 GLY H H -11.413 -6.995 -0.652 1.00 . A A . 58 GLY H 1 1 27 32623 1 1 58 GLY HA2 H -8.515 -6.584 -0.549 1.00 . A A . 58 GLY HA2 1 1 27 32624 1 1 58 GLY HA3 H -9.430 -5.926 0.819 1.00 . A A . 58 GLY HA3 1 1 27 32625 1 1 58 GLY N N -10.572 -6.464 -0.839 1.00 . A A . 58 GLY N 1 1 27 32626 1 1 58 GLY O O -10.565 -8.550 0.991 1.00 . A A . 58 GLY O 1 1 27 32627 1 1 59 PRO C C -8.455 -9.925 3.048 1.00 . A A . 59 PRO C 1 1 27 32628 1 1 59 PRO CA C -8.214 -10.015 1.540 1.00 . A A . 59 PRO CA 1 1 27 32629 1 1 59 PRO CB C -6.789 -10.489 1.236 1.00 . A A . 59 PRO CB 1 1 27 32630 1 1 59 PRO CD C -6.988 -8.199 0.587 1.00 . A A . 59 PRO CD 1 1 27 32631 1 1 59 PRO CG C -6.000 -9.181 1.213 1.00 . A A . 59 PRO CG 1 1 27 32632 1 1 59 PRO HA H -8.940 -10.708 1.110 1.00 . A A . 59 PRO HA 1 1 27 32633 1 1 59 PRO HB2 H -6.400 -11.195 1.970 1.00 . A A . 59 PRO HB2 1 1 27 32634 1 1 59 PRO HB3 H -6.762 -10.937 0.240 1.00 . A A . 59 PRO HB3 1 1 27 32635 1 1 59 PRO HD2 H -6.820 -7.197 0.981 1.00 . A A . 59 PRO HD2 1 1 27 32636 1 1 59 PRO HD3 H -6.859 -8.207 -0.497 1.00 . A A . 59 PRO HD3 1 1 27 32637 1 1 59 PRO HG2 H -5.773 -8.873 2.236 1.00 . A A . 59 PRO HG2 1 1 27 32638 1 1 59 PRO HG3 H -5.085 -9.260 0.629 1.00 . A A . 59 PRO HG3 1 1 27 32639 1 1 59 PRO N N -8.312 -8.702 0.919 1.00 . A A . 59 PRO N 1 1 27 32640 1 1 59 PRO O O -8.398 -8.846 3.642 1.00 . A A . 59 PRO O 1 1 27 32641 1 1 60 THR C C -8.521 -12.432 5.700 1.00 . A A . 60 THR C 1 1 27 32642 1 1 60 THR CA C -9.142 -11.186 5.056 1.00 . A A . 60 THR CA 1 1 27 32643 1 1 60 THR CB C -10.681 -11.231 5.091 1.00 . A A . 60 THR CB 1 1 27 32644 1 1 60 THR CG2 C -11.299 -9.879 4.720 1.00 . A A . 60 THR CG2 1 1 27 32645 1 1 60 THR H H -8.822 -11.917 3.109 1.00 . A A . 60 THR H 1 1 27 32646 1 1 60 THR HA H -8.795 -10.327 5.632 1.00 . A A . 60 THR HA 1 1 27 32647 1 1 60 THR HB H -11.024 -11.490 6.095 1.00 . A A . 60 THR HB 1 1 27 32648 1 1 60 THR HG1 H -10.886 -13.062 4.454 1.00 . A A . 60 THR HG1 1 1 27 32649 1 1 60 THR HG21 H -10.888 -9.099 5.358 1.00 . A A . 60 THR HG21 1 1 27 32650 1 1 60 THR HG22 H -11.101 -9.640 3.675 1.00 . A A . 60 THR HG22 1 1 27 32651 1 1 60 THR HG23 H -12.379 -9.930 4.862 1.00 . A A . 60 THR HG23 1 1 27 32652 1 1 60 THR N N -8.726 -11.079 3.665 1.00 . A A . 60 THR N 1 1 27 32653 1 1 60 THR O O -9.153 -13.077 6.533 1.00 . A A . 60 THR O 1 1 27 32654 1 1 60 THR OG1 O -11.149 -12.186 4.160 1.00 . A A . 60 THR OG1 1 1 27 32655 1 1 61 LYS C C -5.095 -13.855 5.689 1.00 . A A . 61 LYS C 1 1 27 32656 1 1 61 LYS CA C -6.622 -13.991 5.804 1.00 . A A . 61 LYS CA 1 1 27 32657 1 1 61 LYS CB C -7.179 -15.219 5.051 1.00 . A A . 61 LYS CB 1 1 27 32658 1 1 61 LYS CD C -6.843 -16.792 7.002 1.00 . A A . 61 LYS CD 1 1 27 32659 1 1 61 LYS CE C -7.355 -18.059 7.703 1.00 . A A . 61 LYS CE 1 1 27 32660 1 1 61 LYS CG C -7.851 -16.229 5.986 1.00 . A A . 61 LYS CG 1 1 27 32661 1 1 61 LYS H H -6.837 -12.278 4.572 1.00 . A A . 61 LYS H 1 1 27 32662 1 1 61 LYS HA H -6.843 -14.061 6.869 1.00 . A A . 61 LYS HA 1 1 27 32663 1 1 61 LYS HB2 H -7.930 -14.900 4.328 1.00 . A A . 61 LYS HB2 1 1 27 32664 1 1 61 LYS HB3 H -6.397 -15.725 4.483 1.00 . A A . 61 LYS HB3 1 1 27 32665 1 1 61 LYS HD2 H -5.888 -16.983 6.508 1.00 . A A . 61 LYS HD2 1 1 27 32666 1 1 61 LYS HD3 H -6.665 -16.035 7.768 1.00 . A A . 61 LYS HD3 1 1 27 32667 1 1 61 LYS HE2 H -6.705 -18.268 8.556 1.00 . A A . 61 LYS HE2 1 1 27 32668 1 1 61 LYS HE3 H -8.365 -17.884 8.082 1.00 . A A . 61 LYS HE3 1 1 27 32669 1 1 61 LYS HG2 H -8.678 -15.738 6.505 1.00 . A A . 61 LYS HG2 1 1 27 32670 1 1 61 LYS HG3 H -8.260 -17.019 5.358 1.00 . A A . 61 LYS HG3 1 1 27 32671 1 1 61 LYS HZ1 H -7.960 -19.088 6.021 1.00 . A A . 61 LYS HZ1 1 1 27 32672 1 1 61 LYS HZ2 H -6.412 -19.414 6.477 1.00 . A A . 61 LYS HZ2 1 1 27 32673 1 1 61 LYS HZ3 H -7.670 -20.052 7.319 1.00 . A A . 61 LYS HZ3 1 1 27 32674 1 1 61 LYS N N -7.294 -12.794 5.306 1.00 . A A . 61 LYS N 1 1 27 32675 1 1 61 LYS NZ N -7.349 -19.238 6.813 1.00 . A A . 61 LYS NZ 1 1 27 32676 1 1 61 LYS O O -4.383 -14.842 5.519 1.00 . A A . 61 LYS O 1 1 27 32677 1 1 62 CYS C C -2.866 -12.661 4.044 1.00 . A A . 62 CYS C 1 1 27 32678 1 1 62 CYS CA C -3.247 -12.220 5.463 1.00 . A A . 62 CYS CA 1 1 27 32679 1 1 62 CYS CB C -2.245 -12.653 6.512 1.00 . A A . 62 CYS CB 1 1 27 32680 1 1 62 CYS H H -5.251 -11.879 6.013 1.00 . A A . 62 CYS H 1 1 27 32681 1 1 62 CYS HA H -3.267 -11.140 5.435 1.00 . A A . 62 CYS HA 1 1 27 32682 1 1 62 CYS HB2 H -1.992 -13.701 6.351 1.00 . A A . 62 CYS HB2 1 1 27 32683 1 1 62 CYS HB3 H -1.345 -12.045 6.396 1.00 . A A . 62 CYS HB3 1 1 27 32684 1 1 62 CYS N N -4.607 -12.617 5.792 1.00 . A A . 62 CYS N 1 1 27 32685 1 1 62 CYS O O -3.736 -12.839 3.196 1.00 . A A . 62 CYS O 1 1 27 32686 1 1 62 CYS SG S -2.824 -12.498 8.226 1.00 . A A . 62 CYS SG 1 1 27 32687 1 1 63 GLY C C -1.285 -12.575 1.288 1.00 . A A . 63 GLY C 1 1 27 32688 1 1 63 GLY CA C -1.019 -13.378 2.562 1.00 . A A . 63 GLY CA 1 1 27 32689 1 1 63 GLY H H -0.913 -12.531 4.505 1.00 . A A . 63 GLY H 1 1 27 32690 1 1 63 GLY HA2 H 0.061 -13.477 2.681 1.00 . A A . 63 GLY HA2 1 1 27 32691 1 1 63 GLY HA3 H -1.442 -14.376 2.444 1.00 . A A . 63 GLY HA3 1 1 27 32692 1 1 63 GLY N N -1.563 -12.771 3.773 1.00 . A A . 63 GLY N 1 1 27 32693 1 1 63 GLY O O -1.090 -13.083 0.188 1.00 . A A . 63 GLY O 1 1 27 32694 1 1 64 GLY C C -0.932 -9.611 -0.189 1.00 . A A . 64 GLY C 1 1 27 32695 1 1 64 GLY CA C -2.092 -10.472 0.306 1.00 . A A . 64 GLY CA 1 1 27 32696 1 1 64 GLY H H -1.917 -10.995 2.358 1.00 . A A . 64 GLY H 1 1 27 32697 1 1 64 GLY HA2 H -2.493 -11.063 -0.519 1.00 . A A . 64 GLY HA2 1 1 27 32698 1 1 64 GLY HA3 H -2.872 -9.798 0.656 1.00 . A A . 64 GLY HA3 1 1 27 32699 1 1 64 GLY N N -1.723 -11.320 1.427 1.00 . A A . 64 GLY N 1 1 27 32700 1 1 64 GLY O O -0.870 -9.272 -1.365 1.00 . A A . 64 GLY O 1 1 27 32701 1 1 65 CYS C C 2.272 -8.573 0.994 1.00 . A A . 65 CYS C 1 1 27 32702 1 1 65 CYS CA C 0.890 -8.105 0.549 1.00 . A A . 65 CYS CA 1 1 27 32703 1 1 65 CYS CB C 0.432 -6.918 1.363 1.00 . A A . 65 CYS CB 1 1 27 32704 1 1 65 CYS H H -0.151 -9.586 1.659 1.00 . A A . 65 CYS H 1 1 27 32705 1 1 65 CYS HA H 0.945 -7.814 -0.501 1.00 . A A . 65 CYS HA 1 1 27 32706 1 1 65 CYS HB2 H 0.584 -7.136 2.418 1.00 . A A . 65 CYS HB2 1 1 27 32707 1 1 65 CYS HB3 H 1.030 -6.046 1.105 1.00 . A A . 65 CYS HB3 1 1 27 32708 1 1 65 CYS N N -0.061 -9.198 0.737 1.00 . A A . 65 CYS N 1 1 27 32709 1 1 65 CYS O O 3.241 -8.527 0.240 1.00 . A A . 65 CYS O 1 1 27 32710 1 1 65 CYS SG S -1.338 -6.582 1.089 1.00 . A A . 65 CYS SG 1 1 27 32711 1 1 66 HIS C C 3.620 -11.068 1.830 1.00 . A A . 66 HIS C 1 1 27 32712 1 1 66 HIS CA C 3.462 -9.840 2.714 1.00 . A A . 66 HIS CA 1 1 27 32713 1 1 66 HIS CB C 3.171 -10.324 4.136 1.00 . A A . 66 HIS CB 1 1 27 32714 1 1 66 HIS CD2 C 1.806 -8.737 5.616 1.00 . A A . 66 HIS CD2 1 1 27 32715 1 1 66 HIS CE1 C 3.442 -7.571 6.474 1.00 . A A . 66 HIS CE1 1 1 27 32716 1 1 66 HIS CG C 2.987 -9.216 5.121 1.00 . A A . 66 HIS CG 1 1 27 32717 1 1 66 HIS H H 1.532 -8.999 2.826 1.00 . A A . 66 HIS H 1 1 27 32718 1 1 66 HIS HA H 4.368 -9.232 2.708 1.00 . A A . 66 HIS HA 1 1 27 32719 1 1 66 HIS HB2 H 2.298 -10.978 4.134 1.00 . A A . 66 HIS HB2 1 1 27 32720 1 1 66 HIS HB3 H 4.016 -10.934 4.454 1.00 . A A . 66 HIS HB3 1 1 27 32721 1 1 66 HIS HD1 H 4.996 -8.586 5.478 1.00 . A A . 66 HIS HD1 1 1 27 32722 1 1 66 HIS HD2 H 0.814 -9.087 5.422 1.00 . A A . 66 HIS HD2 1 1 27 32723 1 1 66 HIS HE1 H 3.993 -6.839 7.037 1.00 . A A . 66 HIS HE1 1 1 27 32724 1 1 66 HIS N N 2.341 -9.064 2.232 1.00 . A A . 66 HIS N 1 1 27 32725 1 1 66 HIS ND1 N 4.003 -8.498 5.686 1.00 . A A . 66 HIS ND1 1 1 27 32726 1 1 66 HIS NE2 N 2.105 -7.678 6.465 1.00 . A A . 66 HIS NE2 1 1 27 32727 1 1 66 HIS O O 2.698 -11.883 1.772 1.00 . A A . 66 HIS O 1 1 27 32728 1 1 67 ILE C C 5.501 -13.556 1.527 1.00 . A A . 67 ILE C 1 1 27 32729 1 1 67 ILE CA C 5.058 -12.502 0.497 1.00 . A A . 67 ILE CA 1 1 27 32730 1 1 67 ILE CB C 6.084 -12.253 -0.628 1.00 . A A . 67 ILE CB 1 1 27 32731 1 1 67 ILE CD1 C 4.393 -10.953 -2.097 1.00 . A A . 67 ILE CD1 1 1 27 32732 1 1 67 ILE CG1 C 5.785 -10.983 -1.454 1.00 . A A . 67 ILE CG1 1 1 27 32733 1 1 67 ILE CG2 C 6.159 -13.471 -1.562 1.00 . A A . 67 ILE CG2 1 1 27 32734 1 1 67 ILE H H 5.510 -10.552 1.276 1.00 . A A . 67 ILE H 1 1 27 32735 1 1 67 ILE HA H 4.142 -12.865 0.028 1.00 . A A . 67 ILE HA 1 1 27 32736 1 1 67 ILE HB H 7.069 -12.106 -0.179 1.00 . A A . 67 ILE HB 1 1 27 32737 1 1 67 ILE HD11 H 4.281 -10.021 -2.651 1.00 . A A . 67 ILE HD11 1 1 27 32738 1 1 67 ILE HD12 H 4.271 -11.784 -2.791 1.00 . A A . 67 ILE HD12 1 1 27 32739 1 1 67 ILE HD13 H 3.615 -10.996 -1.336 1.00 . A A . 67 ILE HD13 1 1 27 32740 1 1 67 ILE HG12 H 5.887 -10.099 -0.823 1.00 . A A . 67 ILE HG12 1 1 27 32741 1 1 67 ILE HG13 H 6.529 -10.899 -2.247 1.00 . A A . 67 ILE HG13 1 1 27 32742 1 1 67 ILE HG21 H 5.172 -13.712 -1.954 1.00 . A A . 67 ILE HG21 1 1 27 32743 1 1 67 ILE HG22 H 6.834 -13.261 -2.393 1.00 . A A . 67 ILE HG22 1 1 27 32744 1 1 67 ILE HG23 H 6.536 -14.343 -1.030 1.00 . A A . 67 ILE HG23 1 1 27 32745 1 1 67 ILE N N 4.783 -11.260 1.211 1.00 . A A . 67 ILE N 1 1 27 32746 1 1 67 ILE O O 6.595 -14.107 1.422 1.00 . A A . 67 ILE O 1 1 27 32747 1 1 68 LYS C C 3.915 -14.290 4.817 1.00 . A A . 68 LYS C 1 1 27 32748 1 1 68 LYS CA C 4.983 -14.567 3.754 1.00 . A A . 68 LYS CA 1 1 27 32749 1 1 68 LYS CB C 6.353 -14.167 4.331 1.00 . A A . 68 LYS CB 1 1 27 32750 1 1 68 LYS CD C 8.768 -14.553 4.597 1.00 . A A . 68 LYS CD 1 1 27 32751 1 1 68 LYS CE C 9.962 -15.506 4.502 1.00 . A A . 68 LYS CE 1 1 27 32752 1 1 68 LYS CG C 7.452 -15.221 4.177 1.00 . A A . 68 LYS CG 1 1 27 32753 1 1 68 LYS H H 3.780 -13.308 2.577 1.00 . A A . 68 LYS H 1 1 27 32754 1 1 68 LYS HA H 4.966 -15.631 3.514 1.00 . A A . 68 LYS HA 1 1 27 32755 1 1 68 LYS HB2 H 6.681 -13.240 3.865 1.00 . A A . 68 LYS HB2 1 1 27 32756 1 1 68 LYS HB3 H 6.249 -13.985 5.400 1.00 . A A . 68 LYS HB3 1 1 27 32757 1 1 68 LYS HD2 H 8.936 -13.703 3.932 1.00 . A A . 68 LYS HD2 1 1 27 32758 1 1 68 LYS HD3 H 8.660 -14.192 5.623 1.00 . A A . 68 LYS HD3 1 1 27 32759 1 1 68 LYS HE2 H 9.822 -16.327 5.208 1.00 . A A . 68 LYS HE2 1 1 27 32760 1 1 68 LYS HE3 H 10.013 -15.918 3.491 1.00 . A A . 68 LYS HE3 1 1 27 32761 1 1 68 LYS HG2 H 7.221 -16.072 4.821 1.00 . A A . 68 LYS HG2 1 1 27 32762 1 1 68 LYS HG3 H 7.511 -15.562 3.143 1.00 . A A . 68 LYS HG3 1 1 27 32763 1 1 68 LYS HZ1 H 11.379 -14.060 4.132 1.00 . A A . 68 LYS HZ1 1 1 27 32764 1 1 68 LYS HZ2 H 11.193 -14.405 5.732 1.00 . A A . 68 LYS HZ2 1 1 27 32765 1 1 68 LYS HZ3 H 12.003 -15.449 4.750 1.00 . A A . 68 LYS HZ3 1 1 27 32766 1 1 68 LYS N N 4.675 -13.789 2.556 1.00 . A A . 68 LYS N 1 1 27 32767 1 1 68 LYS NZ N 11.227 -14.802 4.802 1.00 . A A . 68 LYS NZ 1 1 27 32768 1 1 68 LYS O O 3.870 -15.042 5.814 1.00 . A A . 68 LYS O 1 1 27 32769 1 1 68 LYS OXT O 3.223 -13.251 4.740 1.00 . A A . 68 LYS OXT 1 1 27 32770 2 2 1 HEC C1A C 7.488 8.358 -3.898 1.00 . B A . 69 HEC C1A 1 1 27 32771 2 2 1 HEC C1B C 4.730 9.449 -6.969 1.00 . B A . 69 HEC C1B 1 1 27 32772 2 2 1 HEC C1C C 2.148 6.276 -5.805 1.00 . B A . 69 HEC C1C 1 1 27 32773 2 2 1 HEC C1D C 4.568 5.633 -2.353 1.00 . B A . 69 HEC C1D 1 1 27 32774 2 2 1 HEC C2A C 8.524 9.292 -4.287 1.00 . B A . 69 HEC C2A 1 1 27 32775 2 2 1 HEC C2B C 3.952 9.899 -8.097 1.00 . B A . 69 HEC C2B 1 1 27 32776 2 2 1 HEC C2C C 1.068 5.392 -5.437 1.00 . B A . 69 HEC C2C 1 1 27 32777 2 2 1 HEC C2D C 5.331 5.259 -1.181 1.00 . B A . 69 HEC C2D 1 1 27 32778 2 2 1 HEC C3A C 8.011 10.051 -5.310 1.00 . B A . 69 HEC C3A 1 1 27 32779 2 2 1 HEC C3B C 2.928 8.997 -8.268 1.00 . B A . 69 HEC C3B 1 1 27 32780 2 2 1 HEC C3C C 1.342 4.920 -4.172 1.00 . B A . 69 HEC C3C 1 1 27 32781 2 2 1 HEC C3D C 6.550 5.876 -1.268 1.00 . B A . 69 HEC C3D 1 1 27 32782 2 2 1 HEC C4A C 6.690 9.550 -5.592 1.00 . B A . 69 HEC C4A 1 1 27 32783 2 2 1 HEC C4B C 3.047 8.024 -7.196 1.00 . B A . 69 HEC C4B 1 1 27 32784 2 2 1 HEC C4C C 2.635 5.467 -3.798 1.00 . B A . 69 HEC C4C 1 1 27 32785 2 2 1 HEC C4D C 6.534 6.678 -2.465 1.00 . B A . 69 HEC C4D 1 1 27 32786 2 2 1 HEC CAA C 9.935 9.388 -3.749 1.00 . B A . 69 HEC CAA 1 1 27 32787 2 2 1 HEC CAB C 1.908 8.997 -9.395 1.00 . B A . 69 HEC CAB 1 1 27 32788 2 2 1 HEC CAC C 0.395 4.128 -3.276 1.00 . B A . 69 HEC CAC 1 1 27 32789 2 2 1 HEC CAD C 7.687 5.728 -0.282 1.00 . B A . 69 HEC CAD 1 1 27 32790 2 2 1 HEC CBA C 10.241 10.690 -2.999 1.00 . B A . 69 HEC CBA 1 1 27 32791 2 2 1 HEC CBB C 2.527 8.800 -10.781 1.00 . B A . 69 HEC CBB 1 1 27 32792 2 2 1 HEC CBC C -0.053 2.760 -3.811 1.00 . B A . 69 HEC CBC 1 1 27 32793 2 2 1 HEC CBD C 8.494 4.441 -0.482 1.00 . B A . 69 HEC CBD 1 1 27 32794 2 2 1 HEC CGA C 11.704 10.742 -2.545 1.00 . B A . 69 HEC CGA 1 1 27 32795 2 2 1 HEC CGD C 9.928 4.652 -0.004 1.00 . B A . 69 HEC CGD 1 1 27 32796 2 2 1 HEC CHA C 7.572 7.498 -2.825 1.00 . B A . 69 HEC CHA 1 1 27 32797 2 2 1 HEC CHB C 5.896 10.062 -6.584 1.00 . B A . 69 HEC CHB 1 1 27 32798 2 2 1 HEC CHC C 2.148 7.000 -6.971 1.00 . B A . 69 HEC CHC 1 1 27 32799 2 2 1 HEC CHD C 3.304 5.153 -2.629 1.00 . B A . 69 HEC CHD 1 1 27 32800 2 2 1 HEC CMA C 8.726 11.147 -6.070 1.00 . B A . 69 HEC CMA 1 1 27 32801 2 2 1 HEC CMB C 4.262 11.111 -8.946 1.00 . B A . 69 HEC CMB 1 1 27 32802 2 2 1 HEC CMC C -0.177 5.150 -6.265 1.00 . B A . 69 HEC CMC 1 1 27 32803 2 2 1 HEC CMD C 4.921 4.351 -0.053 1.00 . B A . 69 HEC CMD 1 1 27 32804 2 2 1 HEC FE FE 4.771 7.396 -4.797 1.00 . B A . 69 HEC FE 1 1 27 32805 2 2 1 HEC HAA1 H 10.158 8.553 -3.085 1.00 . B A . 69 HEC HAA1 1 1 27 32806 2 2 1 HEC HAA2 H 10.631 9.314 -4.583 1.00 . B A . 69 HEC HAA2 1 1 27 32807 2 2 1 HEC HAB H 1.239 8.161 -9.250 1.00 . B A . 69 HEC HAB 1 1 27 32808 2 2 1 HEC HAC H 0.862 3.941 -2.314 1.00 . B A . 69 HEC HAC 1 1 27 32809 2 2 1 HEC HAD1 H 8.374 6.565 -0.351 1.00 . B A . 69 HEC HAD1 1 1 27 32810 2 2 1 HEC HAD2 H 7.307 5.745 0.729 1.00 . B A . 69 HEC HAD2 1 1 27 32811 2 2 1 HEC HBA1 H 10.023 11.547 -3.635 1.00 . B A . 69 HEC HBA1 1 1 27 32812 2 2 1 HEC HBA2 H 9.591 10.747 -2.131 1.00 . B A . 69 HEC HBA2 1 1 27 32813 2 2 1 HEC HBB1 H 3.104 9.672 -11.080 1.00 . B A . 69 HEC HBB1 1 1 27 32814 2 2 1 HEC HBB2 H 3.175 7.924 -10.785 1.00 . B A . 69 HEC HBB2 1 1 27 32815 2 2 1 HEC HBB3 H 1.716 8.656 -11.499 1.00 . B A . 69 HEC HBB3 1 1 27 32816 2 2 1 HEC HBC1 H -0.876 2.862 -4.515 1.00 . B A . 69 HEC HBC1 1 1 27 32817 2 2 1 HEC HBC2 H 0.779 2.238 -4.286 1.00 . B A . 69 HEC HBC2 1 1 27 32818 2 2 1 HEC HBC3 H -0.421 2.150 -2.984 1.00 . B A . 69 HEC HBC3 1 1 27 32819 2 2 1 HEC HBD1 H 8.021 3.619 0.058 1.00 . B A . 69 HEC HBD1 1 1 27 32820 2 2 1 HEC HBD2 H 8.516 4.197 -1.544 1.00 . B A . 69 HEC HBD2 1 1 27 32821 2 2 1 HEC HHA H 8.431 7.507 -2.184 1.00 . B A . 69 HEC HHA 1 1 27 32822 2 2 1 HEC HHB H 6.225 10.933 -7.116 1.00 . B A . 69 HEC HHB 1 1 27 32823 2 2 1 HEC HHC H 1.352 6.815 -7.661 1.00 . B A . 69 HEC HHC 1 1 27 32824 2 2 1 HEC HHD H 2.842 4.471 -1.943 1.00 . B A . 69 HEC HHD 1 1 27 32825 2 2 1 HEC HMA1 H 8.319 12.114 -5.780 1.00 . B A . 69 HEC HMA1 1 1 27 32826 2 2 1 HEC HMA2 H 9.794 11.131 -5.857 1.00 . B A . 69 HEC HMA2 1 1 27 32827 2 2 1 HEC HMA3 H 8.594 10.997 -7.141 1.00 . B A . 69 HEC HMA3 1 1 27 32828 2 2 1 HEC HMB1 H 3.419 11.367 -9.582 1.00 . B A . 69 HEC HMB1 1 1 27 32829 2 2 1 HEC HMB2 H 4.461 11.965 -8.299 1.00 . B A . 69 HEC HMB2 1 1 27 32830 2 2 1 HEC HMB3 H 5.133 10.906 -9.568 1.00 . B A . 69 HEC HMB3 1 1 27 32831 2 2 1 HEC HMC1 H -0.584 6.100 -6.604 1.00 . B A . 69 HEC HMC1 1 1 27 32832 2 2 1 HEC HMC2 H 0.087 4.537 -7.126 1.00 . B A . 69 HEC HMC2 1 1 27 32833 2 2 1 HEC HMC3 H -0.953 4.652 -5.694 1.00 . B A . 69 HEC HMC3 1 1 27 32834 2 2 1 HEC HMD1 H 5.506 3.443 -0.135 1.00 . B A . 69 HEC HMD1 1 1 27 32835 2 2 1 HEC HMD2 H 5.166 4.826 0.896 1.00 . B A . 69 HEC HMD2 1 1 27 32836 2 2 1 HEC HMD3 H 3.860 4.119 -0.071 1.00 . B A . 69 HEC HMD3 1 1 27 32837 2 2 1 HEC NA N 6.435 8.522 -4.750 1.00 . B A . 69 HEC NA 1 1 27 32838 2 2 1 HEC NB N 4.137 8.352 -6.441 1.00 . B A . 69 HEC NB 1 1 27 32839 2 2 1 HEC NC N 3.054 6.299 -4.800 1.00 . B A . 69 HEC NC 1 1 27 32840 2 2 1 HEC ND N 5.334 6.503 -3.077 1.00 . B A . 69 HEC ND 1 1 27 32841 2 2 1 HEC O1A O 12.354 11.773 -2.819 1.00 . B A . 69 HEC O1A 1 1 27 32842 2 2 1 HEC O1D O 10.722 5.256 -0.762 1.00 . B A . 69 HEC O1D 1 1 27 32843 2 2 1 HEC O2A O 12.140 9.746 -1.925 1.00 . B A . 69 HEC O2A 1 1 27 32844 2 2 1 HEC O2D O 10.231 4.403 1.186 1.00 . B A . 69 HEC O2D 1 1 27 32845 3 2 1 HEC C1A C -2.570 -4.630 -4.952 1.00 . C A . 70 HEC C1A 1 1 27 32846 3 2 1 HEC C1B C -0.721 -2.686 -1.642 1.00 . C A . 70 HEC C1B 1 1 27 32847 3 2 1 HEC C1C C -3.256 0.711 -2.219 1.00 . C A . 70 HEC C1C 1 1 27 32848 3 2 1 HEC C1D C -5.315 -1.366 -5.298 1.00 . C A . 70 HEC C1D 1 1 27 32849 3 2 1 HEC C2A C -1.800 -5.850 -4.883 1.00 . C A . 70 HEC C2A 1 1 27 32850 3 2 1 HEC C2B C -0.078 -2.192 -0.452 1.00 . C A . 70 HEC C2B 1 1 27 32851 3 2 1 HEC C2C C -4.030 1.925 -2.294 1.00 . C A . 70 HEC C2C 1 1 27 32852 3 2 1 HEC C2D C -6.097 -1.935 -6.367 1.00 . C A . 70 HEC C2D 1 1 27 32853 3 2 1 HEC C3A C -0.871 -5.689 -3.883 1.00 . C A . 70 HEC C3A 1 1 27 32854 3 2 1 HEC C3B C -0.509 -0.902 -0.255 1.00 . C A . 70 HEC C3B 1 1 27 32855 3 2 1 HEC C3C C -5.100 1.664 -3.121 1.00 . C A . 70 HEC C3C 1 1 27 32856 3 2 1 HEC C3D C -5.423 -3.046 -6.808 1.00 . C A . 70 HEC C3D 1 1 27 32857 3 2 1 HEC C4A C -1.134 -4.414 -3.261 1.00 . C A . 70 HEC C4A 1 1 27 32858 3 2 1 HEC C4B C -1.514 -0.641 -1.264 1.00 . C A . 70 HEC C4B 1 1 27 32859 3 2 1 HEC C4C C -4.814 0.395 -3.753 1.00 . C A . 70 HEC C4C 1 1 27 32860 3 2 1 HEC C4D C -4.370 -3.301 -5.849 1.00 . C A . 70 HEC C4D 1 1 27 32861 3 2 1 HEC CAA C -2.077 -7.123 -5.651 1.00 . C A . 70 HEC CAA 1 1 27 32862 3 2 1 HEC CAB C -0.029 0.052 0.828 1.00 . C A . 70 HEC CAB 1 1 27 32863 3 2 1 HEC CAC C -6.422 2.417 -3.227 1.00 . C A . 70 HEC CAC 1 1 27 32864 3 2 1 HEC CAD C -5.630 -3.746 -8.138 1.00 . C A . 70 HEC CAD 1 1 27 32865 3 2 1 HEC CBA C -1.519 -7.143 -7.079 1.00 . C A . 70 HEC CBA 1 1 27 32866 3 2 1 HEC CBB C 1.495 0.244 0.803 1.00 . C A . 70 HEC CBB 1 1 27 32867 3 2 1 HEC CBC C -6.480 3.389 -4.400 1.00 . C A . 70 HEC CBC 1 1 27 32868 3 2 1 HEC CBD C -6.002 -2.786 -9.285 1.00 . C A . 70 HEC CBD 1 1 27 32869 3 2 1 HEC CGA C -2.003 -8.387 -7.834 1.00 . C A . 70 HEC CGA 1 1 27 32870 3 2 1 HEC CGD C -5.426 -3.201 -10.640 1.00 . C A . 70 HEC CGD 1 1 27 32871 3 2 1 HEC CHA C -3.570 -4.419 -5.871 1.00 . C A . 70 HEC CHA 1 1 27 32872 3 2 1 HEC CHB C -0.468 -3.939 -2.153 1.00 . C A . 70 HEC CHB 1 1 27 32873 3 2 1 HEC CHC C -2.224 0.536 -1.335 1.00 . C A . 70 HEC CHC 1 1 27 32874 3 2 1 HEC CHD C -5.613 -0.159 -4.717 1.00 . C A . 70 HEC CHD 1 1 27 32875 3 2 1 HEC CMA C 0.225 -6.660 -3.520 1.00 . C A . 70 HEC CMA 1 1 27 32876 3 2 1 HEC CMB C 0.745 -3.030 0.494 1.00 . C A . 70 HEC CMB 1 1 27 32877 3 2 1 HEC CMC C -3.709 3.216 -1.576 1.00 . C A . 70 HEC CMC 1 1 27 32878 3 2 1 HEC CMD C -7.411 -1.417 -6.903 1.00 . C A . 70 HEC CMD 1 1 27 32879 3 2 1 HEC FE FE -2.901 -1.989 -3.542 1.00 . C A . 70 HEC FE 1 1 27 32880 3 2 1 HEC HAA1 H -1.671 -7.982 -5.117 1.00 . C A . 70 HEC HAA1 1 1 27 32881 3 2 1 HEC HAA2 H -3.157 -7.266 -5.711 1.00 . C A . 70 HEC HAA2 1 1 27 32882 3 2 1 HEC HAB H -0.443 1.043 0.672 1.00 . C A . 70 HEC HAB 1 1 27 32883 3 2 1 HEC HAC H -7.219 1.685 -3.359 1.00 . C A . 70 HEC HAC 1 1 27 32884 3 2 1 HEC HAD1 H -4.687 -4.217 -8.416 1.00 . C A . 70 HEC HAD1 1 1 27 32885 3 2 1 HEC HAD2 H -6.387 -4.523 -8.046 1.00 . C A . 70 HEC HAD2 1 1 27 32886 3 2 1 HEC HBA1 H -1.856 -6.254 -7.612 1.00 . C A . 70 HEC HBA1 1 1 27 32887 3 2 1 HEC HBA2 H -0.428 -7.126 -7.031 1.00 . C A . 70 HEC HBA2 1 1 27 32888 3 2 1 HEC HBB1 H 2.024 -0.704 0.879 1.00 . C A . 70 HEC HBB1 1 1 27 32889 3 2 1 HEC HBB2 H 1.789 0.725 -0.131 1.00 . C A . 70 HEC HBB2 1 1 27 32890 3 2 1 HEC HBB3 H 1.804 0.871 1.636 1.00 . C A . 70 HEC HBB3 1 1 27 32891 3 2 1 HEC HBC1 H -5.644 4.083 -4.325 1.00 . C A . 70 HEC HBC1 1 1 27 32892 3 2 1 HEC HBC2 H -6.423 2.833 -5.328 1.00 . C A . 70 HEC HBC2 1 1 27 32893 3 2 1 HEC HBC3 H -7.414 3.952 -4.383 1.00 . C A . 70 HEC HBC3 1 1 27 32894 3 2 1 HEC HBD1 H -7.087 -2.705 -9.354 1.00 . C A . 70 HEC HBD1 1 1 27 32895 3 2 1 HEC HBD2 H -5.589 -1.798 -9.076 1.00 . C A . 70 HEC HBD2 1 1 27 32896 3 2 1 HEC HHA H -3.747 -5.178 -6.614 1.00 . C A . 70 HEC HHA 1 1 27 32897 3 2 1 HEC HHB H 0.279 -4.552 -1.674 1.00 . C A . 70 HEC HHB 1 1 27 32898 3 2 1 HEC HHC H -2.036 1.316 -0.621 1.00 . C A . 70 HEC HHC 1 1 27 32899 3 2 1 HEC HHD H -6.449 0.406 -5.081 1.00 . C A . 70 HEC HHD 1 1 27 32900 3 2 1 HEC HMA1 H 0.456 -7.292 -4.377 1.00 . C A . 70 HEC HMA1 1 1 27 32901 3 2 1 HEC HMA2 H 1.131 -6.123 -3.239 1.00 . C A . 70 HEC HMA2 1 1 27 32902 3 2 1 HEC HMA3 H -0.108 -7.284 -2.692 1.00 . C A . 70 HEC HMA3 1 1 27 32903 3 2 1 HEC HMB1 H 0.809 -2.539 1.458 1.00 . C A . 70 HEC HMB1 1 1 27 32904 3 2 1 HEC HMB2 H 0.237 -3.981 0.629 1.00 . C A . 70 HEC HMB2 1 1 27 32905 3 2 1 HEC HMB3 H 1.743 -3.200 0.102 1.00 . C A . 70 HEC HMB3 1 1 27 32906 3 2 1 HEC HMC1 H -2.632 3.361 -1.558 1.00 . C A . 70 HEC HMC1 1 1 27 32907 3 2 1 HEC HMC2 H -4.155 4.062 -2.100 1.00 . C A . 70 HEC HMC2 1 1 27 32908 3 2 1 HEC HMC3 H -4.073 3.189 -0.552 1.00 . C A . 70 HEC HMC3 1 1 27 32909 3 2 1 HEC HMD1 H -8.018 -2.255 -7.245 1.00 . C A . 70 HEC HMD1 1 1 27 32910 3 2 1 HEC HMD2 H -7.958 -0.897 -6.121 1.00 . C A . 70 HEC HMD2 1 1 27 32911 3 2 1 HEC HMD3 H -7.236 -0.739 -7.736 1.00 . C A . 70 HEC HMD3 1 1 27 32912 3 2 1 HEC NA N -2.156 -3.816 -3.933 1.00 . C A . 70 HEC NA 1 1 27 32913 3 2 1 HEC NB N -1.610 -1.748 -2.062 1.00 . C A . 70 HEC NB 1 1 27 32914 3 2 1 HEC NC N -3.722 -0.152 -3.151 1.00 . C A . 70 HEC NC 1 1 27 32915 3 2 1 HEC ND N -4.315 -2.236 -4.994 1.00 . C A . 70 HEC ND 1 1 27 32916 3 2 1 HEC O1A O -1.141 -9.189 -8.256 1.00 . C A . 70 HEC O1A 1 1 27 32917 3 2 1 HEC O1D O -6.167 -3.246 -11.651 1.00 . C A . 70 HEC O1D 1 1 27 32918 3 2 1 HEC O2A O -3.242 -8.529 -7.946 1.00 . C A . 70 HEC O2A 1 1 27 32919 3 2 1 HEC O2D O -4.193 -3.398 -10.738 1.00 . C A . 70 HEC O2D 1 1 27 32920 4 2 1 HEC C1A C 3.130 -5.736 9.215 1.00 . D A . 71 HEC C1A 1 1 27 32921 4 2 1 HEC C1B C 0.369 -9.024 9.256 1.00 . D A . 71 HEC C1B 1 1 27 32922 4 2 1 HEC C1C C -1.369 -7.613 5.622 1.00 . D A . 71 HEC C1C 1 1 27 32923 4 2 1 HEC C1D C 1.446 -4.419 5.495 1.00 . D A . 71 HEC C1D 1 1 27 32924 4 2 1 HEC C2A C 3.869 -6.133 10.397 1.00 . D A . 71 HEC C2A 1 1 27 32925 4 2 1 HEC C2B C -0.529 -10.140 9.435 1.00 . D A . 71 HEC C2B 1 1 27 32926 4 2 1 HEC C2C C -1.975 -7.369 4.340 1.00 . D A . 71 HEC C2C 1 1 27 32927 4 2 1 HEC C2D C 2.356 -3.323 5.262 1.00 . D A . 71 HEC C2D 1 1 27 32928 4 2 1 HEC C3A C 3.243 -7.250 10.900 1.00 . D A . 71 HEC C3A 1 1 27 32929 4 2 1 HEC C3B C -1.499 -10.042 8.463 1.00 . D A . 71 HEC C3B 1 1 27 32930 4 2 1 HEC C3C C -1.408 -6.219 3.836 1.00 . D A . 71 HEC C3C 1 1 27 32931 4 2 1 HEC C3D C 3.230 -3.286 6.325 1.00 . D A . 71 HEC C3D 1 1 27 32932 4 2 1 HEC C4A C 2.188 -7.605 9.980 1.00 . D A . 71 HEC C4A 1 1 27 32933 4 2 1 HEC C4B C -1.087 -8.965 7.588 1.00 . D A . 71 HEC C4B 1 1 27 32934 4 2 1 HEC C4C C -0.384 -5.820 4.788 1.00 . D A . 71 HEC C4C 1 1 27 32935 4 2 1 HEC C4D C 2.819 -4.336 7.242 1.00 . D A . 71 HEC C4D 1 1 27 32936 4 2 1 HEC CAA C 5.138 -5.487 10.931 1.00 . D A . 71 HEC CAA 1 1 27 32937 4 2 1 HEC CAB C -2.876 -10.701 8.467 1.00 . D A . 71 HEC CAB 1 1 27 32938 4 2 1 HEC CAC C -1.741 -5.534 2.513 1.00 . D A . 71 HEC CAC 1 1 27 32939 4 2 1 HEC CAD C 4.401 -2.324 6.457 1.00 . D A . 71 HEC CAD 1 1 27 32940 4 2 1 HEC CBA C 6.434 -5.997 10.275 1.00 . D A . 71 HEC CBA 1 1 27 32941 4 2 1 HEC CBB C -3.664 -10.419 9.750 1.00 . D A . 71 HEC CBB 1 1 27 32942 4 2 1 HEC CBC C -3.189 -5.055 2.384 1.00 . D A . 71 HEC CBC 1 1 27 32943 4 2 1 HEC CBD C 5.758 -2.904 6.900 1.00 . D A . 71 HEC CBD 1 1 27 32944 4 2 1 HEC CGA C 7.045 -7.253 10.918 1.00 . D A . 71 HEC CGA 1 1 27 32945 4 2 1 HEC CGD C 6.218 -2.458 8.300 1.00 . D A . 71 HEC CGD 1 1 27 32946 4 2 1 HEC CHA C 3.456 -4.654 8.424 1.00 . D A . 71 HEC CHA 1 1 27 32947 4 2 1 HEC CHB C 1.390 -8.723 10.132 1.00 . D A . 71 HEC CHB 1 1 27 32948 4 2 1 HEC CHC C -1.745 -8.643 6.426 1.00 . D A . 71 HEC CHC 1 1 27 32949 4 2 1 HEC CHD C 0.460 -4.759 4.596 1.00 . D A . 71 HEC CHD 1 1 27 32950 4 2 1 HEC CMA C 3.598 -8.001 12.163 1.00 . D A . 71 HEC CMA 1 1 27 32951 4 2 1 HEC CMB C -0.437 -11.173 10.535 1.00 . D A . 71 HEC CMB 1 1 27 32952 4 2 1 HEC CMC C -2.973 -8.297 3.682 1.00 . D A . 71 HEC CMC 1 1 27 32953 4 2 1 HEC CMD C 2.323 -2.399 4.053 1.00 . D A . 71 HEC CMD 1 1 27 32954 4 2 1 HEC FE FE 0.865 -6.633 7.518 1.00 . D A . 71 HEC FE 1 1 27 32955 4 2 1 HEC HAA1 H 5.102 -4.416 10.745 1.00 . D A . 71 HEC HAA1 1 1 27 32956 4 2 1 HEC HAA2 H 5.223 -5.609 12.009 1.00 . D A . 71 HEC HAA2 1 1 27 32957 4 2 1 HEC HAB H -3.495 -10.291 7.674 1.00 . D A . 71 HEC HAB 1 1 27 32958 4 2 1 HEC HAC H -1.149 -4.634 2.393 1.00 . D A . 71 HEC HAC 1 1 27 32959 4 2 1 HEC HAD1 H 4.608 -1.865 5.495 1.00 . D A . 71 HEC HAD1 1 1 27 32960 4 2 1 HEC HAD2 H 4.104 -1.510 7.105 1.00 . D A . 71 HEC HAD2 1 1 27 32961 4 2 1 HEC HBA1 H 6.241 -6.176 9.216 1.00 . D A . 71 HEC HBA1 1 1 27 32962 4 2 1 HEC HBA2 H 7.177 -5.203 10.359 1.00 . D A . 71 HEC HBA2 1 1 27 32963 4 2 1 HEC HBB1 H -3.745 -9.342 9.901 1.00 . D A . 71 HEC HBB1 1 1 27 32964 4 2 1 HEC HBB2 H -4.666 -10.838 9.661 1.00 . D A . 71 HEC HBB2 1 1 27 32965 4 2 1 HEC HBB3 H -3.176 -10.866 10.614 1.00 . D A . 71 HEC HBB3 1 1 27 32966 4 2 1 HEC HBC1 H -3.323 -4.596 1.404 1.00 . D A . 71 HEC HBC1 1 1 27 32967 4 2 1 HEC HBC2 H -3.892 -5.877 2.494 1.00 . D A . 71 HEC HBC2 1 1 27 32968 4 2 1 HEC HBC3 H -3.384 -4.293 3.137 1.00 . D A . 71 HEC HBC3 1 1 27 32969 4 2 1 HEC HBD1 H 5.734 -3.993 6.836 1.00 . D A . 71 HEC HBD1 1 1 27 32970 4 2 1 HEC HBD2 H 6.506 -2.554 6.186 1.00 . D A . 71 HEC HBD2 1 1 27 32971 4 2 1 HEC HHA H 4.292 -4.055 8.720 1.00 . D A . 71 HEC HHA 1 1 27 32972 4 2 1 HEC HHB H 1.565 -9.374 10.969 1.00 . D A . 71 HEC HHB 1 1 27 32973 4 2 1 HEC HHC H -2.522 -9.289 6.081 1.00 . D A . 71 HEC HHC 1 1 27 32974 4 2 1 HEC HHD H 0.406 -4.207 3.676 1.00 . D A . 71 HEC HHD 1 1 27 32975 4 2 1 HEC HMA1 H 4.187 -8.879 11.902 1.00 . D A . 71 HEC HMA1 1 1 27 32976 4 2 1 HEC HMA2 H 4.203 -7.383 12.824 1.00 . D A . 71 HEC HMA2 1 1 27 32977 4 2 1 HEC HMA3 H 2.700 -8.303 12.699 1.00 . D A . 71 HEC HMA3 1 1 27 32978 4 2 1 HEC HMB1 H -1.096 -12.015 10.328 1.00 . D A . 71 HEC HMB1 1 1 27 32979 4 2 1 HEC HMB2 H 0.583 -11.549 10.602 1.00 . D A . 71 HEC HMB2 1 1 27 32980 4 2 1 HEC HMB3 H -0.719 -10.722 11.486 1.00 . D A . 71 HEC HMB3 1 1 27 32981 4 2 1 HEC HMC1 H -3.086 -8.064 2.626 1.00 . D A . 71 HEC HMC1 1 1 27 32982 4 2 1 HEC HMC2 H -2.611 -9.323 3.772 1.00 . D A . 71 HEC HMC2 1 1 27 32983 4 2 1 HEC HMC3 H -3.939 -8.221 4.177 1.00 . D A . 71 HEC HMC3 1 1 27 32984 4 2 1 HEC HMD1 H 3.239 -1.829 3.932 1.00 . D A . 71 HEC HMD1 1 1 27 32985 4 2 1 HEC HMD2 H 2.167 -2.987 3.156 1.00 . D A . 71 HEC HMD2 1 1 27 32986 4 2 1 HEC HMD3 H 1.505 -1.690 4.108 1.00 . D A . 71 HEC HMD3 1 1 27 32987 4 2 1 HEC NA N 2.134 -6.656 9.013 1.00 . D A . 71 HEC NA 1 1 27 32988 4 2 1 HEC NB N -0.022 -8.333 8.148 1.00 . D A . 71 HEC NB 1 1 27 32989 4 2 1 HEC NC N -0.458 -6.657 5.877 1.00 . D A . 71 HEC NC 1 1 27 32990 4 2 1 HEC ND N 1.745 -4.987 6.698 1.00 . D A . 71 HEC ND 1 1 27 32991 4 2 1 HEC O1A O 8.026 -7.784 10.341 1.00 . D A . 71 HEC O1A 1 1 27 32992 4 2 1 HEC O1D O 5.363 -1.947 9.065 1.00 . D A . 71 HEC O1D 1 1 27 32993 4 2 1 HEC O2A O 6.540 -7.684 11.977 1.00 . D A . 71 HEC O2A 1 1 27 32994 4 2 1 HEC O2D O 7.406 -2.684 8.606 1.00 . D A . 71 HEC O2D 1 1 28 32995 1 1 1 ALA C C 8.837 3.696 -9.070 1.00 . A A . 1 ALA C 1 1 28 32996 1 1 1 ALA CA C 9.981 4.711 -9.060 1.00 . A A . 1 ALA CA 1 1 28 32997 1 1 1 ALA CB C 9.465 6.145 -9.235 1.00 . A A . 1 ALA CB 1 1 28 32998 1 1 1 ALA H1 H 10.410 3.956 -10.909 1.00 . A A . 1 ALA H1 1 1 28 32999 1 1 1 ALA H2 H 11.472 5.158 -10.440 1.00 . A A . 1 ALA H2 1 1 28 33000 1 1 1 ALA H3 H 11.541 3.616 -9.833 1.00 . A A . 1 ALA H3 1 1 28 33001 1 1 1 ALA HA H 10.491 4.660 -8.096 1.00 . A A . 1 ALA HA 1 1 28 33002 1 1 1 ALA HB1 H 10.297 6.849 -9.189 1.00 . A A . 1 ALA HB1 1 1 28 33003 1 1 1 ALA HB2 H 8.959 6.254 -10.196 1.00 . A A . 1 ALA HB2 1 1 28 33004 1 1 1 ALA HB3 H 8.763 6.386 -8.434 1.00 . A A . 1 ALA HB3 1 1 28 33005 1 1 1 ALA N N 10.936 4.365 -10.129 1.00 . A A . 1 ALA N 1 1 28 33006 1 1 1 ALA O O 7.696 4.057 -9.354 1.00 . A A . 1 ALA O 1 1 28 33007 1 1 2 ASP C C 8.199 0.335 -8.036 1.00 . A A . 2 ASP C 1 1 28 33008 1 1 2 ASP CA C 8.324 1.300 -9.215 1.00 . A A . 2 ASP CA 1 1 28 33009 1 1 2 ASP CB C 8.872 0.665 -10.508 1.00 . A A . 2 ASP CB 1 1 28 33010 1 1 2 ASP CG C 9.014 1.642 -11.674 1.00 . A A . 2 ASP CG 1 1 28 33011 1 1 2 ASP H H 10.106 2.169 -8.613 1.00 . A A . 2 ASP H 1 1 28 33012 1 1 2 ASP HA H 7.319 1.650 -9.384 1.00 . A A . 2 ASP HA 1 1 28 33013 1 1 2 ASP HB2 H 9.858 0.259 -10.320 1.00 . A A . 2 ASP HB2 1 1 28 33014 1 1 2 ASP HB3 H 8.214 -0.140 -10.832 1.00 . A A . 2 ASP HB3 1 1 28 33015 1 1 2 ASP N N 9.164 2.420 -8.844 1.00 . A A . 2 ASP N 1 1 28 33016 1 1 2 ASP O O 8.012 0.777 -6.907 1.00 . A A . 2 ASP O 1 1 28 33017 1 1 2 ASP OD1 O 9.886 2.540 -11.574 1.00 . A A . 2 ASP OD1 1 1 28 33018 1 1 2 ASP OD2 O 8.261 1.474 -12.652 1.00 . A A . 2 ASP OD2 1 1 28 33019 1 1 3 VAL C C 9.084 -1.739 -6.094 1.00 . A A . 3 VAL C 1 1 28 33020 1 1 3 VAL CA C 8.066 -1.955 -7.216 1.00 . A A . 3 VAL CA 1 1 28 33021 1 1 3 VAL CB C 8.079 -3.391 -7.776 1.00 . A A . 3 VAL CB 1 1 28 33022 1 1 3 VAL CG1 C 6.926 -3.592 -8.767 1.00 . A A . 3 VAL CG1 1 1 28 33023 1 1 3 VAL CG2 C 9.401 -3.778 -8.453 1.00 . A A . 3 VAL CG2 1 1 28 33024 1 1 3 VAL H H 8.455 -1.297 -9.210 1.00 . A A . 3 VAL H 1 1 28 33025 1 1 3 VAL HA H 7.080 -1.778 -6.794 1.00 . A A . 3 VAL HA 1 1 28 33026 1 1 3 VAL HB H 7.915 -4.076 -6.943 1.00 . A A . 3 VAL HB 1 1 28 33027 1 1 3 VAL HG11 H 5.985 -3.397 -8.257 1.00 . A A . 3 VAL HG11 1 1 28 33028 1 1 3 VAL HG12 H 7.021 -2.922 -9.621 1.00 . A A . 3 VAL HG12 1 1 28 33029 1 1 3 VAL HG13 H 6.915 -4.621 -9.123 1.00 . A A . 3 VAL HG13 1 1 28 33030 1 1 3 VAL HG21 H 10.211 -3.780 -7.726 1.00 . A A . 3 VAL HG21 1 1 28 33031 1 1 3 VAL HG22 H 9.315 -4.782 -8.867 1.00 . A A . 3 VAL HG22 1 1 28 33032 1 1 3 VAL HG23 H 9.642 -3.086 -9.260 1.00 . A A . 3 VAL HG23 1 1 28 33033 1 1 3 VAL N N 8.262 -0.975 -8.277 1.00 . A A . 3 VAL N 1 1 28 33034 1 1 3 VAL O O 10.279 -1.626 -6.365 1.00 . A A . 3 VAL O 1 1 28 33035 1 1 4 VAL C C 8.963 -2.668 -2.721 1.00 . A A . 4 VAL C 1 1 28 33036 1 1 4 VAL CA C 9.479 -1.611 -3.676 1.00 . A A . 4 VAL CA 1 1 28 33037 1 1 4 VAL CB C 9.479 -0.207 -3.043 1.00 . A A . 4 VAL CB 1 1 28 33038 1 1 4 VAL CG1 C 10.209 -0.184 -1.686 1.00 . A A . 4 VAL CG1 1 1 28 33039 1 1 4 VAL CG2 C 10.187 0.787 -3.969 1.00 . A A . 4 VAL CG2 1 1 28 33040 1 1 4 VAL H H 7.629 -1.794 -4.635 1.00 . A A . 4 VAL H 1 1 28 33041 1 1 4 VAL HA H 10.509 -1.860 -3.915 1.00 . A A . 4 VAL HA 1 1 28 33042 1 1 4 VAL HB H 8.450 0.120 -2.900 1.00 . A A . 4 VAL HB 1 1 28 33043 1 1 4 VAL HG11 H 9.676 -0.768 -0.937 1.00 . A A . 4 VAL HG11 1 1 28 33044 1 1 4 VAL HG12 H 11.214 -0.595 -1.789 1.00 . A A . 4 VAL HG12 1 1 28 33045 1 1 4 VAL HG13 H 10.281 0.840 -1.320 1.00 . A A . 4 VAL HG13 1 1 28 33046 1 1 4 VAL HG21 H 10.192 1.776 -3.511 1.00 . A A . 4 VAL HG21 1 1 28 33047 1 1 4 VAL HG22 H 11.214 0.465 -4.140 1.00 . A A . 4 VAL HG22 1 1 28 33048 1 1 4 VAL HG23 H 9.667 0.850 -4.923 1.00 . A A . 4 VAL HG23 1 1 28 33049 1 1 4 VAL N N 8.620 -1.666 -4.843 1.00 . A A . 4 VAL N 1 1 28 33050 1 1 4 VAL O O 7.783 -3.031 -2.747 1.00 . A A . 4 VAL O 1 1 28 33051 1 1 5 THR C C 10.284 -2.996 0.515 1.00 . A A . 5 THR C 1 1 28 33052 1 1 5 THR CA C 9.443 -3.625 -0.575 1.00 . A A . 5 THR CA 1 1 28 33053 1 1 5 THR CB C 9.510 -5.158 -0.545 1.00 . A A . 5 THR CB 1 1 28 33054 1 1 5 THR CG2 C 10.850 -5.711 -1.047 1.00 . A A . 5 THR CG2 1 1 28 33055 1 1 5 THR H H 10.819 -2.850 -1.903 1.00 . A A . 5 THR H 1 1 28 33056 1 1 5 THR HA H 8.441 -3.227 -0.397 1.00 . A A . 5 THR HA 1 1 28 33057 1 1 5 THR HB H 8.730 -5.534 -1.199 1.00 . A A . 5 THR HB 1 1 28 33058 1 1 5 THR HG1 H 10.081 -5.285 1.275 1.00 . A A . 5 THR HG1 1 1 28 33059 1 1 5 THR HG21 H 10.988 -5.473 -2.102 1.00 . A A . 5 THR HG21 1 1 28 33060 1 1 5 THR HG22 H 11.679 -5.294 -0.473 1.00 . A A . 5 THR HG22 1 1 28 33061 1 1 5 THR HG23 H 10.856 -6.795 -0.937 1.00 . A A . 5 THR HG23 1 1 28 33062 1 1 5 THR N N 9.855 -3.135 -1.855 1.00 . A A . 5 THR N 1 1 28 33063 1 1 5 THR O O 11.428 -2.601 0.306 1.00 . A A . 5 THR O 1 1 28 33064 1 1 5 THR OG1 O 9.328 -5.614 0.778 1.00 . A A . 5 THR OG1 1 1 28 33065 1 1 6 TYR C C 11.062 -3.578 3.595 1.00 . A A . 6 TYR C 1 1 28 33066 1 1 6 TYR CA C 10.213 -2.488 2.936 1.00 . A A . 6 TYR CA 1 1 28 33067 1 1 6 TYR CB C 9.044 -2.087 3.825 1.00 . A A . 6 TYR CB 1 1 28 33068 1 1 6 TYR CD1 C 8.853 0.326 3.056 1.00 . A A . 6 TYR CD1 1 1 28 33069 1 1 6 TYR CD2 C 6.852 -1.053 3.083 1.00 . A A . 6 TYR CD2 1 1 28 33070 1 1 6 TYR CE1 C 8.095 1.413 2.593 1.00 . A A . 6 TYR CE1 1 1 28 33071 1 1 6 TYR CE2 C 6.093 0.040 2.636 1.00 . A A . 6 TYR CE2 1 1 28 33072 1 1 6 TYR CG C 8.231 -0.909 3.316 1.00 . A A . 6 TYR CG 1 1 28 33073 1 1 6 TYR CZ C 6.700 1.295 2.474 1.00 . A A . 6 TYR CZ 1 1 28 33074 1 1 6 TYR H H 8.706 -3.298 1.672 1.00 . A A . 6 TYR H 1 1 28 33075 1 1 6 TYR HA H 10.840 -1.619 2.754 1.00 . A A . 6 TYR HA 1 1 28 33076 1 1 6 TYR HB2 H 8.403 -2.964 3.889 1.00 . A A . 6 TYR HB2 1 1 28 33077 1 1 6 TYR HB3 H 9.401 -1.861 4.828 1.00 . A A . 6 TYR HB3 1 1 28 33078 1 1 6 TYR HD1 H 9.917 0.442 3.202 1.00 . A A . 6 TYR HD1 1 1 28 33079 1 1 6 TYR HD2 H 6.369 -1.999 3.250 1.00 . A A . 6 TYR HD2 1 1 28 33080 1 1 6 TYR HE1 H 8.591 2.326 2.301 1.00 . A A . 6 TYR HE1 1 1 28 33081 1 1 6 TYR HE2 H 5.042 -0.093 2.438 1.00 . A A . 6 TYR HE2 1 1 28 33082 1 1 6 TYR HH H 5.073 2.069 1.826 1.00 . A A . 6 TYR HH 1 1 28 33083 1 1 6 TYR N N 9.656 -2.950 1.683 1.00 . A A . 6 TYR N 1 1 28 33084 1 1 6 TYR O O 12.150 -3.279 4.079 1.00 . A A . 6 TYR O 1 1 28 33085 1 1 6 TYR OH O 5.954 2.361 2.063 1.00 . A A . 6 TYR OH 1 1 28 33086 1 1 7 GLU C C 10.551 -6.102 5.651 1.00 . A A . 7 GLU C 1 1 28 33087 1 1 7 GLU CA C 11.114 -6.019 4.230 1.00 . A A . 7 GLU CA 1 1 28 33088 1 1 7 GLU CB C 12.644 -6.029 4.194 1.00 . A A . 7 GLU CB 1 1 28 33089 1 1 7 GLU CD C 13.234 -8.111 5.600 1.00 . A A . 7 GLU CD 1 1 28 33090 1 1 7 GLU CG C 13.403 -7.364 4.286 1.00 . A A . 7 GLU CG 1 1 28 33091 1 1 7 GLU H H 9.623 -4.906 3.219 1.00 . A A . 7 GLU H 1 1 28 33092 1 1 7 GLU HA H 10.770 -6.868 3.651 1.00 . A A . 7 GLU HA 1 1 28 33093 1 1 7 GLU HB2 H 12.930 -5.594 3.240 1.00 . A A . 7 GLU HB2 1 1 28 33094 1 1 7 GLU HB3 H 12.962 -5.401 5.015 1.00 . A A . 7 GLU HB3 1 1 28 33095 1 1 7 GLU HG2 H 13.109 -8.003 3.459 1.00 . A A . 7 GLU HG2 1 1 28 33096 1 1 7 GLU HG3 H 14.464 -7.145 4.171 1.00 . A A . 7 GLU HG3 1 1 28 33097 1 1 7 GLU N N 10.560 -4.825 3.576 1.00 . A A . 7 GLU N 1 1 28 33098 1 1 7 GLU O O 10.388 -5.080 6.311 1.00 . A A . 7 GLU O 1 1 28 33099 1 1 7 GLU OE1 O 14.038 -7.879 6.528 1.00 . A A . 7 GLU OE1 1 1 28 33100 1 1 7 GLU OE2 O 12.298 -8.936 5.644 1.00 . A A . 7 GLU OE2 1 1 28 33101 1 1 8 ASN C C 9.632 -8.964 7.780 1.00 . A A . 8 ASN C 1 1 28 33102 1 1 8 ASN CA C 9.440 -7.531 7.329 1.00 . A A . 8 ASN CA 1 1 28 33103 1 1 8 ASN CB C 7.938 -7.334 7.117 1.00 . A A . 8 ASN CB 1 1 28 33104 1 1 8 ASN CG C 7.574 -5.873 6.963 1.00 . A A . 8 ASN CG 1 1 28 33105 1 1 8 ASN H H 10.636 -8.115 5.661 1.00 . A A . 8 ASN H 1 1 28 33106 1 1 8 ASN HA H 9.796 -6.857 8.112 1.00 . A A . 8 ASN HA 1 1 28 33107 1 1 8 ASN HB2 H 7.615 -7.902 6.247 1.00 . A A . 8 ASN HB2 1 1 28 33108 1 1 8 ASN HB3 H 7.402 -7.712 7.986 1.00 . A A . 8 ASN HB3 1 1 28 33109 1 1 8 ASN HD21 H 7.530 -6.057 4.939 1.00 . A A . 8 ASN HD21 1 1 28 33110 1 1 8 ASN HD22 H 7.296 -4.426 5.587 1.00 . A A . 8 ASN HD22 1 1 28 33111 1 1 8 ASN N N 10.188 -7.305 6.096 1.00 . A A . 8 ASN N 1 1 28 33112 1 1 8 ASN ND2 N 7.424 -5.437 5.716 1.00 . A A . 8 ASN ND2 1 1 28 33113 1 1 8 ASN O O 9.750 -9.868 6.955 1.00 . A A . 8 ASN O 1 1 28 33114 1 1 8 ASN OD1 O 7.421 -5.168 7.954 1.00 . A A . 8 ASN OD1 1 1 28 33115 1 1 9 LYS C C 8.349 -11.202 9.839 1.00 . A A . 9 LYS C 1 1 28 33116 1 1 9 LYS CA C 9.706 -10.501 9.697 1.00 . A A . 9 LYS CA 1 1 28 33117 1 1 9 LYS CB C 10.451 -10.339 11.029 1.00 . A A . 9 LYS CB 1 1 28 33118 1 1 9 LYS CD C 12.502 -8.921 10.314 1.00 . A A . 9 LYS CD 1 1 28 33119 1 1 9 LYS CE C 13.650 -9.079 9.306 1.00 . A A . 9 LYS CE 1 1 28 33120 1 1 9 LYS CG C 11.979 -10.269 10.846 1.00 . A A . 9 LYS CG 1 1 28 33121 1 1 9 LYS H H 9.224 -8.420 9.697 1.00 . A A . 9 LYS H 1 1 28 33122 1 1 9 LYS HA H 10.303 -11.139 9.045 1.00 . A A . 9 LYS HA 1 1 28 33123 1 1 9 LYS HB2 H 10.065 -9.460 11.547 1.00 . A A . 9 LYS HB2 1 1 28 33124 1 1 9 LYS HB3 H 10.248 -11.214 11.645 1.00 . A A . 9 LYS HB3 1 1 28 33125 1 1 9 LYS HD2 H 11.717 -8.380 9.792 1.00 . A A . 9 LYS HD2 1 1 28 33126 1 1 9 LYS HD3 H 12.805 -8.289 11.151 1.00 . A A . 9 LYS HD3 1 1 28 33127 1 1 9 LYS HE2 H 13.299 -9.636 8.432 1.00 . A A . 9 LYS HE2 1 1 28 33128 1 1 9 LYS HE3 H 13.947 -8.085 8.965 1.00 . A A . 9 LYS HE3 1 1 28 33129 1 1 9 LYS HG2 H 12.438 -10.453 11.820 1.00 . A A . 9 LYS HG2 1 1 28 33130 1 1 9 LYS HG3 H 12.267 -11.083 10.180 1.00 . A A . 9 LYS HG3 1 1 28 33131 1 1 9 LYS HZ1 H 15.540 -9.819 9.152 1.00 . A A . 9 LYS HZ1 1 1 28 33132 1 1 9 LYS HZ2 H 15.205 -9.204 10.641 1.00 . A A . 9 LYS HZ2 1 1 28 33133 1 1 9 LYS HZ3 H 14.596 -10.672 10.198 1.00 . A A . 9 LYS HZ3 1 1 28 33134 1 1 9 LYS N N 9.538 -9.189 9.090 1.00 . A A . 9 LYS N 1 1 28 33135 1 1 9 LYS NZ N 14.836 -9.747 9.874 1.00 . A A . 9 LYS NZ 1 1 28 33136 1 1 9 LYS O O 8.165 -12.076 10.691 1.00 . A A . 9 LYS O 1 1 28 33137 1 1 10 LYS C C 6.668 -12.135 7.134 1.00 . A A . 10 LYS C 1 1 28 33138 1 1 10 LYS CA C 6.316 -11.724 8.561 1.00 . A A . 10 LYS CA 1 1 28 33139 1 1 10 LYS CB C 4.910 -11.090 8.679 1.00 . A A . 10 LYS CB 1 1 28 33140 1 1 10 LYS CD C 5.253 -10.461 11.204 1.00 . A A . 10 LYS CD 1 1 28 33141 1 1 10 LYS CE C 4.963 -11.903 11.656 1.00 . A A . 10 LYS CE 1 1 28 33142 1 1 10 LYS CG C 4.710 -10.077 9.814 1.00 . A A . 10 LYS CG 1 1 28 33143 1 1 10 LYS H H 7.631 -10.071 8.380 1.00 . A A . 10 LYS H 1 1 28 33144 1 1 10 LYS HA H 6.328 -12.635 9.159 1.00 . A A . 10 LYS HA 1 1 28 33145 1 1 10 LYS HB2 H 4.637 -10.544 7.777 1.00 . A A . 10 LYS HB2 1 1 28 33146 1 1 10 LYS HB3 H 4.180 -11.894 8.769 1.00 . A A . 10 LYS HB3 1 1 28 33147 1 1 10 LYS HD2 H 6.322 -10.259 11.211 1.00 . A A . 10 LYS HD2 1 1 28 33148 1 1 10 LYS HD3 H 4.832 -9.779 11.941 1.00 . A A . 10 LYS HD3 1 1 28 33149 1 1 10 LYS HE2 H 4.074 -11.910 12.289 1.00 . A A . 10 LYS HE2 1 1 28 33150 1 1 10 LYS HE3 H 4.763 -12.551 10.805 1.00 . A A . 10 LYS HE3 1 1 28 33151 1 1 10 LYS HG2 H 5.201 -9.159 9.483 1.00 . A A . 10 LYS HG2 1 1 28 33152 1 1 10 LYS HG3 H 3.644 -9.854 9.878 1.00 . A A . 10 LYS HG3 1 1 28 33153 1 1 10 LYS HZ1 H 6.932 -12.465 11.782 1.00 . A A . 10 LYS HZ1 1 1 28 33154 1 1 10 LYS HZ2 H 6.317 -11.937 13.214 1.00 . A A . 10 LYS HZ2 1 1 28 33155 1 1 10 LYS HZ3 H 5.922 -13.435 12.647 1.00 . A A . 10 LYS HZ3 1 1 28 33156 1 1 10 LYS N N 7.389 -10.836 8.985 1.00 . A A . 10 LYS N 1 1 28 33157 1 1 10 LYS NZ N 6.111 -12.479 12.387 1.00 . A A . 10 LYS NZ 1 1 28 33158 1 1 10 LYS O O 7.251 -13.194 6.928 1.00 . A A . 10 LYS O 1 1 28 33159 1 1 11 GLY C C 6.873 -9.962 4.248 1.00 . A A . 11 GLY C 1 1 28 33160 1 1 11 GLY CA C 6.696 -11.375 4.782 1.00 . A A . 11 GLY CA 1 1 28 33161 1 1 11 GLY H H 6.001 -10.343 6.446 1.00 . A A . 11 GLY H 1 1 28 33162 1 1 11 GLY HA2 H 7.606 -11.963 4.644 1.00 . A A . 11 GLY HA2 1 1 28 33163 1 1 11 GLY HA3 H 5.869 -11.855 4.260 1.00 . A A . 11 GLY HA3 1 1 28 33164 1 1 11 GLY N N 6.394 -11.236 6.187 1.00 . A A . 11 GLY N 1 1 28 33165 1 1 11 GLY O O 6.109 -9.063 4.612 1.00 . A A . 11 GLY O 1 1 28 33166 1 1 12 ASN C C 7.063 -7.973 2.076 1.00 . A A . 12 ASN C 1 1 28 33167 1 1 12 ASN CA C 8.300 -8.538 2.771 1.00 . A A . 12 ASN CA 1 1 28 33168 1 1 12 ASN CB C 9.372 -8.888 1.729 1.00 . A A . 12 ASN CB 1 1 28 33169 1 1 12 ASN CG C 10.733 -9.207 2.346 1.00 . A A . 12 ASN CG 1 1 28 33170 1 1 12 ASN H H 8.432 -10.610 3.184 1.00 . A A . 12 ASN H 1 1 28 33171 1 1 12 ASN HA H 8.725 -7.785 3.474 1.00 . A A . 12 ASN HA 1 1 28 33172 1 1 12 ASN HB2 H 9.037 -9.737 1.133 1.00 . A A . 12 ASN HB2 1 1 28 33173 1 1 12 ASN HB3 H 9.506 -8.049 1.050 1.00 . A A . 12 ASN HB3 1 1 28 33174 1 1 12 ASN HD21 H 9.928 -9.616 4.193 1.00 . A A . 12 ASN HD21 1 1 28 33175 1 1 12 ASN HD22 H 11.641 -9.541 4.167 1.00 . A A . 12 ASN HD22 1 1 28 33176 1 1 12 ASN N N 7.913 -9.780 3.434 1.00 . A A . 12 ASN N 1 1 28 33177 1 1 12 ASN ND2 N 10.762 -9.548 3.635 1.00 . A A . 12 ASN ND2 1 1 28 33178 1 1 12 ASN O O 6.330 -8.699 1.404 1.00 . A A . 12 ASN O 1 1 28 33179 1 1 12 ASN OD1 O 11.749 -9.114 1.667 1.00 . A A . 12 ASN OD1 1 1 28 33180 1 1 13 VAL C C 5.974 -5.554 0.343 1.00 . A A . 13 VAL C 1 1 28 33181 1 1 13 VAL CA C 5.664 -5.974 1.773 1.00 . A A . 13 VAL CA 1 1 28 33182 1 1 13 VAL CB C 5.406 -4.782 2.712 1.00 . A A . 13 VAL CB 1 1 28 33183 1 1 13 VAL CG1 C 4.497 -3.702 2.113 1.00 . A A . 13 VAL CG1 1 1 28 33184 1 1 13 VAL CG2 C 4.758 -5.304 3.999 1.00 . A A . 13 VAL CG2 1 1 28 33185 1 1 13 VAL H H 7.531 -6.136 2.737 1.00 . A A . 13 VAL H 1 1 28 33186 1 1 13 VAL HA H 4.783 -6.618 1.773 1.00 . A A . 13 VAL HA 1 1 28 33187 1 1 13 VAL HB H 6.360 -4.313 2.965 1.00 . A A . 13 VAL HB 1 1 28 33188 1 1 13 VAL HG11 H 4.961 -3.191 1.275 1.00 . A A . 13 VAL HG11 1 1 28 33189 1 1 13 VAL HG12 H 3.553 -4.139 1.790 1.00 . A A . 13 VAL HG12 1 1 28 33190 1 1 13 VAL HG13 H 4.332 -2.944 2.873 1.00 . A A . 13 VAL HG13 1 1 28 33191 1 1 13 VAL HG21 H 3.722 -5.587 3.814 1.00 . A A . 13 VAL HG21 1 1 28 33192 1 1 13 VAL HG22 H 5.293 -6.174 4.375 1.00 . A A . 13 VAL HG22 1 1 28 33193 1 1 13 VAL HG23 H 4.792 -4.523 4.756 1.00 . A A . 13 VAL HG23 1 1 28 33194 1 1 13 VAL N N 6.822 -6.684 2.279 1.00 . A A . 13 VAL N 1 1 28 33195 1 1 13 VAL O O 6.568 -4.505 0.132 1.00 . A A . 13 VAL O 1 1 28 33196 1 1 14 THR C C 4.619 -4.973 -2.378 1.00 . A A . 14 THR C 1 1 28 33197 1 1 14 THR CA C 5.739 -5.961 -2.036 1.00 . A A . 14 THR CA 1 1 28 33198 1 1 14 THR CB C 5.827 -7.201 -2.947 1.00 . A A . 14 THR CB 1 1 28 33199 1 1 14 THR CG2 C 4.567 -8.070 -2.988 1.00 . A A . 14 THR CG2 1 1 28 33200 1 1 14 THR H H 5.085 -7.209 -0.416 1.00 . A A . 14 THR H 1 1 28 33201 1 1 14 THR HA H 6.691 -5.444 -2.148 1.00 . A A . 14 THR HA 1 1 28 33202 1 1 14 THR HB H 6.641 -7.819 -2.566 1.00 . A A . 14 THR HB 1 1 28 33203 1 1 14 THR HG1 H 5.421 -6.415 -4.689 1.00 . A A . 14 THR HG1 1 1 28 33204 1 1 14 THR HG21 H 4.791 -8.987 -3.535 1.00 . A A . 14 THR HG21 1 1 28 33205 1 1 14 THR HG22 H 4.250 -8.331 -1.978 1.00 . A A . 14 THR HG22 1 1 28 33206 1 1 14 THR HG23 H 3.752 -7.557 -3.495 1.00 . A A . 14 THR HG23 1 1 28 33207 1 1 14 THR N N 5.587 -6.360 -0.644 1.00 . A A . 14 THR N 1 1 28 33208 1 1 14 THR O O 3.444 -5.335 -2.343 1.00 . A A . 14 THR O 1 1 28 33209 1 1 14 THR OG1 O 6.176 -6.830 -4.266 1.00 . A A . 14 THR OG1 1 1 28 33210 1 1 15 PHE C C 4.483 -2.110 -4.426 1.00 . A A . 15 PHE C 1 1 28 33211 1 1 15 PHE CA C 4.022 -2.692 -3.088 1.00 . A A . 15 PHE CA 1 1 28 33212 1 1 15 PHE CB C 3.836 -1.642 -1.984 1.00 . A A . 15 PHE CB 1 1 28 33213 1 1 15 PHE CD1 C 6.033 -1.142 -0.853 1.00 . A A . 15 PHE CD1 1 1 28 33214 1 1 15 PHE CD2 C 5.001 0.598 -2.205 1.00 . A A . 15 PHE CD2 1 1 28 33215 1 1 15 PHE CE1 C 6.994 -0.227 -0.405 1.00 . A A . 15 PHE CE1 1 1 28 33216 1 1 15 PHE CE2 C 5.970 1.515 -1.761 1.00 . A A . 15 PHE CE2 1 1 28 33217 1 1 15 PHE CG C 5.009 -0.723 -1.718 1.00 . A A . 15 PHE CG 1 1 28 33218 1 1 15 PHE CZ C 6.933 1.113 -0.820 1.00 . A A . 15 PHE CZ 1 1 28 33219 1 1 15 PHE H H 5.953 -3.454 -2.671 1.00 . A A . 15 PHE H 1 1 28 33220 1 1 15 PHE HA H 3.042 -3.145 -3.244 1.00 . A A . 15 PHE HA 1 1 28 33221 1 1 15 PHE HB2 H 2.969 -1.029 -2.215 1.00 . A A . 15 PHE HB2 1 1 28 33222 1 1 15 PHE HB3 H 3.614 -2.165 -1.055 1.00 . A A . 15 PHE HB3 1 1 28 33223 1 1 15 PHE HD1 H 6.070 -2.163 -0.507 1.00 . A A . 15 PHE HD1 1 1 28 33224 1 1 15 PHE HD2 H 4.240 0.923 -2.901 1.00 . A A . 15 PHE HD2 1 1 28 33225 1 1 15 PHE HE1 H 7.740 -0.538 0.311 1.00 . A A . 15 PHE HE1 1 1 28 33226 1 1 15 PHE HE2 H 5.961 2.533 -2.122 1.00 . A A . 15 PHE HE2 1 1 28 33227 1 1 15 PHE HZ H 7.619 1.826 -0.395 1.00 . A A . 15 PHE HZ 1 1 28 33228 1 1 15 PHE N N 4.969 -3.716 -2.671 1.00 . A A . 15 PHE N 1 1 28 33229 1 1 15 PHE O O 5.658 -1.777 -4.600 1.00 . A A . 15 PHE O 1 1 28 33230 1 1 16 ASP C C 3.444 -0.171 -6.940 1.00 . A A . 16 ASP C 1 1 28 33231 1 1 16 ASP CA C 3.846 -1.631 -6.754 1.00 . A A . 16 ASP CA 1 1 28 33232 1 1 16 ASP CB C 3.176 -2.568 -7.758 1.00 . A A . 16 ASP CB 1 1 28 33233 1 1 16 ASP CG C 3.693 -2.305 -9.166 1.00 . A A . 16 ASP CG 1 1 28 33234 1 1 16 ASP H H 2.614 -2.332 -5.182 1.00 . A A . 16 ASP H 1 1 28 33235 1 1 16 ASP HA H 4.914 -1.716 -6.941 1.00 . A A . 16 ASP HA 1 1 28 33236 1 1 16 ASP HB2 H 3.416 -3.599 -7.500 1.00 . A A . 16 ASP HB2 1 1 28 33237 1 1 16 ASP HB3 H 2.094 -2.448 -7.730 1.00 . A A . 16 ASP HB3 1 1 28 33238 1 1 16 ASP N N 3.559 -2.050 -5.391 1.00 . A A . 16 ASP N 1 1 28 33239 1 1 16 ASP O O 2.288 0.134 -7.243 1.00 . A A . 16 ASP O 1 1 28 33240 1 1 16 ASP OD1 O 4.003 -1.147 -9.514 1.00 . A A . 16 ASP OD1 1 1 28 33241 1 1 16 ASP OD2 O 3.783 -3.261 -9.964 1.00 . A A . 16 ASP OD2 1 1 28 33242 1 1 17 HIS C C 3.718 2.596 -8.126 1.00 . A A . 17 HIS C 1 1 28 33243 1 1 17 HIS CA C 4.297 2.155 -6.777 1.00 . A A . 17 HIS CA 1 1 28 33244 1 1 17 HIS CB C 5.697 2.734 -6.533 1.00 . A A . 17 HIS CB 1 1 28 33245 1 1 17 HIS CD2 C 5.292 4.934 -5.335 1.00 . A A . 17 HIS CD2 1 1 28 33246 1 1 17 HIS CE1 C 5.946 6.347 -6.877 1.00 . A A . 17 HIS CE1 1 1 28 33247 1 1 17 HIS CG C 5.736 4.222 -6.407 1.00 . A A . 17 HIS CG 1 1 28 33248 1 1 17 HIS H H 5.324 0.339 -6.449 1.00 . A A . 17 HIS H 1 1 28 33249 1 1 17 HIS HA H 3.629 2.483 -5.980 1.00 . A A . 17 HIS HA 1 1 28 33250 1 1 17 HIS HB2 H 6.106 2.313 -5.613 1.00 . A A . 17 HIS HB2 1 1 28 33251 1 1 17 HIS HB3 H 6.356 2.469 -7.354 1.00 . A A . 17 HIS HB3 1 1 28 33252 1 1 17 HIS HD1 H 6.496 4.881 -8.292 1.00 . A A . 17 HIS HD1 1 1 28 33253 1 1 17 HIS HD2 H 4.855 4.522 -4.442 1.00 . A A . 17 HIS HD2 1 1 28 33254 1 1 17 HIS HE1 H 6.112 7.268 -7.412 1.00 . A A . 17 HIS HE1 1 1 28 33255 1 1 17 HIS N N 4.422 0.710 -6.712 1.00 . A A . 17 HIS N 1 1 28 33256 1 1 17 HIS ND1 N 6.148 5.115 -7.369 1.00 . A A . 17 HIS ND1 1 1 28 33257 1 1 17 HIS NE2 N 5.416 6.284 -5.648 1.00 . A A . 17 HIS NE2 1 1 28 33258 1 1 17 HIS O O 2.603 3.107 -8.202 1.00 . A A . 17 HIS O 1 1 28 33259 1 1 18 LYS C C 2.788 2.161 -10.950 1.00 . A A . 18 LYS C 1 1 28 33260 1 1 18 LYS CA C 4.148 2.750 -10.559 1.00 . A A . 18 LYS CA 1 1 28 33261 1 1 18 LYS CB C 5.338 2.476 -11.491 1.00 . A A . 18 LYS CB 1 1 28 33262 1 1 18 LYS CD C 5.344 0.083 -12.173 1.00 . A A . 18 LYS CD 1 1 28 33263 1 1 18 LYS CE C 4.430 -0.930 -12.867 1.00 . A A . 18 LYS CE 1 1 28 33264 1 1 18 LYS CG C 5.063 1.516 -12.632 1.00 . A A . 18 LYS CG 1 1 28 33265 1 1 18 LYS H H 5.374 1.940 -9.039 1.00 . A A . 18 LYS H 1 1 28 33266 1 1 18 LYS HA H 4.033 3.822 -10.645 1.00 . A A . 18 LYS HA 1 1 28 33267 1 1 18 LYS HB2 H 5.727 3.410 -11.889 1.00 . A A . 18 LYS HB2 1 1 28 33268 1 1 18 LYS HB3 H 6.175 2.072 -10.953 1.00 . A A . 18 LYS HB3 1 1 28 33269 1 1 18 LYS HD2 H 6.391 -0.146 -12.382 1.00 . A A . 18 LYS HD2 1 1 28 33270 1 1 18 LYS HD3 H 5.223 0.034 -11.095 1.00 . A A . 18 LYS HD3 1 1 28 33271 1 1 18 LYS HE2 H 3.394 -0.594 -12.809 1.00 . A A . 18 LYS HE2 1 1 28 33272 1 1 18 LYS HE3 H 4.704 -1.000 -13.921 1.00 . A A . 18 LYS HE3 1 1 28 33273 1 1 18 LYS HG2 H 4.067 1.689 -13.038 1.00 . A A . 18 LYS HG2 1 1 28 33274 1 1 18 LYS HG3 H 5.789 1.764 -13.387 1.00 . A A . 18 LYS HG3 1 1 28 33275 1 1 18 LYS HZ1 H 4.251 -2.209 -11.240 1.00 . A A . 18 LYS HZ1 1 1 28 33276 1 1 18 LYS HZ2 H 3.902 -2.917 -12.653 1.00 . A A . 18 LYS HZ2 1 1 28 33277 1 1 18 LYS HZ3 H 5.468 -2.612 -12.249 1.00 . A A . 18 LYS HZ3 1 1 28 33278 1 1 18 LYS N N 4.490 2.389 -9.193 1.00 . A A . 18 LYS N 1 1 28 33279 1 1 18 LYS NZ N 4.527 -2.254 -12.224 1.00 . A A . 18 LYS NZ 1 1 28 33280 1 1 18 LYS O O 1.928 2.896 -11.428 1.00 . A A . 18 LYS O 1 1 28 33281 1 1 19 ALA C C 0.131 1.023 -10.292 1.00 . A A . 19 ALA C 1 1 28 33282 1 1 19 ALA CA C 1.251 0.277 -10.999 1.00 . A A . 19 ALA CA 1 1 28 33283 1 1 19 ALA CB C 1.174 -1.161 -10.532 1.00 . A A . 19 ALA CB 1 1 28 33284 1 1 19 ALA H H 3.299 0.280 -10.331 1.00 . A A . 19 ALA H 1 1 28 33285 1 1 19 ALA HA H 1.081 0.281 -12.074 1.00 . A A . 19 ALA HA 1 1 28 33286 1 1 19 ALA HB1 H 0.177 -1.546 -10.738 1.00 . A A . 19 ALA HB1 1 1 28 33287 1 1 19 ALA HB2 H 1.911 -1.762 -11.054 1.00 . A A . 19 ALA HB2 1 1 28 33288 1 1 19 ALA HB3 H 1.335 -1.146 -9.456 1.00 . A A . 19 ALA HB3 1 1 28 33289 1 1 19 ALA N N 2.555 0.867 -10.713 1.00 . A A . 19 ALA N 1 1 28 33290 1 1 19 ALA O O -0.841 1.424 -10.922 1.00 . A A . 19 ALA O 1 1 28 33291 1 1 20 HIS C C -0.934 3.295 -8.839 1.00 . A A . 20 HIS C 1 1 28 33292 1 1 20 HIS CA C -0.773 1.905 -8.223 1.00 . A A . 20 HIS CA 1 1 28 33293 1 1 20 HIS CB C -0.404 1.960 -6.735 1.00 . A A . 20 HIS CB 1 1 28 33294 1 1 20 HIS CD2 C -1.727 0.582 -5.012 1.00 . A A . 20 HIS CD2 1 1 28 33295 1 1 20 HIS CE1 C -0.898 -1.406 -5.374 1.00 . A A . 20 HIS CE1 1 1 28 33296 1 1 20 HIS CG C -0.764 0.701 -5.978 1.00 . A A . 20 HIS CG 1 1 28 33297 1 1 20 HIS H H 1.095 0.906 -8.494 1.00 . A A . 20 HIS H 1 1 28 33298 1 1 20 HIS HA H -1.729 1.387 -8.322 1.00 . A A . 20 HIS HA 1 1 28 33299 1 1 20 HIS HB2 H 0.658 2.176 -6.613 1.00 . A A . 20 HIS HB2 1 1 28 33300 1 1 20 HIS HB3 H -0.959 2.783 -6.295 1.00 . A A . 20 HIS HB3 1 1 28 33301 1 1 20 HIS HD1 H 0.544 -0.754 -6.803 1.00 . A A . 20 HIS HD1 1 1 28 33302 1 1 20 HIS HD2 H -2.317 1.388 -4.613 1.00 . A A . 20 HIS HD2 1 1 28 33303 1 1 20 HIS HE1 H -0.714 -2.466 -5.312 1.00 . A A . 20 HIS HE1 1 1 28 33304 1 1 20 HIS N N 0.240 1.181 -8.970 1.00 . A A . 20 HIS N 1 1 28 33305 1 1 20 HIS ND1 N -0.237 -0.552 -6.186 1.00 . A A . 20 HIS ND1 1 1 28 33306 1 1 20 HIS NE2 N -1.820 -0.762 -4.636 1.00 . A A . 20 HIS NE2 1 1 28 33307 1 1 20 HIS O O -2.044 3.795 -8.986 1.00 . A A . 20 HIS O 1 1 28 33308 1 1 21 ALA C C -0.713 5.238 -11.120 1.00 . A A . 21 ALA C 1 1 28 33309 1 1 21 ALA CA C 0.132 5.235 -9.842 1.00 . A A . 21 ALA CA 1 1 28 33310 1 1 21 ALA CB C 1.545 5.777 -10.076 1.00 . A A . 21 ALA CB 1 1 28 33311 1 1 21 ALA H H 1.045 3.371 -9.204 1.00 . A A . 21 ALA H 1 1 28 33312 1 1 21 ALA HA H -0.352 5.904 -9.128 1.00 . A A . 21 ALA HA 1 1 28 33313 1 1 21 ALA HB1 H 2.144 5.660 -9.172 1.00 . A A . 21 ALA HB1 1 1 28 33314 1 1 21 ALA HB2 H 2.038 5.254 -10.891 1.00 . A A . 21 ALA HB2 1 1 28 33315 1 1 21 ALA HB3 H 1.470 6.833 -10.335 1.00 . A A . 21 ALA HB3 1 1 28 33316 1 1 21 ALA N N 0.174 3.903 -9.255 1.00 . A A . 21 ALA N 1 1 28 33317 1 1 21 ALA O O -1.684 5.968 -11.223 1.00 . A A . 21 ALA O 1 1 28 33318 1 1 22 GLU C C -2.475 3.891 -13.287 1.00 . A A . 22 GLU C 1 1 28 33319 1 1 22 GLU CA C -1.033 4.398 -13.398 1.00 . A A . 22 GLU CA 1 1 28 33320 1 1 22 GLU CB C -0.184 3.638 -14.433 1.00 . A A . 22 GLU CB 1 1 28 33321 1 1 22 GLU CD C 1.054 1.494 -15.000 1.00 . A A . 22 GLU CD 1 1 28 33322 1 1 22 GLU CG C -0.030 2.140 -14.144 1.00 . A A . 22 GLU CG 1 1 28 33323 1 1 22 GLU H H 0.340 3.741 -11.869 1.00 . A A . 22 GLU H 1 1 28 33324 1 1 22 GLU HA H -1.084 5.432 -13.743 1.00 . A A . 22 GLU HA 1 1 28 33325 1 1 22 GLU HB2 H -0.631 3.752 -15.422 1.00 . A A . 22 GLU HB2 1 1 28 33326 1 1 22 GLU HB3 H 0.811 4.086 -14.460 1.00 . A A . 22 GLU HB3 1 1 28 33327 1 1 22 GLU HG2 H 0.242 2.012 -13.105 1.00 . A A . 22 GLU HG2 1 1 28 33328 1 1 22 GLU HG3 H -0.969 1.626 -14.340 1.00 . A A . 22 GLU HG3 1 1 28 33329 1 1 22 GLU N N -0.380 4.403 -12.092 1.00 . A A . 22 GLU N 1 1 28 33330 1 1 22 GLU O O -3.382 4.445 -13.904 1.00 . A A . 22 GLU O 1 1 28 33331 1 1 22 GLU OE1 O 0.964 1.656 -16.235 1.00 . A A . 22 GLU OE1 1 1 28 33332 1 1 22 GLU OE2 O 1.943 0.842 -14.409 1.00 . A A . 22 GLU OE2 1 1 28 33333 1 1 23 LYS C C -4.931 3.245 -11.550 1.00 . A A . 23 LYS C 1 1 28 33334 1 1 23 LYS CA C -4.007 2.261 -12.268 1.00 . A A . 23 LYS CA 1 1 28 33335 1 1 23 LYS CB C -3.873 0.955 -11.463 1.00 . A A . 23 LYS CB 1 1 28 33336 1 1 23 LYS CD C -3.827 -0.779 -13.335 1.00 . A A . 23 LYS CD 1 1 28 33337 1 1 23 LYS CE C -4.370 -2.168 -12.961 1.00 . A A . 23 LYS CE 1 1 28 33338 1 1 23 LYS CG C -3.045 -0.113 -12.200 1.00 . A A . 23 LYS CG 1 1 28 33339 1 1 23 LYS H H -1.897 2.403 -12.041 1.00 . A A . 23 LYS H 1 1 28 33340 1 1 23 LYS HA H -4.453 2.049 -13.239 1.00 . A A . 23 LYS HA 1 1 28 33341 1 1 23 LYS HB2 H -3.386 1.184 -10.514 1.00 . A A . 23 LYS HB2 1 1 28 33342 1 1 23 LYS HB3 H -4.867 0.568 -11.241 1.00 . A A . 23 LYS HB3 1 1 28 33343 1 1 23 LYS HD2 H -4.627 -0.116 -13.667 1.00 . A A . 23 LYS HD2 1 1 28 33344 1 1 23 LYS HD3 H -3.137 -0.893 -14.174 1.00 . A A . 23 LYS HD3 1 1 28 33345 1 1 23 LYS HE2 H -4.915 -2.574 -13.816 1.00 . A A . 23 LYS HE2 1 1 28 33346 1 1 23 LYS HE3 H -3.527 -2.832 -12.752 1.00 . A A . 23 LYS HE3 1 1 28 33347 1 1 23 LYS HG2 H -2.167 0.353 -12.645 1.00 . A A . 23 LYS HG2 1 1 28 33348 1 1 23 LYS HG3 H -2.675 -0.854 -11.489 1.00 . A A . 23 LYS HG3 1 1 28 33349 1 1 23 LYS HZ1 H -4.770 -1.763 -10.986 1.00 . A A . 23 LYS HZ1 1 1 28 33350 1 1 23 LYS HZ2 H -6.069 -1.558 -11.974 1.00 . A A . 23 LYS HZ2 1 1 28 33351 1 1 23 LYS HZ3 H -5.578 -3.074 -11.560 1.00 . A A . 23 LYS HZ3 1 1 28 33352 1 1 23 LYS N N -2.692 2.840 -12.491 1.00 . A A . 23 LYS N 1 1 28 33353 1 1 23 LYS NZ N -5.264 -2.138 -11.784 1.00 . A A . 23 LYS NZ 1 1 28 33354 1 1 23 LYS O O -6.107 3.333 -11.896 1.00 . A A . 23 LYS O 1 1 28 33355 1 1 24 LEU C C -5.151 6.241 -10.105 1.00 . A A . 24 LEU C 1 1 28 33356 1 1 24 LEU CA C -5.237 4.781 -9.657 1.00 . A A . 24 LEU CA 1 1 28 33357 1 1 24 LEU CB C -4.831 4.625 -8.186 1.00 . A A . 24 LEU CB 1 1 28 33358 1 1 24 LEU CD1 C -3.992 3.083 -6.387 1.00 . A A . 24 LEU CD1 1 1 28 33359 1 1 24 LEU CD2 C -6.087 2.496 -7.616 1.00 . A A . 24 LEU CD2 1 1 28 33360 1 1 24 LEU CG C -4.717 3.160 -7.731 1.00 . A A . 24 LEU CG 1 1 28 33361 1 1 24 LEU H H -3.449 3.794 -10.271 1.00 . A A . 24 LEU H 1 1 28 33362 1 1 24 LEU HA H -6.284 4.482 -9.727 1.00 . A A . 24 LEU HA 1 1 28 33363 1 1 24 LEU HB2 H -3.878 5.128 -8.025 1.00 . A A . 24 LEU HB2 1 1 28 33364 1 1 24 LEU HB3 H -5.580 5.124 -7.572 1.00 . A A . 24 LEU HB3 1 1 28 33365 1 1 24 LEU HD11 H -3.852 2.037 -6.126 1.00 . A A . 24 LEU HD11 1 1 28 33366 1 1 24 LEU HD12 H -3.025 3.573 -6.461 1.00 . A A . 24 LEU HD12 1 1 28 33367 1 1 24 LEU HD13 H -4.565 3.575 -5.610 1.00 . A A . 24 LEU HD13 1 1 28 33368 1 1 24 LEU HD21 H -6.565 2.440 -8.594 1.00 . A A . 24 LEU HD21 1 1 28 33369 1 1 24 LEU HD22 H -5.935 1.488 -7.240 1.00 . A A . 24 LEU HD22 1 1 28 33370 1 1 24 LEU HD23 H -6.727 3.048 -6.928 1.00 . A A . 24 LEU HD23 1 1 28 33371 1 1 24 LEU HG H -4.127 2.574 -8.433 1.00 . A A . 24 LEU HG 1 1 28 33372 1 1 24 LEU N N -4.425 3.928 -10.518 1.00 . A A . 24 LEU N 1 1 28 33373 1 1 24 LEU O O -6.180 6.853 -10.383 1.00 . A A . 24 LEU O 1 1 28 33374 1 1 25 GLY C C -2.429 8.662 -9.954 1.00 . A A . 25 GLY C 1 1 28 33375 1 1 25 GLY CA C -3.701 8.160 -10.620 1.00 . A A . 25 GLY CA 1 1 28 33376 1 1 25 GLY H H -3.085 6.255 -10.060 1.00 . A A . 25 GLY H 1 1 28 33377 1 1 25 GLY HA2 H -3.551 8.154 -11.698 1.00 . A A . 25 GLY HA2 1 1 28 33378 1 1 25 GLY HA3 H -4.534 8.818 -10.370 1.00 . A A . 25 GLY HA3 1 1 28 33379 1 1 25 GLY N N -3.940 6.803 -10.175 1.00 . A A . 25 GLY N 1 1 28 33380 1 1 25 GLY O O -1.349 8.604 -10.540 1.00 . A A . 25 GLY O 1 1 28 33381 1 1 26 CYS C C -1.998 10.185 -6.590 1.00 . A A . 26 CYS C 1 1 28 33382 1 1 26 CYS CA C -1.453 9.714 -7.935 1.00 . A A . 26 CYS CA 1 1 28 33383 1 1 26 CYS CB C -0.800 10.879 -8.666 1.00 . A A . 26 CYS CB 1 1 28 33384 1 1 26 CYS H H -3.502 9.129 -8.320 1.00 . A A . 26 CYS H 1 1 28 33385 1 1 26 CYS HA H -0.737 8.918 -7.746 1.00 . A A . 26 CYS HA 1 1 28 33386 1 1 26 CYS HB2 H -0.796 10.767 -9.746 1.00 . A A . 26 CYS HB2 1 1 28 33387 1 1 26 CYS HB3 H -1.329 11.808 -8.453 1.00 . A A . 26 CYS HB3 1 1 28 33388 1 1 26 CYS N N -2.556 9.146 -8.719 1.00 . A A . 26 CYS N 1 1 28 33389 1 1 26 CYS O O -1.542 9.779 -5.518 1.00 . A A . 26 CYS O 1 1 28 33390 1 1 26 CYS SG S 0.917 11.075 -8.148 1.00 . A A . 26 CYS SG 1 1 28 33391 1 1 27 ASP C C -4.258 10.337 -4.677 1.00 . A A . 27 ASP C 1 1 28 33392 1 1 27 ASP CA C -4.030 11.408 -5.736 1.00 . A A . 27 ASP CA 1 1 28 33393 1 1 27 ASP CB C -5.346 11.693 -6.482 1.00 . A A . 27 ASP CB 1 1 28 33394 1 1 27 ASP CG C -5.885 10.506 -7.295 1.00 . A A . 27 ASP CG 1 1 28 33395 1 1 27 ASP H H -3.430 10.949 -7.667 1.00 . A A . 27 ASP H 1 1 28 33396 1 1 27 ASP HA H -3.682 12.322 -5.255 1.00 . A A . 27 ASP HA 1 1 28 33397 1 1 27 ASP HB2 H -6.091 11.982 -5.738 1.00 . A A . 27 ASP HB2 1 1 28 33398 1 1 27 ASP HB3 H -5.199 12.534 -7.158 1.00 . A A . 27 ASP HB3 1 1 28 33399 1 1 27 ASP N N -3.054 10.983 -6.726 1.00 . A A . 27 ASP N 1 1 28 33400 1 1 27 ASP O O -4.277 10.623 -3.483 1.00 . A A . 27 ASP O 1 1 28 33401 1 1 27 ASP OD1 O -5.051 9.670 -7.734 1.00 . A A . 27 ASP OD1 1 1 28 33402 1 1 27 ASP OD2 O -7.119 10.451 -7.458 1.00 . A A . 27 ASP OD2 1 1 28 33403 1 1 28 ALA C C -3.706 7.876 -3.115 1.00 . A A . 28 ALA C 1 1 28 33404 1 1 28 ALA CA C -4.534 7.870 -4.401 1.00 . A A . 28 ALA CA 1 1 28 33405 1 1 28 ALA CB C -4.090 6.725 -5.311 1.00 . A A . 28 ALA CB 1 1 28 33406 1 1 28 ALA H H -4.435 9.048 -6.169 1.00 . A A . 28 ALA H 1 1 28 33407 1 1 28 ALA HA H -5.585 7.739 -4.149 1.00 . A A . 28 ALA HA 1 1 28 33408 1 1 28 ALA HB1 H -4.757 6.682 -6.170 1.00 . A A . 28 ALA HB1 1 1 28 33409 1 1 28 ALA HB2 H -3.072 6.897 -5.658 1.00 . A A . 28 ALA HB2 1 1 28 33410 1 1 28 ALA HB3 H -4.123 5.780 -4.773 1.00 . A A . 28 ALA HB3 1 1 28 33411 1 1 28 ALA N N -4.407 9.101 -5.153 1.00 . A A . 28 ALA N 1 1 28 33412 1 1 28 ALA O O -4.181 7.408 -2.082 1.00 . A A . 28 ALA O 1 1 28 33413 1 1 29 CYS C C -0.880 9.747 -1.887 1.00 . A A . 29 CYS C 1 1 28 33414 1 1 29 CYS CA C -1.519 8.371 -2.100 1.00 . A A . 29 CYS CA 1 1 28 33415 1 1 29 CYS CB C -0.461 7.333 -2.346 1.00 . A A . 29 CYS CB 1 1 28 33416 1 1 29 CYS H H -2.175 8.722 -4.111 1.00 . A A . 29 CYS H 1 1 28 33417 1 1 29 CYS HA H -2.028 8.111 -1.170 1.00 . A A . 29 CYS HA 1 1 28 33418 1 1 29 CYS HB2 H 0.148 7.669 -3.184 1.00 . A A . 29 CYS HB2 1 1 28 33419 1 1 29 CYS HB3 H 0.166 7.238 -1.462 1.00 . A A . 29 CYS HB3 1 1 28 33420 1 1 29 CYS N N -2.467 8.364 -3.207 1.00 . A A . 29 CYS N 1 1 28 33421 1 1 29 CYS O O -0.605 10.115 -0.746 1.00 . A A . 29 CYS O 1 1 28 33422 1 1 29 CYS SG S -1.203 5.710 -2.714 1.00 . A A . 29 CYS SG 1 1 28 33423 1 1 30 HIS C C -0.897 12.847 -3.429 1.00 . A A . 30 HIS C 1 1 28 33424 1 1 30 HIS CA C 0.055 11.794 -2.883 1.00 . A A . 30 HIS CA 1 1 28 33425 1 1 30 HIS CB C 1.346 11.799 -3.691 1.00 . A A . 30 HIS CB 1 1 28 33426 1 1 30 HIS CD2 C 2.612 9.664 -4.053 1.00 . A A . 30 HIS CD2 1 1 28 33427 1 1 30 HIS CE1 C 4.208 9.838 -2.580 1.00 . A A . 30 HIS CE1 1 1 28 33428 1 1 30 HIS CG C 2.328 10.739 -3.279 1.00 . A A . 30 HIS CG 1 1 28 33429 1 1 30 HIS H H -0.918 10.203 -3.879 1.00 . A A . 30 HIS H 1 1 28 33430 1 1 30 HIS HA H 0.337 12.047 -1.860 1.00 . A A . 30 HIS HA 1 1 28 33431 1 1 30 HIS HB2 H 1.090 11.648 -4.742 1.00 . A A . 30 HIS HB2 1 1 28 33432 1 1 30 HIS HB3 H 1.799 12.787 -3.617 1.00 . A A . 30 HIS HB3 1 1 28 33433 1 1 30 HIS HD1 H 3.414 11.564 -1.636 1.00 . A A . 30 HIS HD1 1 1 28 33434 1 1 30 HIS HD2 H 2.081 9.359 -4.931 1.00 . A A . 30 HIS HD2 1 1 28 33435 1 1 30 HIS HE1 H 5.151 9.669 -2.087 1.00 . A A . 30 HIS HE1 1 1 28 33436 1 1 30 HIS N N -0.602 10.497 -2.960 1.00 . A A . 30 HIS N 1 1 28 33437 1 1 30 HIS ND1 N 3.318 10.827 -2.325 1.00 . A A . 30 HIS ND1 1 1 28 33438 1 1 30 HIS NE2 N 3.811 9.114 -3.635 1.00 . A A . 30 HIS NE2 1 1 28 33439 1 1 30 HIS O O -1.078 12.958 -4.638 1.00 . A A . 30 HIS O 1 1 28 33440 1 1 31 GLU C C -1.676 15.806 -3.593 1.00 . A A . 31 GLU C 1 1 28 33441 1 1 31 GLU CA C -2.424 14.679 -2.896 1.00 . A A . 31 GLU CA 1 1 28 33442 1 1 31 GLU CB C -3.134 15.215 -1.646 1.00 . A A . 31 GLU CB 1 1 28 33443 1 1 31 GLU CD C -4.722 14.523 0.187 1.00 . A A . 31 GLU CD 1 1 28 33444 1 1 31 GLU CG C -3.661 14.057 -0.803 1.00 . A A . 31 GLU CG 1 1 28 33445 1 1 31 GLU H H -1.236 13.470 -1.559 1.00 . A A . 31 GLU H 1 1 28 33446 1 1 31 GLU HA H -3.171 14.267 -3.578 1.00 . A A . 31 GLU HA 1 1 28 33447 1 1 31 GLU HB2 H -2.483 15.824 -1.018 1.00 . A A . 31 GLU HB2 1 1 28 33448 1 1 31 GLU HB3 H -3.974 15.832 -1.967 1.00 . A A . 31 GLU HB3 1 1 28 33449 1 1 31 GLU HG2 H -4.070 13.336 -1.505 1.00 . A A . 31 GLU HG2 1 1 28 33450 1 1 31 GLU HG3 H -2.860 13.583 -0.238 1.00 . A A . 31 GLU HG3 1 1 28 33451 1 1 31 GLU N N -1.478 13.631 -2.526 1.00 . A A . 31 GLU N 1 1 28 33452 1 1 31 GLU O O -1.995 16.222 -4.703 1.00 . A A . 31 GLU O 1 1 28 33453 1 1 31 GLU OE1 O -4.541 15.640 0.719 1.00 . A A . 31 GLU OE1 1 1 28 33454 1 1 31 GLU OE2 O -5.690 13.762 0.393 1.00 . A A . 31 GLU OE2 1 1 28 33455 1 1 32 GLY C C 1.668 16.749 -3.386 1.00 . A A . 32 GLY C 1 1 28 33456 1 1 32 GLY CA C 0.256 17.319 -3.305 1.00 . A A . 32 GLY CA 1 1 28 33457 1 1 32 GLY H H -0.544 15.837 -1.978 1.00 . A A . 32 GLY H 1 1 28 33458 1 1 32 GLY HA2 H -0.018 17.716 -4.283 1.00 . A A . 32 GLY HA2 1 1 28 33459 1 1 32 GLY HA3 H 0.222 18.133 -2.578 1.00 . A A . 32 GLY HA3 1 1 28 33460 1 1 32 GLY N N -0.671 16.291 -2.871 1.00 . A A . 32 GLY N 1 1 28 33461 1 1 32 GLY O O 1.863 15.605 -3.797 1.00 . A A . 32 GLY O 1 1 28 33462 1 1 33 THR C C 4.317 15.826 -2.451 1.00 . A A . 33 THR C 1 1 28 33463 1 1 33 THR CA C 4.070 17.244 -2.982 1.00 . A A . 33 THR CA 1 1 28 33464 1 1 33 THR CB C 4.766 18.294 -2.105 1.00 . A A . 33 THR CB 1 1 28 33465 1 1 33 THR CG2 C 6.265 18.369 -2.404 1.00 . A A . 33 THR CG2 1 1 28 33466 1 1 33 THR H H 2.426 18.485 -2.648 1.00 . A A . 33 THR H 1 1 28 33467 1 1 33 THR HA H 4.416 17.364 -4.008 1.00 . A A . 33 THR HA 1 1 28 33468 1 1 33 THR HB H 4.620 18.047 -1.050 1.00 . A A . 33 THR HB 1 1 28 33469 1 1 33 THR HG1 H 4.581 20.211 -1.781 1.00 . A A . 33 THR HG1 1 1 28 33470 1 1 33 THR HG21 H 6.425 18.666 -3.442 1.00 . A A . 33 THR HG21 1 1 28 33471 1 1 33 THR HG22 H 6.736 19.102 -1.749 1.00 . A A . 33 THR HG22 1 1 28 33472 1 1 33 THR HG23 H 6.730 17.397 -2.234 1.00 . A A . 33 THR HG23 1 1 28 33473 1 1 33 THR N N 2.650 17.557 -2.980 1.00 . A A . 33 THR N 1 1 28 33474 1 1 33 THR O O 3.998 15.565 -1.292 1.00 . A A . 33 THR O 1 1 28 33475 1 1 33 THR OG1 O 4.170 19.556 -2.352 1.00 . A A . 33 THR OG1 1 1 28 33476 1 1 34 PRO C C 5.767 13.203 -1.718 1.00 . A A . 34 PRO C 1 1 28 33477 1 1 34 PRO CA C 4.845 13.494 -2.900 1.00 . A A . 34 PRO CA 1 1 28 33478 1 1 34 PRO CB C 5.202 12.705 -4.158 1.00 . A A . 34 PRO CB 1 1 28 33479 1 1 34 PRO CD C 5.263 15.062 -4.643 1.00 . A A . 34 PRO CD 1 1 28 33480 1 1 34 PRO CG C 5.908 13.731 -5.032 1.00 . A A . 34 PRO CG 1 1 28 33481 1 1 34 PRO HA H 3.826 13.246 -2.633 1.00 . A A . 34 PRO HA 1 1 28 33482 1 1 34 PRO HB2 H 5.829 11.841 -3.939 1.00 . A A . 34 PRO HB2 1 1 28 33483 1 1 34 PRO HB3 H 4.288 12.381 -4.659 1.00 . A A . 34 PRO HB3 1 1 28 33484 1 1 34 PRO HD2 H 5.982 15.875 -4.764 1.00 . A A . 34 PRO HD2 1 1 28 33485 1 1 34 PRO HD3 H 4.382 15.239 -5.263 1.00 . A A . 34 PRO HD3 1 1 28 33486 1 1 34 PRO HG2 H 6.960 13.739 -4.760 1.00 . A A . 34 PRO HG2 1 1 28 33487 1 1 34 PRO HG3 H 5.773 13.500 -6.086 1.00 . A A . 34 PRO HG3 1 1 28 33488 1 1 34 PRO N N 4.847 14.896 -3.263 1.00 . A A . 34 PRO N 1 1 28 33489 1 1 34 PRO O O 5.333 12.554 -0.769 1.00 . A A . 34 PRO O 1 1 28 33490 1 1 35 ALA C C 8.207 12.494 0.111 1.00 . A A . 35 ALA C 1 1 28 33491 1 1 35 ALA CA C 8.035 13.755 -0.751 1.00 . A A . 35 ALA CA 1 1 28 33492 1 1 35 ALA CB C 7.763 14.993 0.110 1.00 . A A . 35 ALA CB 1 1 28 33493 1 1 35 ALA H H 7.250 14.151 -2.667 1.00 . A A . 35 ALA H 1 1 28 33494 1 1 35 ALA HA H 8.993 13.912 -1.249 1.00 . A A . 35 ALA HA 1 1 28 33495 1 1 35 ALA HB1 H 8.580 15.142 0.817 1.00 . A A . 35 ALA HB1 1 1 28 33496 1 1 35 ALA HB2 H 7.687 15.875 -0.524 1.00 . A A . 35 ALA HB2 1 1 28 33497 1 1 35 ALA HB3 H 6.831 14.863 0.661 1.00 . A A . 35 ALA HB3 1 1 28 33498 1 1 35 ALA N N 7.021 13.674 -1.809 1.00 . A A . 35 ALA N 1 1 28 33499 1 1 35 ALA O O 8.689 12.591 1.236 1.00 . A A . 35 ALA O 1 1 28 33500 1 1 36 LYS C C 6.866 9.967 1.415 1.00 . A A . 36 LYS C 1 1 28 33501 1 1 36 LYS CA C 7.741 10.023 0.159 1.00 . A A . 36 LYS CA 1 1 28 33502 1 1 36 LYS CB C 9.084 9.314 0.312 1.00 . A A . 36 LYS CB 1 1 28 33503 1 1 36 LYS CD C 11.110 8.917 1.692 1.00 . A A . 36 LYS CD 1 1 28 33504 1 1 36 LYS CE C 10.484 8.026 2.781 1.00 . A A . 36 LYS CE 1 1 28 33505 1 1 36 LYS CG C 10.093 9.976 1.254 1.00 . A A . 36 LYS CG 1 1 28 33506 1 1 36 LYS H H 7.567 11.383 -1.406 1.00 . A A . 36 LYS H 1 1 28 33507 1 1 36 LYS HA H 7.200 9.444 -0.591 1.00 . A A . 36 LYS HA 1 1 28 33508 1 1 36 LYS HB2 H 8.851 8.326 0.681 1.00 . A A . 36 LYS HB2 1 1 28 33509 1 1 36 LYS HB3 H 9.547 9.197 -0.666 1.00 . A A . 36 LYS HB3 1 1 28 33510 1 1 36 LYS HD2 H 11.400 8.342 0.808 1.00 . A A . 36 LYS HD2 1 1 28 33511 1 1 36 LYS HD3 H 12.002 9.412 2.081 1.00 . A A . 36 LYS HD3 1 1 28 33512 1 1 36 LYS HE2 H 10.559 8.544 3.733 1.00 . A A . 36 LYS HE2 1 1 28 33513 1 1 36 LYS HE3 H 9.421 7.874 2.609 1.00 . A A . 36 LYS HE3 1 1 28 33514 1 1 36 LYS HG2 H 10.598 10.767 0.699 1.00 . A A . 36 LYS HG2 1 1 28 33515 1 1 36 LYS HG3 H 9.602 10.411 2.126 1.00 . A A . 36 LYS HG3 1 1 28 33516 1 1 36 LYS HZ1 H 11.912 6.586 3.361 1.00 . A A . 36 LYS HZ1 1 1 28 33517 1 1 36 LYS HZ2 H 10.343 6.013 3.134 1.00 . A A . 36 LYS HZ2 1 1 28 33518 1 1 36 LYS HZ3 H 11.203 6.299 1.876 1.00 . A A . 36 LYS HZ3 1 1 28 33519 1 1 36 LYS N N 7.866 11.332 -0.452 1.00 . A A . 36 LYS N 1 1 28 33520 1 1 36 LYS NZ N 11.067 6.670 2.821 1.00 . A A . 36 LYS NZ 1 1 28 33521 1 1 36 LYS O O 6.751 10.920 2.179 1.00 . A A . 36 LYS O 1 1 28 33522 1 1 37 ILE C C 5.567 7.976 3.833 1.00 . A A . 37 ILE C 1 1 28 33523 1 1 37 ILE CA C 5.119 8.707 2.573 1.00 . A A . 37 ILE CA 1 1 28 33524 1 1 37 ILE CB C 3.900 8.017 1.941 1.00 . A A . 37 ILE CB 1 1 28 33525 1 1 37 ILE CD1 C 2.413 7.975 -0.144 1.00 . A A . 37 ILE CD1 1 1 28 33526 1 1 37 ILE CG1 C 3.722 8.458 0.483 1.00 . A A . 37 ILE CG1 1 1 28 33527 1 1 37 ILE CG2 C 2.648 8.324 2.776 1.00 . A A . 37 ILE CG2 1 1 28 33528 1 1 37 ILE H H 6.366 8.070 0.941 1.00 . A A . 37 ILE H 1 1 28 33529 1 1 37 ILE HA H 4.803 9.700 2.880 1.00 . A A . 37 ILE HA 1 1 28 33530 1 1 37 ILE HB H 4.074 6.943 1.938 1.00 . A A . 37 ILE HB 1 1 28 33531 1 1 37 ILE HD11 H 2.441 8.149 -1.219 1.00 . A A . 37 ILE HD11 1 1 28 33532 1 1 37 ILE HD12 H 2.278 6.909 0.039 1.00 . A A . 37 ILE HD12 1 1 28 33533 1 1 37 ILE HD13 H 1.569 8.528 0.268 1.00 . A A . 37 ILE HD13 1 1 28 33534 1 1 37 ILE HG12 H 3.766 9.546 0.420 1.00 . A A . 37 ILE HG12 1 1 28 33535 1 1 37 ILE HG13 H 4.548 8.031 -0.086 1.00 . A A . 37 ILE HG13 1 1 28 33536 1 1 37 ILE HG21 H 1.795 7.759 2.403 1.00 . A A . 37 ILE HG21 1 1 28 33537 1 1 37 ILE HG22 H 2.807 8.048 3.817 1.00 . A A . 37 ILE HG22 1 1 28 33538 1 1 37 ILE HG23 H 2.416 9.389 2.723 1.00 . A A . 37 ILE HG23 1 1 28 33539 1 1 37 ILE N N 6.209 8.821 1.603 1.00 . A A . 37 ILE N 1 1 28 33540 1 1 37 ILE O O 5.190 8.343 4.942 1.00 . A A . 37 ILE O 1 1 28 33541 1 1 38 ALA C C 5.424 5.237 5.140 1.00 . A A . 38 ALA C 1 1 28 33542 1 1 38 ALA CA C 6.696 5.923 4.634 1.00 . A A . 38 ALA CA 1 1 28 33543 1 1 38 ALA CB C 7.553 6.547 5.740 1.00 . A A . 38 ALA CB 1 1 28 33544 1 1 38 ALA H H 6.585 6.737 2.666 1.00 . A A . 38 ALA H 1 1 28 33545 1 1 38 ALA HA H 7.309 5.158 4.156 1.00 . A A . 38 ALA HA 1 1 28 33546 1 1 38 ALA HB1 H 8.408 7.041 5.278 1.00 . A A . 38 ALA HB1 1 1 28 33547 1 1 38 ALA HB2 H 6.985 7.270 6.321 1.00 . A A . 38 ALA HB2 1 1 28 33548 1 1 38 ALA HB3 H 7.912 5.762 6.406 1.00 . A A . 38 ALA HB3 1 1 28 33549 1 1 38 ALA N N 6.342 6.912 3.624 1.00 . A A . 38 ALA N 1 1 28 33550 1 1 38 ALA O O 4.927 5.500 6.240 1.00 . A A . 38 ALA O 1 1 28 33551 1 1 39 ILE C C 4.265 2.345 5.414 1.00 . A A . 39 ILE C 1 1 28 33552 1 1 39 ILE CA C 3.727 3.558 4.676 1.00 . A A . 39 ILE CA 1 1 28 33553 1 1 39 ILE CB C 2.816 3.231 3.498 1.00 . A A . 39 ILE CB 1 1 28 33554 1 1 39 ILE CD1 C 1.333 5.305 3.971 1.00 . A A . 39 ILE CD1 1 1 28 33555 1 1 39 ILE CG1 C 2.170 4.513 2.960 1.00 . A A . 39 ILE CG1 1 1 28 33556 1 1 39 ILE CG2 C 1.729 2.246 3.936 1.00 . A A . 39 ILE CG2 1 1 28 33557 1 1 39 ILE H H 5.355 4.128 3.439 1.00 . A A . 39 ILE H 1 1 28 33558 1 1 39 ILE HA H 3.108 4.109 5.377 1.00 . A A . 39 ILE HA 1 1 28 33559 1 1 39 ILE HB H 3.395 2.777 2.697 1.00 . A A . 39 ILE HB 1 1 28 33560 1 1 39 ILE HD11 H 0.704 4.636 4.550 1.00 . A A . 39 ILE HD11 1 1 28 33561 1 1 39 ILE HD12 H 1.977 5.870 4.645 1.00 . A A . 39 ILE HD12 1 1 28 33562 1 1 39 ILE HD13 H 0.690 6.004 3.437 1.00 . A A . 39 ILE HD13 1 1 28 33563 1 1 39 ILE HG12 H 2.933 5.165 2.547 1.00 . A A . 39 ILE HG12 1 1 28 33564 1 1 39 ILE HG13 H 1.518 4.201 2.159 1.00 . A A . 39 ILE HG13 1 1 28 33565 1 1 39 ILE HG21 H 2.126 1.231 3.909 1.00 . A A . 39 ILE HG21 1 1 28 33566 1 1 39 ILE HG22 H 1.397 2.475 4.947 1.00 . A A . 39 ILE HG22 1 1 28 33567 1 1 39 ILE HG23 H 0.874 2.305 3.267 1.00 . A A . 39 ILE HG23 1 1 28 33568 1 1 39 ILE N N 4.859 4.375 4.287 1.00 . A A . 39 ILE N 1 1 28 33569 1 1 39 ILE O O 4.497 1.281 4.845 1.00 . A A . 39 ILE O 1 1 28 33570 1 1 40 ASP C C 3.834 0.931 8.316 1.00 . A A . 40 ASP C 1 1 28 33571 1 1 40 ASP CA C 5.009 1.635 7.658 1.00 . A A . 40 ASP CA 1 1 28 33572 1 1 40 ASP CB C 5.792 2.392 8.741 1.00 . A A . 40 ASP CB 1 1 28 33573 1 1 40 ASP CG C 6.815 3.399 8.233 1.00 . A A . 40 ASP CG 1 1 28 33574 1 1 40 ASP H H 4.030 3.431 7.034 1.00 . A A . 40 ASP H 1 1 28 33575 1 1 40 ASP HA H 5.664 0.923 7.151 1.00 . A A . 40 ASP HA 1 1 28 33576 1 1 40 ASP HB2 H 5.075 2.936 9.350 1.00 . A A . 40 ASP HB2 1 1 28 33577 1 1 40 ASP HB3 H 6.316 1.669 9.367 1.00 . A A . 40 ASP HB3 1 1 28 33578 1 1 40 ASP N N 4.443 2.569 6.705 1.00 . A A . 40 ASP N 1 1 28 33579 1 1 40 ASP O O 2.703 1.399 8.186 1.00 . A A . 40 ASP O 1 1 28 33580 1 1 40 ASP OD1 O 7.286 3.281 7.086 1.00 . A A . 40 ASP OD1 1 1 28 33581 1 1 40 ASP OD2 O 7.076 4.320 9.040 1.00 . A A . 40 ASP OD2 1 1 28 33582 1 1 41 LYS C C 2.043 0.148 10.482 1.00 . A A . 41 LYS C 1 1 28 33583 1 1 41 LYS CA C 3.059 -0.822 9.861 1.00 . A A . 41 LYS CA 1 1 28 33584 1 1 41 LYS CB C 3.726 -1.732 10.904 1.00 . A A . 41 LYS CB 1 1 28 33585 1 1 41 LYS CD C 4.507 -1.149 13.237 1.00 . A A . 41 LYS CD 1 1 28 33586 1 1 41 LYS CE C 5.696 -0.648 14.068 1.00 . A A . 41 LYS CE 1 1 28 33587 1 1 41 LYS CG C 4.856 -1.111 11.744 1.00 . A A . 41 LYS CG 1 1 28 33588 1 1 41 LYS H H 5.022 -0.502 9.117 1.00 . A A . 41 LYS H 1 1 28 33589 1 1 41 LYS HA H 2.512 -1.472 9.178 1.00 . A A . 41 LYS HA 1 1 28 33590 1 1 41 LYS HB2 H 2.948 -2.139 11.538 1.00 . A A . 41 LYS HB2 1 1 28 33591 1 1 41 LYS HB3 H 4.165 -2.575 10.382 1.00 . A A . 41 LYS HB3 1 1 28 33592 1 1 41 LYS HD2 H 3.624 -0.530 13.412 1.00 . A A . 41 LYS HD2 1 1 28 33593 1 1 41 LYS HD3 H 4.277 -2.183 13.506 1.00 . A A . 41 LYS HD3 1 1 28 33594 1 1 41 LYS HE2 H 6.579 -1.241 13.820 1.00 . A A . 41 LYS HE2 1 1 28 33595 1 1 41 LYS HE3 H 5.900 0.395 13.816 1.00 . A A . 41 LYS HE3 1 1 28 33596 1 1 41 LYS HG2 H 5.755 -1.711 11.577 1.00 . A A . 41 LYS HG2 1 1 28 33597 1 1 41 LYS HG3 H 5.088 -0.093 11.435 1.00 . A A . 41 LYS HG3 1 1 28 33598 1 1 41 LYS HZ1 H 6.251 -0.426 16.031 1.00 . A A . 41 LYS HZ1 1 1 28 33599 1 1 41 LYS HZ2 H 4.639 -0.210 15.782 1.00 . A A . 41 LYS HZ2 1 1 28 33600 1 1 41 LYS HZ3 H 5.284 -1.728 15.768 1.00 . A A . 41 LYS HZ3 1 1 28 33601 1 1 41 LYS N N 4.083 -0.125 9.095 1.00 . A A . 41 LYS N 1 1 28 33602 1 1 41 LYS NZ N 5.445 -0.761 15.519 1.00 . A A . 41 LYS NZ 1 1 28 33603 1 1 41 LYS O O 0.836 0.007 10.286 1.00 . A A . 41 LYS O 1 1 28 33604 1 1 42 LYS C C 0.698 2.831 10.956 1.00 . A A . 42 LYS C 1 1 28 33605 1 1 42 LYS CA C 1.750 2.176 11.862 1.00 . A A . 42 LYS CA 1 1 28 33606 1 1 42 LYS CB C 2.636 3.225 12.558 1.00 . A A . 42 LYS CB 1 1 28 33607 1 1 42 LYS CD C 4.279 5.108 12.405 1.00 . A A . 42 LYS CD 1 1 28 33608 1 1 42 LYS CE C 5.710 5.526 12.022 1.00 . A A . 42 LYS CE 1 1 28 33609 1 1 42 LYS CG C 3.761 3.839 11.705 1.00 . A A . 42 LYS CG 1 1 28 33610 1 1 42 LYS H H 3.556 1.217 11.236 1.00 . A A . 42 LYS H 1 1 28 33611 1 1 42 LYS HA H 1.193 1.667 12.650 1.00 . A A . 42 LYS HA 1 1 28 33612 1 1 42 LYS HB2 H 1.981 4.024 12.910 1.00 . A A . 42 LYS HB2 1 1 28 33613 1 1 42 LYS HB3 H 3.093 2.760 13.433 1.00 . A A . 42 LYS HB3 1 1 28 33614 1 1 42 LYS HD2 H 3.583 5.929 12.219 1.00 . A A . 42 LYS HD2 1 1 28 33615 1 1 42 LYS HD3 H 4.287 4.926 13.482 1.00 . A A . 42 LYS HD3 1 1 28 33616 1 1 42 LYS HE2 H 5.974 6.403 12.616 1.00 . A A . 42 LYS HE2 1 1 28 33617 1 1 42 LYS HE3 H 6.408 4.726 12.273 1.00 . A A . 42 LYS HE3 1 1 28 33618 1 1 42 LYS HG2 H 4.567 3.110 11.615 1.00 . A A . 42 LYS HG2 1 1 28 33619 1 1 42 LYS HG3 H 3.387 4.094 10.711 1.00 . A A . 42 LYS HG3 1 1 28 33620 1 1 42 LYS HZ1 H 5.165 6.488 10.237 1.00 . A A . 42 LYS HZ1 1 1 28 33621 1 1 42 LYS HZ2 H 6.787 6.274 10.432 1.00 . A A . 42 LYS HZ2 1 1 28 33622 1 1 42 LYS HZ3 H 5.929 5.032 10.010 1.00 . A A . 42 LYS HZ3 1 1 28 33623 1 1 42 LYS N N 2.553 1.162 11.191 1.00 . A A . 42 LYS N 1 1 28 33624 1 1 42 LYS NZ N 5.875 5.870 10.593 1.00 . A A . 42 LYS NZ 1 1 28 33625 1 1 42 LYS O O -0.397 3.130 11.424 1.00 . A A . 42 LYS O 1 1 28 33626 1 1 43 SER C C -0.628 2.669 7.946 1.00 . A A . 43 SER C 1 1 28 33627 1 1 43 SER CA C 0.120 3.731 8.747 1.00 . A A . 43 SER CA 1 1 28 33628 1 1 43 SER CB C 0.930 4.673 7.851 1.00 . A A . 43 SER CB 1 1 28 33629 1 1 43 SER H H 1.908 2.772 9.302 1.00 . A A . 43 SER H 1 1 28 33630 1 1 43 SER HA H -0.625 4.333 9.270 1.00 . A A . 43 SER HA 1 1 28 33631 1 1 43 SER HB2 H 0.467 4.725 6.865 1.00 . A A . 43 SER HB2 1 1 28 33632 1 1 43 SER HB3 H 0.881 5.655 8.311 1.00 . A A . 43 SER HB3 1 1 28 33633 1 1 43 SER HG H 2.790 5.003 7.319 1.00 . A A . 43 SER HG 1 1 28 33634 1 1 43 SER N N 1.022 3.089 9.689 1.00 . A A . 43 SER N 1 1 28 33635 1 1 43 SER O O -1.859 2.624 7.958 1.00 . A A . 43 SER O 1 1 28 33636 1 1 43 SER OG O 2.298 4.294 7.754 1.00 . A A . 43 SER OG 1 1 28 33637 1 1 44 ALA C C -1.509 -0.036 7.037 1.00 . A A . 44 ALA C 1 1 28 33638 1 1 44 ALA CA C -0.268 0.658 6.491 1.00 . A A . 44 ALA CA 1 1 28 33639 1 1 44 ALA CB C 0.882 -0.345 6.488 1.00 . A A . 44 ALA CB 1 1 28 33640 1 1 44 ALA H H 1.145 1.939 7.389 1.00 . A A . 44 ALA H 1 1 28 33641 1 1 44 ALA HA H -0.459 0.956 5.464 1.00 . A A . 44 ALA HA 1 1 28 33642 1 1 44 ALA HB1 H 0.523 -1.261 6.030 1.00 . A A . 44 ALA HB1 1 1 28 33643 1 1 44 ALA HB2 H 1.739 0.052 5.942 1.00 . A A . 44 ALA HB2 1 1 28 33644 1 1 44 ALA HB3 H 1.184 -0.576 7.506 1.00 . A A . 44 ALA HB3 1 1 28 33645 1 1 44 ALA N N 0.144 1.811 7.277 1.00 . A A . 44 ALA N 1 1 28 33646 1 1 44 ALA O O -2.471 -0.268 6.301 1.00 . A A . 44 ALA O 1 1 28 33647 1 1 45 HIS C C -3.582 -0.364 9.559 1.00 . A A . 45 HIS C 1 1 28 33648 1 1 45 HIS CA C -2.461 -1.220 8.965 1.00 . A A . 45 HIS CA 1 1 28 33649 1 1 45 HIS CB C -1.830 -2.121 10.038 1.00 . A A . 45 HIS CB 1 1 28 33650 1 1 45 HIS CD2 C -0.748 -3.962 8.579 1.00 . A A . 45 HIS CD2 1 1 28 33651 1 1 45 HIS CE1 C -1.438 -5.719 9.685 1.00 . A A . 45 HIS CE1 1 1 28 33652 1 1 45 HIS CG C -1.569 -3.538 9.595 1.00 . A A . 45 HIS CG 1 1 28 33653 1 1 45 HIS H H -0.636 -0.084 8.860 1.00 . A A . 45 HIS H 1 1 28 33654 1 1 45 HIS HA H -2.925 -1.872 8.225 1.00 . A A . 45 HIS HA 1 1 28 33655 1 1 45 HIS HB2 H -0.902 -1.692 10.409 1.00 . A A . 45 HIS HB2 1 1 28 33656 1 1 45 HIS HB3 H -2.510 -2.183 10.888 1.00 . A A . 45 HIS HB3 1 1 28 33657 1 1 45 HIS HD1 H -2.519 -4.656 11.138 1.00 . A A . 45 HIS HD1 1 1 28 33658 1 1 45 HIS HD2 H -0.191 -3.324 7.911 1.00 . A A . 45 HIS HD2 1 1 28 33659 1 1 45 HIS HE1 H -1.535 -6.723 10.059 1.00 . A A . 45 HIS HE1 1 1 28 33660 1 1 45 HIS N N -1.438 -0.407 8.318 1.00 . A A . 45 HIS N 1 1 28 33661 1 1 45 HIS ND1 N -1.987 -4.652 10.281 1.00 . A A . 45 HIS ND1 1 1 28 33662 1 1 45 HIS NE2 N -0.670 -5.362 8.643 1.00 . A A . 45 HIS NE2 1 1 28 33663 1 1 45 HIS O O -4.607 -0.916 9.953 1.00 . A A . 45 HIS O 1 1 28 33664 1 1 46 LYS C C -5.211 2.428 9.113 1.00 . A A . 46 LYS C 1 1 28 33665 1 1 46 LYS CA C -4.337 1.878 10.237 1.00 . A A . 46 LYS CA 1 1 28 33666 1 1 46 LYS CB C -3.563 2.962 11.011 1.00 . A A . 46 LYS CB 1 1 28 33667 1 1 46 LYS CD C -5.229 4.906 10.948 1.00 . A A . 46 LYS CD 1 1 28 33668 1 1 46 LYS CE C -5.897 6.037 11.738 1.00 . A A . 46 LYS CE 1 1 28 33669 1 1 46 LYS CG C -4.420 3.944 11.825 1.00 . A A . 46 LYS CG 1 1 28 33670 1 1 46 LYS H H -2.572 1.362 9.200 1.00 . A A . 46 LYS H 1 1 28 33671 1 1 46 LYS HA H -4.976 1.353 10.950 1.00 . A A . 46 LYS HA 1 1 28 33672 1 1 46 LYS HB2 H -2.922 2.442 11.724 1.00 . A A . 46 LYS HB2 1 1 28 33673 1 1 46 LYS HB3 H -2.915 3.523 10.337 1.00 . A A . 46 LYS HB3 1 1 28 33674 1 1 46 LYS HD2 H -4.565 5.330 10.192 1.00 . A A . 46 LYS HD2 1 1 28 33675 1 1 46 LYS HD3 H -6.031 4.352 10.463 1.00 . A A . 46 LYS HD3 1 1 28 33676 1 1 46 LYS HE2 H -6.516 5.599 12.524 1.00 . A A . 46 LYS HE2 1 1 28 33677 1 1 46 LYS HE3 H -5.137 6.672 12.196 1.00 . A A . 46 LYS HE3 1 1 28 33678 1 1 46 LYS HG2 H -5.087 3.383 12.481 1.00 . A A . 46 LYS HG2 1 1 28 33679 1 1 46 LYS HG3 H -3.731 4.528 12.437 1.00 . A A . 46 LYS HG3 1 1 28 33680 1 1 46 LYS HZ1 H -7.307 7.517 11.368 1.00 . A A . 46 LYS HZ1 1 1 28 33681 1 1 46 LYS HZ2 H -6.212 7.315 10.147 1.00 . A A . 46 LYS HZ2 1 1 28 33682 1 1 46 LYS HZ3 H -7.393 6.228 10.336 1.00 . A A . 46 LYS HZ3 1 1 28 33683 1 1 46 LYS N N -3.384 0.955 9.650 1.00 . A A . 46 LYS N 1 1 28 33684 1 1 46 LYS NZ N -6.760 6.845 10.851 1.00 . A A . 46 LYS NZ 1 1 28 33685 1 1 46 LYS O O -6.398 2.123 9.051 1.00 . A A . 46 LYS O 1 1 28 33686 1 1 47 ASP C C -4.234 4.155 6.044 1.00 . A A . 47 ASP C 1 1 28 33687 1 1 47 ASP CA C -5.286 3.865 7.106 1.00 . A A . 47 ASP CA 1 1 28 33688 1 1 47 ASP CB C -6.067 5.150 7.451 1.00 . A A . 47 ASP CB 1 1 28 33689 1 1 47 ASP CG C -7.508 4.914 7.890 1.00 . A A . 47 ASP CG 1 1 28 33690 1 1 47 ASP H H -3.614 3.369 8.323 1.00 . A A . 47 ASP H 1 1 28 33691 1 1 47 ASP HA H -5.980 3.143 6.689 1.00 . A A . 47 ASP HA 1 1 28 33692 1 1 47 ASP HB2 H -5.520 5.744 8.178 1.00 . A A . 47 ASP HB2 1 1 28 33693 1 1 47 ASP HB3 H -6.153 5.749 6.545 1.00 . A A . 47 ASP HB3 1 1 28 33694 1 1 47 ASP N N -4.622 3.264 8.254 1.00 . A A . 47 ASP N 1 1 28 33695 1 1 47 ASP O O -3.724 5.269 5.950 1.00 . A A . 47 ASP O 1 1 28 33696 1 1 47 ASP OD1 O -8.281 4.364 7.075 1.00 . A A . 47 ASP OD1 1 1 28 33697 1 1 47 ASP OD2 O -7.821 5.367 9.016 1.00 . A A . 47 ASP OD2 1 1 28 33698 1 1 48 ALA C C -3.542 2.128 3.075 1.00 . A A . 48 ALA C 1 1 28 33699 1 1 48 ALA CA C -3.270 3.345 3.951 1.00 . A A . 48 ALA CA 1 1 28 33700 1 1 48 ALA CB C -1.776 3.621 4.146 1.00 . A A . 48 ALA CB 1 1 28 33701 1 1 48 ALA H H -4.354 2.249 5.414 1.00 . A A . 48 ALA H 1 1 28 33702 1 1 48 ALA HA H -3.710 4.211 3.455 1.00 . A A . 48 ALA HA 1 1 28 33703 1 1 48 ALA HB1 H -1.272 3.610 3.179 1.00 . A A . 48 ALA HB1 1 1 28 33704 1 1 48 ALA HB2 H -1.646 4.606 4.594 1.00 . A A . 48 ALA HB2 1 1 28 33705 1 1 48 ALA HB3 H -1.324 2.883 4.805 1.00 . A A . 48 ALA HB3 1 1 28 33706 1 1 48 ALA N N -3.935 3.148 5.226 1.00 . A A . 48 ALA N 1 1 28 33707 1 1 48 ALA O O -4.448 2.148 2.243 1.00 . A A . 48 ALA O 1 1 28 33708 1 1 49 CYS C C -4.292 -0.831 3.023 1.00 . A A . 49 CYS C 1 1 28 33709 1 1 49 CYS CA C -3.004 -0.165 2.514 1.00 . A A . 49 CYS CA 1 1 28 33710 1 1 49 CYS CB C -1.799 -1.072 2.582 1.00 . A A . 49 CYS CB 1 1 28 33711 1 1 49 CYS H H -2.111 1.040 4.025 1.00 . A A . 49 CYS H 1 1 28 33712 1 1 49 CYS HA H -3.146 0.120 1.472 1.00 . A A . 49 CYS HA 1 1 28 33713 1 1 49 CYS HB2 H -1.853 -1.596 3.525 1.00 . A A . 49 CYS HB2 1 1 28 33714 1 1 49 CYS HB3 H -1.842 -1.817 1.790 1.00 . A A . 49 CYS HB3 1 1 28 33715 1 1 49 CYS N N -2.797 1.045 3.286 1.00 . A A . 49 CYS N 1 1 28 33716 1 1 49 CYS O O -5.253 -1.010 2.269 1.00 . A A . 49 CYS O 1 1 28 33717 1 1 49 CYS SG S -0.170 -0.242 2.620 1.00 . A A . 49 CYS SG 1 1 28 33718 1 1 50 LYS C C -6.591 -0.476 5.170 1.00 . A A . 50 LYS C 1 1 28 33719 1 1 50 LYS CA C -5.614 -1.626 4.919 1.00 . A A . 50 LYS CA 1 1 28 33720 1 1 50 LYS CB C -5.355 -2.414 6.209 1.00 . A A . 50 LYS CB 1 1 28 33721 1 1 50 LYS CD C -5.222 -4.867 6.796 1.00 . A A . 50 LYS CD 1 1 28 33722 1 1 50 LYS CE C -5.024 -4.599 8.294 1.00 . A A . 50 LYS CE 1 1 28 33723 1 1 50 LYS CG C -4.626 -3.737 5.947 1.00 . A A . 50 LYS CG 1 1 28 33724 1 1 50 LYS H H -3.585 -0.956 4.937 1.00 . A A . 50 LYS H 1 1 28 33725 1 1 50 LYS HA H -6.115 -2.305 4.227 1.00 . A A . 50 LYS HA 1 1 28 33726 1 1 50 LYS HB2 H -4.799 -1.799 6.917 1.00 . A A . 50 LYS HB2 1 1 28 33727 1 1 50 LYS HB3 H -6.331 -2.638 6.641 1.00 . A A . 50 LYS HB3 1 1 28 33728 1 1 50 LYS HD2 H -6.284 -4.950 6.555 1.00 . A A . 50 LYS HD2 1 1 28 33729 1 1 50 LYS HD3 H -4.732 -5.805 6.521 1.00 . A A . 50 LYS HD3 1 1 28 33730 1 1 50 LYS HE2 H -3.968 -4.736 8.523 1.00 . A A . 50 LYS HE2 1 1 28 33731 1 1 50 LYS HE3 H -5.297 -3.571 8.543 1.00 . A A . 50 LYS HE3 1 1 28 33732 1 1 50 LYS HG2 H -4.770 -4.003 4.904 1.00 . A A . 50 LYS HG2 1 1 28 33733 1 1 50 LYS HG3 H -3.554 -3.624 6.127 1.00 . A A . 50 LYS HG3 1 1 28 33734 1 1 50 LYS HZ1 H -6.822 -5.350 8.939 1.00 . A A . 50 LYS HZ1 1 1 28 33735 1 1 50 LYS HZ2 H -5.606 -6.465 8.941 1.00 . A A . 50 LYS HZ2 1 1 28 33736 1 1 50 LYS HZ3 H -5.672 -5.302 10.107 1.00 . A A . 50 LYS HZ3 1 1 28 33737 1 1 50 LYS N N -4.372 -1.147 4.321 1.00 . A A . 50 LYS N 1 1 28 33738 1 1 50 LYS NZ N -5.841 -5.501 9.131 1.00 . A A . 50 LYS NZ 1 1 28 33739 1 1 50 LYS O O -6.988 -0.227 6.304 1.00 . A A . 50 LYS O 1 1 28 33740 1 1 51 THR C C -8.796 1.071 2.680 1.00 . A A . 51 THR C 1 1 28 33741 1 1 51 THR CA C -8.256 0.967 4.102 1.00 . A A . 51 THR CA 1 1 28 33742 1 1 51 THR CB C -8.070 2.319 4.809 1.00 . A A . 51 THR CB 1 1 28 33743 1 1 51 THR CG2 C -7.219 3.320 4.026 1.00 . A A . 51 THR CG2 1 1 28 33744 1 1 51 THR H H -6.616 -0.093 3.208 1.00 . A A . 51 THR H 1 1 28 33745 1 1 51 THR HA H -8.998 0.411 4.679 1.00 . A A . 51 THR HA 1 1 28 33746 1 1 51 THR HB H -7.607 2.124 5.773 1.00 . A A . 51 THR HB 1 1 28 33747 1 1 51 THR HG1 H -9.133 3.537 5.836 1.00 . A A . 51 THR HG1 1 1 28 33748 1 1 51 THR HG21 H -6.258 2.876 3.789 1.00 . A A . 51 THR HG21 1 1 28 33749 1 1 51 THR HG22 H -7.721 3.618 3.105 1.00 . A A . 51 THR HG22 1 1 28 33750 1 1 51 THR HG23 H -7.058 4.212 4.632 1.00 . A A . 51 THR HG23 1 1 28 33751 1 1 51 THR N N -7.031 0.173 4.096 1.00 . A A . 51 THR N 1 1 28 33752 1 1 51 THR O O -9.992 0.912 2.462 1.00 . A A . 51 THR O 1 1 28 33753 1 1 51 THR OG1 O -9.310 2.919 5.101 1.00 . A A . 51 THR OG1 1 1 28 33754 1 1 52 CYS C C -9.034 -0.059 -0.076 1.00 . A A . 52 CYS C 1 1 28 33755 1 1 52 CYS CA C -8.317 1.238 0.296 1.00 . A A . 52 CYS CA 1 1 28 33756 1 1 52 CYS CB C -7.122 1.439 -0.594 1.00 . A A . 52 CYS CB 1 1 28 33757 1 1 52 CYS H H -6.942 1.447 1.910 1.00 . A A . 52 CYS H 1 1 28 33758 1 1 52 CYS HA H -9.028 2.049 0.127 1.00 . A A . 52 CYS HA 1 1 28 33759 1 1 52 CYS HB2 H -6.200 1.096 -0.121 1.00 . A A . 52 CYS HB2 1 1 28 33760 1 1 52 CYS HB3 H -7.269 0.853 -1.502 1.00 . A A . 52 CYS HB3 1 1 28 33761 1 1 52 CYS N N -7.914 1.259 1.693 1.00 . A A . 52 CYS N 1 1 28 33762 1 1 52 CYS O O -10.155 -0.019 -0.581 1.00 . A A . 52 CYS O 1 1 28 33763 1 1 52 CYS SG S -6.985 3.183 -1.069 1.00 . A A . 52 CYS SG 1 1 28 33764 1 1 53 HIS C C -10.012 -3.126 0.023 1.00 . A A . 53 HIS C 1 1 28 33765 1 1 53 HIS CA C -8.776 -2.433 -0.582 1.00 . A A . 53 HIS CA 1 1 28 33766 1 1 53 HIS CB C -7.605 -3.430 -0.688 1.00 . A A . 53 HIS CB 1 1 28 33767 1 1 53 HIS CD2 C -5.622 -2.723 -2.188 1.00 . A A . 53 HIS CD2 1 1 28 33768 1 1 53 HIS CE1 C -4.293 -1.942 -0.650 1.00 . A A . 53 HIS CE1 1 1 28 33769 1 1 53 HIS CG C -6.250 -2.844 -0.974 1.00 . A A . 53 HIS CG 1 1 28 33770 1 1 53 HIS H H -7.470 -1.164 0.540 1.00 . A A . 53 HIS H 1 1 28 33771 1 1 53 HIS HA H -9.017 -2.117 -1.594 1.00 . A A . 53 HIS HA 1 1 28 33772 1 1 53 HIS HB2 H -7.533 -3.991 0.243 1.00 . A A . 53 HIS HB2 1 1 28 33773 1 1 53 HIS HB3 H -7.851 -4.149 -1.472 1.00 . A A . 53 HIS HB3 1 1 28 33774 1 1 53 HIS HD1 H -5.565 -2.171 0.968 1.00 . A A . 53 HIS HD1 1 1 28 33775 1 1 53 HIS HD2 H -5.985 -3.008 -3.158 1.00 . A A . 53 HIS HD2 1 1 28 33776 1 1 53 HIS HE1 H -3.463 -1.470 -0.170 1.00 . A A . 53 HIS HE1 1 1 28 33777 1 1 53 HIS N N -8.387 -1.211 0.123 1.00 . A A . 53 HIS N 1 1 28 33778 1 1 53 HIS ND1 N -5.397 -2.356 -0.018 1.00 . A A . 53 HIS ND1 1 1 28 33779 1 1 53 HIS NE2 N -4.376 -2.131 -1.969 1.00 . A A . 53 HIS NE2 1 1 28 33780 1 1 53 HIS O O -10.047 -4.355 0.097 1.00 . A A . 53 HIS O 1 1 28 33781 1 1 54 LYS C C -13.018 -3.780 0.184 1.00 . A A . 54 LYS C 1 1 28 33782 1 1 54 LYS CA C -12.201 -2.903 1.133 1.00 . A A . 54 LYS CA 1 1 28 33783 1 1 54 LYS CB C -13.048 -1.750 1.682 1.00 . A A . 54 LYS CB 1 1 28 33784 1 1 54 LYS CD C -12.742 0.283 3.165 1.00 . A A . 54 LYS CD 1 1 28 33785 1 1 54 LYS CE C -14.224 0.515 3.480 1.00 . A A . 54 LYS CE 1 1 28 33786 1 1 54 LYS CG C -12.385 -1.187 2.943 1.00 . A A . 54 LYS CG 1 1 28 33787 1 1 54 LYS H H -10.925 -1.361 0.382 1.00 . A A . 54 LYS H 1 1 28 33788 1 1 54 LYS HA H -11.890 -3.510 1.980 1.00 . A A . 54 LYS HA 1 1 28 33789 1 1 54 LYS HB2 H -13.143 -0.981 0.913 1.00 . A A . 54 LYS HB2 1 1 28 33790 1 1 54 LYS HB3 H -14.045 -2.113 1.940 1.00 . A A . 54 LYS HB3 1 1 28 33791 1 1 54 LYS HD2 H -12.119 0.640 3.988 1.00 . A A . 54 LYS HD2 1 1 28 33792 1 1 54 LYS HD3 H -12.460 0.821 2.259 1.00 . A A . 54 LYS HD3 1 1 28 33793 1 1 54 LYS HE2 H -14.832 0.178 2.639 1.00 . A A . 54 LYS HE2 1 1 28 33794 1 1 54 LYS HE3 H -14.499 -0.063 4.364 1.00 . A A . 54 LYS HE3 1 1 28 33795 1 1 54 LYS HG2 H -12.661 -1.790 3.811 1.00 . A A . 54 LYS HG2 1 1 28 33796 1 1 54 LYS HG3 H -11.301 -1.239 2.833 1.00 . A A . 54 LYS HG3 1 1 28 33797 1 1 54 LYS HZ1 H -15.476 2.081 3.936 1.00 . A A . 54 LYS HZ1 1 1 28 33798 1 1 54 LYS HZ2 H -13.947 2.272 4.515 1.00 . A A . 54 LYS HZ2 1 1 28 33799 1 1 54 LYS HZ3 H -14.253 2.492 2.916 1.00 . A A . 54 LYS HZ3 1 1 28 33800 1 1 54 LYS N N -11.013 -2.368 0.481 1.00 . A A . 54 LYS N 1 1 28 33801 1 1 54 LYS NZ N -14.496 1.946 3.730 1.00 . A A . 54 LYS NZ 1 1 28 33802 1 1 54 LYS O O -13.343 -4.917 0.517 1.00 . A A . 54 LYS O 1 1 28 33803 1 1 55 SER C C -13.717 -3.738 -3.322 1.00 . A A . 55 SER C 1 1 28 33804 1 1 55 SER CA C -14.296 -3.877 -1.916 1.00 . A A . 55 SER CA 1 1 28 33805 1 1 55 SER CB C -15.705 -3.278 -1.776 1.00 . A A . 55 SER CB 1 1 28 33806 1 1 55 SER H H -13.049 -2.309 -1.201 1.00 . A A . 55 SER H 1 1 28 33807 1 1 55 SER HA H -14.369 -4.943 -1.695 1.00 . A A . 55 SER HA 1 1 28 33808 1 1 55 SER HB2 H -15.957 -3.185 -0.718 1.00 . A A . 55 SER HB2 1 1 28 33809 1 1 55 SER HB3 H -15.742 -2.287 -2.233 1.00 . A A . 55 SER HB3 1 1 28 33810 1 1 55 SER HG H -16.692 -4.961 -1.929 1.00 . A A . 55 SER HG 1 1 28 33811 1 1 55 SER N N -13.394 -3.230 -0.973 1.00 . A A . 55 SER N 1 1 28 33812 1 1 55 SER O O -14.170 -2.922 -4.119 1.00 . A A . 55 SER O 1 1 28 33813 1 1 55 SER OG O -16.673 -4.113 -2.382 1.00 . A A . 55 SER OG 1 1 28 33814 1 1 56 ASN C C -11.232 -5.900 -5.033 1.00 . A A . 56 ASN C 1 1 28 33815 1 1 56 ASN CA C -12.056 -4.614 -4.920 1.00 . A A . 56 ASN CA 1 1 28 33816 1 1 56 ASN CB C -11.259 -3.343 -5.281 1.00 . A A . 56 ASN CB 1 1 28 33817 1 1 56 ASN CG C -10.244 -2.872 -4.236 1.00 . A A . 56 ASN CG 1 1 28 33818 1 1 56 ASN H H -12.323 -5.120 -2.866 1.00 . A A . 56 ASN H 1 1 28 33819 1 1 56 ASN HA H -12.856 -4.700 -5.658 1.00 . A A . 56 ASN HA 1 1 28 33820 1 1 56 ASN HB2 H -10.731 -3.521 -6.218 1.00 . A A . 56 ASN HB2 1 1 28 33821 1 1 56 ASN HB3 H -11.964 -2.529 -5.445 1.00 . A A . 56 ASN HB3 1 1 28 33822 1 1 56 ASN HD21 H -9.860 -1.177 -5.283 1.00 . A A . 56 ASN HD21 1 1 28 33823 1 1 56 ASN HD22 H -8.958 -1.377 -3.792 1.00 . A A . 56 ASN HD22 1 1 28 33824 1 1 56 ASN N N -12.679 -4.527 -3.603 1.00 . A A . 56 ASN N 1 1 28 33825 1 1 56 ASN ND2 N -9.630 -1.716 -4.463 1.00 . A A . 56 ASN ND2 1 1 28 33826 1 1 56 ASN O O -11.560 -6.769 -5.833 1.00 . A A . 56 ASN O 1 1 28 33827 1 1 56 ASN OD1 O -10.014 -3.523 -3.221 1.00 . A A . 56 ASN OD1 1 1 28 33828 1 1 57 ASN C C -9.929 -8.380 -3.535 1.00 . A A . 57 ASN C 1 1 28 33829 1 1 57 ASN CA C -9.287 -7.179 -4.231 1.00 . A A . 57 ASN CA 1 1 28 33830 1 1 57 ASN CB C -7.978 -6.784 -3.543 1.00 . A A . 57 ASN CB 1 1 28 33831 1 1 57 ASN CG C -7.001 -7.951 -3.511 1.00 . A A . 57 ASN CG 1 1 28 33832 1 1 57 ASN H H -9.977 -5.282 -3.576 1.00 . A A . 57 ASN H 1 1 28 33833 1 1 57 ASN HA H -9.066 -7.451 -5.265 1.00 . A A . 57 ASN HA 1 1 28 33834 1 1 57 ASN HB2 H -7.518 -5.952 -4.077 1.00 . A A . 57 ASN HB2 1 1 28 33835 1 1 57 ASN HB3 H -8.182 -6.470 -2.520 1.00 . A A . 57 ASN HB3 1 1 28 33836 1 1 57 ASN HD21 H -6.612 -7.738 -5.514 1.00 . A A . 57 ASN HD21 1 1 28 33837 1 1 57 ASN HD22 H -5.693 -9.011 -4.675 1.00 . A A . 57 ASN HD22 1 1 28 33838 1 1 57 ASN N N -10.190 -6.038 -4.213 1.00 . A A . 57 ASN N 1 1 28 33839 1 1 57 ASN ND2 N -6.407 -8.268 -4.653 1.00 . A A . 57 ASN ND2 1 1 28 33840 1 1 57 ASN O O -9.880 -9.498 -4.037 1.00 . A A . 57 ASN O 1 1 28 33841 1 1 57 ASN OD1 O -6.792 -8.541 -2.454 1.00 . A A . 57 ASN OD1 1 1 28 33842 1 1 58 GLY C C -10.279 -9.875 -0.637 1.00 . A A . 58 GLY C 1 1 28 33843 1 1 58 GLY CA C -11.234 -9.168 -1.604 1.00 . A A . 58 GLY CA 1 1 28 33844 1 1 58 GLY H H -10.541 -7.196 -2.017 1.00 . A A . 58 GLY H 1 1 28 33845 1 1 58 GLY HA2 H -12.058 -8.719 -1.051 1.00 . A A . 58 GLY HA2 1 1 28 33846 1 1 58 GLY HA3 H -11.664 -9.909 -2.278 1.00 . A A . 58 GLY HA3 1 1 28 33847 1 1 58 GLY N N -10.550 -8.137 -2.375 1.00 . A A . 58 GLY N 1 1 28 33848 1 1 58 GLY O O -10.007 -11.061 -0.809 1.00 . A A . 58 GLY O 1 1 28 33849 1 1 59 PRO C C -9.717 -10.856 2.190 1.00 . A A . 59 PRO C 1 1 28 33850 1 1 59 PRO CA C -8.937 -9.788 1.419 1.00 . A A . 59 PRO CA 1 1 28 33851 1 1 59 PRO CB C -8.502 -8.631 2.325 1.00 . A A . 59 PRO CB 1 1 28 33852 1 1 59 PRO CD C -10.063 -7.790 0.723 1.00 . A A . 59 PRO CD 1 1 28 33853 1 1 59 PRO CG C -9.643 -7.622 2.183 1.00 . A A . 59 PRO CG 1 1 28 33854 1 1 59 PRO HA H -8.058 -10.254 0.969 1.00 . A A . 59 PRO HA 1 1 28 33855 1 1 59 PRO HB2 H -8.351 -8.943 3.361 1.00 . A A . 59 PRO HB2 1 1 28 33856 1 1 59 PRO HB3 H -7.585 -8.192 1.928 1.00 . A A . 59 PRO HB3 1 1 28 33857 1 1 59 PRO HD2 H -11.117 -7.529 0.617 1.00 . A A . 59 PRO HD2 1 1 28 33858 1 1 59 PRO HD3 H -9.453 -7.143 0.090 1.00 . A A . 59 PRO HD3 1 1 28 33859 1 1 59 PRO HG2 H -10.470 -7.915 2.831 1.00 . A A . 59 PRO HG2 1 1 28 33860 1 1 59 PRO HG3 H -9.332 -6.601 2.407 1.00 . A A . 59 PRO HG3 1 1 28 33861 1 1 59 PRO N N -9.782 -9.180 0.400 1.00 . A A . 59 PRO N 1 1 28 33862 1 1 59 PRO O O -10.875 -10.651 2.548 1.00 . A A . 59 PRO O 1 1 28 33863 1 1 60 THR C C -9.186 -13.357 4.448 1.00 . A A . 60 THR C 1 1 28 33864 1 1 60 THR CA C -9.676 -13.186 3.010 1.00 . A A . 60 THR CA 1 1 28 33865 1 1 60 THR CB C -9.243 -14.371 2.134 1.00 . A A . 60 THR CB 1 1 28 33866 1 1 60 THR CG2 C -9.962 -14.339 0.782 1.00 . A A . 60 THR CG2 1 1 28 33867 1 1 60 THR H H -8.130 -12.127 2.094 1.00 . A A . 60 THR H 1 1 28 33868 1 1 60 THR HA H -10.766 -13.121 3.019 1.00 . A A . 60 THR HA 1 1 28 33869 1 1 60 THR HB H -9.484 -15.310 2.637 1.00 . A A . 60 THR HB 1 1 28 33870 1 1 60 THR HG1 H -7.624 -14.743 1.100 1.00 . A A . 60 THR HG1 1 1 28 33871 1 1 60 THR HG21 H -9.694 -13.437 0.229 1.00 . A A . 60 THR HG21 1 1 28 33872 1 1 60 THR HG22 H -9.681 -15.210 0.190 1.00 . A A . 60 THR HG22 1 1 28 33873 1 1 60 THR HG23 H -11.041 -14.351 0.935 1.00 . A A . 60 THR HG23 1 1 28 33874 1 1 60 THR N N -9.073 -11.998 2.435 1.00 . A A . 60 THR N 1 1 28 33875 1 1 60 THR O O -9.955 -13.271 5.401 1.00 . A A . 60 THR O 1 1 28 33876 1 1 60 THR OG1 O -7.843 -14.276 1.912 1.00 . A A . 60 THR OG1 1 1 28 33877 1 1 61 LYS C C -5.716 -13.610 5.680 1.00 . A A . 61 LYS C 1 1 28 33878 1 1 61 LYS CA C -7.213 -13.887 5.845 1.00 . A A . 61 LYS CA 1 1 28 33879 1 1 61 LYS CB C -7.530 -15.307 6.346 1.00 . A A . 61 LYS CB 1 1 28 33880 1 1 61 LYS CD C -6.154 -17.375 5.904 1.00 . A A . 61 LYS CD 1 1 28 33881 1 1 61 LYS CE C -5.784 -18.444 4.869 1.00 . A A . 61 LYS CE 1 1 28 33882 1 1 61 LYS CG C -7.215 -16.425 5.337 1.00 . A A . 61 LYS CG 1 1 28 33883 1 1 61 LYS H H -7.356 -13.672 3.715 1.00 . A A . 61 LYS H 1 1 28 33884 1 1 61 LYS HA H -7.600 -13.198 6.598 1.00 . A A . 61 LYS HA 1 1 28 33885 1 1 61 LYS HB2 H -6.985 -15.471 7.276 1.00 . A A . 61 LYS HB2 1 1 28 33886 1 1 61 LYS HB3 H -8.595 -15.354 6.582 1.00 . A A . 61 LYS HB3 1 1 28 33887 1 1 61 LYS HD2 H -5.269 -16.792 6.167 1.00 . A A . 61 LYS HD2 1 1 28 33888 1 1 61 LYS HD3 H -6.549 -17.842 6.810 1.00 . A A . 61 LYS HD3 1 1 28 33889 1 1 61 LYS HE2 H -6.663 -19.052 4.646 1.00 . A A . 61 LYS HE2 1 1 28 33890 1 1 61 LYS HE3 H -5.460 -17.952 3.948 1.00 . A A . 61 LYS HE3 1 1 28 33891 1 1 61 LYS HG2 H -8.132 -16.980 5.131 1.00 . A A . 61 LYS HG2 1 1 28 33892 1 1 61 LYS HG3 H -6.858 -15.998 4.397 1.00 . A A . 61 LYS HG3 1 1 28 33893 1 1 61 LYS HZ1 H -3.864 -18.768 5.526 1.00 . A A . 61 LYS HZ1 1 1 28 33894 1 1 61 LYS HZ2 H -4.968 -19.793 6.194 1.00 . A A . 61 LYS HZ2 1 1 28 33895 1 1 61 LYS HZ3 H -4.475 -20.010 4.640 1.00 . A A . 61 LYS HZ3 1 1 28 33896 1 1 61 LYS N N -7.884 -13.618 4.583 1.00 . A A . 61 LYS N 1 1 28 33897 1 1 61 LYS NZ N -4.692 -19.318 5.345 1.00 . A A . 61 LYS NZ 1 1 28 33898 1 1 61 LYS O O -4.941 -14.488 5.304 1.00 . A A . 61 LYS O 1 1 28 33899 1 1 62 CYS C C -3.627 -12.033 4.214 1.00 . A A . 62 CYS C 1 1 28 33900 1 1 62 CYS CA C -4.008 -11.820 5.684 1.00 . A A . 62 CYS CA 1 1 28 33901 1 1 62 CYS CB C -2.988 -12.339 6.683 1.00 . A A . 62 CYS CB 1 1 28 33902 1 1 62 CYS H H -6.049 -11.703 6.193 1.00 . A A . 62 CYS H 1 1 28 33903 1 1 62 CYS HA H -4.122 -10.753 5.809 1.00 . A A . 62 CYS HA 1 1 28 33904 1 1 62 CYS HB2 H -2.804 -13.396 6.492 1.00 . A A . 62 CYS HB2 1 1 28 33905 1 1 62 CYS HB3 H -2.050 -11.795 6.569 1.00 . A A . 62 CYS HB3 1 1 28 33906 1 1 62 CYS N N -5.334 -12.359 5.935 1.00 . A A . 62 CYS N 1 1 28 33907 1 1 62 CYS O O -4.448 -11.794 3.330 1.00 . A A . 62 CYS O 1 1 28 33908 1 1 62 CYS SG S -3.520 -12.188 8.411 1.00 . A A . 62 CYS SG 1 1 28 33909 1 1 63 GLY C C -1.642 -11.838 1.645 1.00 . A A . 63 GLY C 1 1 28 33910 1 1 63 GLY CA C -1.980 -12.953 2.632 1.00 . A A . 63 GLY CA 1 1 28 33911 1 1 63 GLY H H -1.740 -12.529 4.699 1.00 . A A . 63 GLY H 1 1 28 33912 1 1 63 GLY HA2 H -1.100 -13.583 2.767 1.00 . A A . 63 GLY HA2 1 1 28 33913 1 1 63 GLY HA3 H -2.775 -13.568 2.208 1.00 . A A . 63 GLY HA3 1 1 28 33914 1 1 63 GLY N N -2.391 -12.450 3.937 1.00 . A A . 63 GLY N 1 1 28 33915 1 1 63 GLY O O -0.563 -11.844 1.064 1.00 . A A . 63 GLY O 1 1 28 33916 1 1 64 GLY C C -1.139 -9.299 0.137 1.00 . A A . 64 GLY C 1 1 28 33917 1 1 64 GLY CA C -2.534 -9.863 0.427 1.00 . A A . 64 GLY CA 1 1 28 33918 1 1 64 GLY H H -3.437 -11.014 1.975 1.00 . A A . 64 GLY H 1 1 28 33919 1 1 64 GLY HA2 H -2.957 -10.268 -0.492 1.00 . A A . 64 GLY HA2 1 1 28 33920 1 1 64 GLY HA3 H -3.168 -9.042 0.766 1.00 . A A . 64 GLY HA3 1 1 28 33921 1 1 64 GLY N N -2.571 -10.898 1.456 1.00 . A A . 64 GLY N 1 1 28 33922 1 1 64 GLY O O -0.685 -9.302 -1.004 1.00 . A A . 64 GLY O 1 1 28 33923 1 1 65 CYS C C 1.949 -8.649 1.499 1.00 . A A . 65 CYS C 1 1 28 33924 1 1 65 CYS CA C 0.689 -7.913 1.039 1.00 . A A . 65 CYS CA 1 1 28 33925 1 1 65 CYS CB C 0.429 -6.651 1.823 1.00 . A A . 65 CYS CB 1 1 28 33926 1 1 65 CYS H H -0.950 -8.789 2.066 1.00 . A A . 65 CYS H 1 1 28 33927 1 1 65 CYS HA H 0.836 -7.630 -0.005 1.00 . A A . 65 CYS HA 1 1 28 33928 1 1 65 CYS HB2 H 0.417 -6.920 2.875 1.00 . A A . 65 CYS HB2 1 1 28 33929 1 1 65 CYS HB3 H 1.222 -5.921 1.651 1.00 . A A . 65 CYS HB3 1 1 28 33930 1 1 65 CYS N N -0.488 -8.769 1.172 1.00 . A A . 65 CYS N 1 1 28 33931 1 1 65 CYS O O 2.995 -8.567 0.858 1.00 . A A . 65 CYS O 1 1 28 33932 1 1 65 CYS SG S -1.179 -5.980 1.266 1.00 . A A . 65 CYS SG 1 1 28 33933 1 1 66 HIS C C 2.968 -11.502 2.273 1.00 . A A . 66 HIS C 1 1 28 33934 1 1 66 HIS CA C 2.919 -10.229 3.108 1.00 . A A . 66 HIS CA 1 1 28 33935 1 1 66 HIS CB C 2.677 -10.590 4.577 1.00 . A A . 66 HIS CB 1 1 28 33936 1 1 66 HIS CD2 C 1.462 -8.903 6.054 1.00 . A A . 66 HIS CD2 1 1 28 33937 1 1 66 HIS CE1 C 3.073 -7.470 6.388 1.00 . A A . 66 HIS CE1 1 1 28 33938 1 1 66 HIS CG C 2.592 -9.379 5.452 1.00 . A A . 66 HIS CG 1 1 28 33939 1 1 66 HIS H H 0.958 -9.415 3.083 1.00 . A A . 66 HIS H 1 1 28 33940 1 1 66 HIS HA H 3.872 -9.698 3.048 1.00 . A A . 66 HIS HA 1 1 28 33941 1 1 66 HIS HB2 H 1.759 -11.171 4.661 1.00 . A A . 66 HIS HB2 1 1 28 33942 1 1 66 HIS HB3 H 3.494 -11.226 4.923 1.00 . A A . 66 HIS HB3 1 1 28 33943 1 1 66 HIS HD1 H 4.543 -8.496 5.260 1.00 . A A . 66 HIS HD1 1 1 28 33944 1 1 66 HIS HD2 H 0.478 -9.332 6.077 1.00 . A A . 66 HIS HD2 1 1 28 33945 1 1 66 HIS HE1 H 3.613 -6.600 6.720 1.00 . A A . 66 HIS HE1 1 1 28 33946 1 1 66 HIS N N 1.847 -9.381 2.613 1.00 . A A . 66 HIS N 1 1 28 33947 1 1 66 HIS ND1 N 3.599 -8.466 5.653 1.00 . A A . 66 HIS ND1 1 1 28 33948 1 1 66 HIS NE2 N 1.771 -7.689 6.647 1.00 . A A . 66 HIS NE2 1 1 28 33949 1 1 66 HIS O O 2.111 -12.369 2.444 1.00 . A A . 66 HIS O 1 1 28 33950 1 1 67 ILE C C 4.657 -13.978 1.477 1.00 . A A . 67 ILE C 1 1 28 33951 1 1 67 ILE CA C 4.168 -12.824 0.588 1.00 . A A . 67 ILE CA 1 1 28 33952 1 1 67 ILE CB C 5.109 -12.500 -0.591 1.00 . A A . 67 ILE CB 1 1 28 33953 1 1 67 ILE CD1 C 3.217 -11.326 -1.907 1.00 . A A . 67 ILE CD1 1 1 28 33954 1 1 67 ILE CG1 C 4.654 -11.251 -1.372 1.00 . A A . 67 ILE CG1 1 1 28 33955 1 1 67 ILE CG2 C 5.243 -13.693 -1.551 1.00 . A A . 67 ILE CG2 1 1 28 33956 1 1 67 ILE H H 4.612 -10.857 1.292 1.00 . A A . 67 ILE H 1 1 28 33957 1 1 67 ILE HA H 3.206 -13.126 0.172 1.00 . A A . 67 ILE HA 1 1 28 33958 1 1 67 ILE HB H 6.102 -12.281 -0.192 1.00 . A A . 67 ILE HB 1 1 28 33959 1 1 67 ILE HD11 H 3.084 -12.202 -2.541 1.00 . A A . 67 ILE HD11 1 1 28 33960 1 1 67 ILE HD12 H 2.501 -11.358 -1.086 1.00 . A A . 67 ILE HD12 1 1 28 33961 1 1 67 ILE HD13 H 3.008 -10.439 -2.503 1.00 . A A . 67 ILE HD13 1 1 28 33962 1 1 67 ILE HG12 H 4.734 -10.370 -0.735 1.00 . A A . 67 ILE HG12 1 1 28 33963 1 1 67 ILE HG13 H 5.328 -11.105 -2.215 1.00 . A A . 67 ILE HG13 1 1 28 33964 1 1 67 ILE HG21 H 5.835 -13.403 -2.419 1.00 . A A . 67 ILE HG21 1 1 28 33965 1 1 67 ILE HG22 H 5.749 -14.527 -1.067 1.00 . A A . 67 ILE HG22 1 1 28 33966 1 1 67 ILE HG23 H 4.262 -14.032 -1.884 1.00 . A A . 67 ILE HG23 1 1 28 33967 1 1 67 ILE N N 3.972 -11.632 1.405 1.00 . A A . 67 ILE N 1 1 28 33968 1 1 67 ILE O O 5.817 -14.381 1.410 1.00 . A A . 67 ILE O 1 1 28 33969 1 1 68 LYS C C 5.189 -15.186 4.150 1.00 . A A . 68 LYS C 1 1 28 33970 1 1 68 LYS CA C 3.958 -15.521 3.305 1.00 . A A . 68 LYS CA 1 1 28 33971 1 1 68 LYS CB C 4.001 -16.884 2.623 1.00 . A A . 68 LYS CB 1 1 28 33972 1 1 68 LYS CD C 4.634 -19.267 2.923 1.00 . A A . 68 LYS CD 1 1 28 33973 1 1 68 LYS CE C 6.167 -19.367 3.055 1.00 . A A . 68 LYS CE 1 1 28 33974 1 1 68 LYS CG C 4.056 -18.041 3.629 1.00 . A A . 68 LYS CG 1 1 28 33975 1 1 68 LYS H H 2.816 -14.100 2.277 1.00 . A A . 68 LYS H 1 1 28 33976 1 1 68 LYS HA H 3.097 -15.505 3.974 1.00 . A A . 68 LYS HA 1 1 28 33977 1 1 68 LYS HB2 H 3.095 -17.004 2.024 1.00 . A A . 68 LYS HB2 1 1 28 33978 1 1 68 LYS HB3 H 4.842 -16.892 1.934 1.00 . A A . 68 LYS HB3 1 1 28 33979 1 1 68 LYS HD2 H 4.191 -20.158 3.372 1.00 . A A . 68 LYS HD2 1 1 28 33980 1 1 68 LYS HD3 H 4.325 -19.220 1.876 1.00 . A A . 68 LYS HD3 1 1 28 33981 1 1 68 LYS HE2 H 6.411 -19.641 4.083 1.00 . A A . 68 LYS HE2 1 1 28 33982 1 1 68 LYS HE3 H 6.523 -20.162 2.397 1.00 . A A . 68 LYS HE3 1 1 28 33983 1 1 68 LYS HG2 H 4.641 -17.801 4.518 1.00 . A A . 68 LYS HG2 1 1 28 33984 1 1 68 LYS HG3 H 3.034 -18.245 3.955 1.00 . A A . 68 LYS HG3 1 1 28 33985 1 1 68 LYS HZ1 H 6.567 -17.355 3.355 1.00 . A A . 68 LYS HZ1 1 1 28 33986 1 1 68 LYS HZ2 H 7.871 -18.201 2.860 1.00 . A A . 68 LYS HZ2 1 1 28 33987 1 1 68 LYS HZ3 H 6.682 -17.798 1.796 1.00 . A A . 68 LYS HZ3 1 1 28 33988 1 1 68 LYS N N 3.739 -14.510 2.292 1.00 . A A . 68 LYS N 1 1 28 33989 1 1 68 LYS NZ N 6.874 -18.106 2.736 1.00 . A A . 68 LYS NZ 1 1 28 33990 1 1 68 LYS O O 6.179 -15.951 4.068 1.00 . A A . 68 LYS O 1 1 28 33991 1 1 68 LYS OXT O 5.092 -14.179 4.882 1.00 . A A . 68 LYS OXT 1 1 28 33992 2 2 1 HEC C1A C 7.526 8.519 -3.834 1.00 . B A . 69 HEC C1A 1 1 28 33993 2 2 1 HEC C1B C 4.791 9.744 -6.868 1.00 . B A . 69 HEC C1B 1 1 28 33994 2 2 1 HEC C1C C 2.069 6.725 -5.590 1.00 . B A . 69 HEC C1C 1 1 28 33995 2 2 1 HEC C1D C 4.520 5.985 -2.179 1.00 . B A . 69 HEC C1D 1 1 28 33996 2 2 1 HEC C2A C 8.605 9.398 -4.243 1.00 . B A . 69 HEC C2A 1 1 28 33997 2 2 1 HEC C2B C 4.028 10.200 -8.004 1.00 . B A . 69 HEC C2B 1 1 28 33998 2 2 1 HEC C2C C 0.963 5.892 -5.182 1.00 . B A . 69 HEC C2C 1 1 28 33999 2 2 1 HEC C2D C 5.290 5.529 -1.047 1.00 . B A . 69 HEC C2D 1 1 28 34000 2 2 1 HEC C3A C 8.116 10.176 -5.260 1.00 . B A . 69 HEC C3A 1 1 28 34001 2 2 1 HEC C3B C 2.946 9.361 -8.127 1.00 . B A . 69 HEC C3B 1 1 28 34002 2 2 1 HEC C3C C 1.244 5.422 -3.918 1.00 . B A . 69 HEC C3C 1 1 28 34003 2 2 1 HEC C3D C 6.554 6.048 -1.178 1.00 . B A . 69 HEC C3D 1 1 28 34004 2 2 1 HEC C4A C 6.759 9.754 -5.505 1.00 . B A . 69 HEC C4A 1 1 28 34005 2 2 1 HEC C4B C 3.044 8.385 -7.058 1.00 . B A . 69 HEC C4B 1 1 28 34006 2 2 1 HEC C4C C 2.565 5.915 -3.582 1.00 . B A . 69 HEC C4C 1 1 28 34007 2 2 1 HEC C4D C 6.540 6.881 -2.364 1.00 . B A . 69 HEC C4D 1 1 28 34008 2 2 1 HEC CAA C 10.021 9.462 -3.700 1.00 . B A . 69 HEC CAA 1 1 28 34009 2 2 1 HEC CAB C 1.712 9.652 -8.957 1.00 . B A . 69 HEC CAB 1 1 28 34010 2 2 1 HEC CAC C 0.287 4.709 -2.968 1.00 . B A . 69 HEC CAC 1 1 28 34011 2 2 1 HEC CAD C 7.658 5.978 -0.142 1.00 . B A . 69 HEC CAD 1 1 28 34012 2 2 1 HEC CBA C 10.371 10.786 -3.011 1.00 . B A . 69 HEC CBA 1 1 28 34013 2 2 1 HEC CBB C 1.948 9.909 -10.452 1.00 . B A . 69 HEC CBB 1 1 28 34014 2 2 1 HEC CBC C -0.116 3.290 -3.377 1.00 . B A . 69 HEC CBC 1 1 28 34015 2 2 1 HEC CBD C 8.338 4.639 0.134 1.00 . B A . 69 HEC CBD 1 1 28 34016 2 2 1 HEC CGA C 11.760 10.738 -2.366 1.00 . B A . 69 HEC CGA 1 1 28 34017 2 2 1 HEC CGD C 9.434 4.913 1.169 1.00 . B A . 69 HEC CGD 1 1 28 34018 2 2 1 HEC CHA C 7.606 7.646 -2.776 1.00 . B A . 69 HEC CHA 1 1 28 34019 2 2 1 HEC CHB C 5.984 10.306 -6.484 1.00 . B A . 69 HEC CHB 1 1 28 34020 2 2 1 HEC CHC C 2.073 7.442 -6.768 1.00 . B A . 69 HEC CHC 1 1 28 34021 2 2 1 HEC CHD C 3.232 5.580 -2.422 1.00 . B A . 69 HEC CHD 1 1 28 34022 2 2 1 HEC CMA C 8.889 11.198 -6.062 1.00 . B A . 69 HEC CMA 1 1 28 34023 2 2 1 HEC CMB C 4.350 11.375 -8.907 1.00 . B A . 69 HEC CMB 1 1 28 34024 2 2 1 HEC CMC C -0.309 5.699 -5.973 1.00 . B A . 69 HEC CMC 1 1 28 34025 2 2 1 HEC CMD C 4.797 4.633 0.064 1.00 . B A . 69 HEC CMD 1 1 28 34026 2 2 1 HEC FE FE 4.715 7.746 -4.643 1.00 . B A . 69 HEC FE 1 1 28 34027 2 2 1 HEC HAA1 H 10.211 8.661 -2.990 1.00 . B A . 69 HEC HAA1 1 1 28 34028 2 2 1 HEC HAA2 H 10.721 9.318 -4.522 1.00 . B A . 69 HEC HAA2 1 1 28 34029 2 2 1 HEC HAB H 1.053 8.792 -8.926 1.00 . B A . 69 HEC HAB 1 1 28 34030 2 2 1 HEC HAC H 0.732 4.631 -1.981 1.00 . B A . 69 HEC HAC 1 1 28 34031 2 2 1 HEC HAD1 H 8.481 6.614 -0.433 1.00 . B A . 69 HEC HAD1 1 1 28 34032 2 2 1 HEC HAD2 H 7.277 6.323 0.809 1.00 . B A . 69 HEC HAD2 1 1 28 34033 2 2 1 HEC HBA1 H 10.328 11.604 -3.731 1.00 . B A . 69 HEC HBA1 1 1 28 34034 2 2 1 HEC HBA2 H 9.631 10.988 -2.242 1.00 . B A . 69 HEC HBA2 1 1 28 34035 2 2 1 HEC HBB1 H 2.618 9.150 -10.857 1.00 . B A . 69 HEC HBB1 1 1 28 34036 2 2 1 HEC HBB2 H 0.998 9.843 -10.984 1.00 . B A . 69 HEC HBB2 1 1 28 34037 2 2 1 HEC HBB3 H 2.366 10.896 -10.633 1.00 . B A . 69 HEC HBB3 1 1 28 34038 2 2 1 HEC HBC1 H -0.847 3.326 -4.178 1.00 . B A . 69 HEC HBC1 1 1 28 34039 2 2 1 HEC HBC2 H 0.756 2.721 -3.702 1.00 . B A . 69 HEC HBC2 1 1 28 34040 2 2 1 HEC HBC3 H -0.577 2.782 -2.531 1.00 . B A . 69 HEC HBC3 1 1 28 34041 2 2 1 HEC HBD1 H 7.617 3.928 0.532 1.00 . B A . 69 HEC HBD1 1 1 28 34042 2 2 1 HEC HBD2 H 8.769 4.246 -0.788 1.00 . B A . 69 HEC HBD2 1 1 28 34043 2 2 1 HEC HHA H 8.517 7.611 -2.218 1.00 . B A . 69 HEC HHA 1 1 28 34044 2 2 1 HEC HHB H 6.363 11.162 -7.000 1.00 . B A . 69 HEC HHB 1 1 28 34045 2 2 1 HEC HHC H 1.232 7.327 -7.421 1.00 . B A . 69 HEC HHC 1 1 28 34046 2 2 1 HEC HHD H 2.774 4.901 -1.727 1.00 . B A . 69 HEC HHD 1 1 28 34047 2 2 1 HEC HMA1 H 8.678 11.077 -7.124 1.00 . B A . 69 HEC HMA1 1 1 28 34048 2 2 1 HEC HMA2 H 8.611 12.200 -5.741 1.00 . B A . 69 HEC HMA2 1 1 28 34049 2 2 1 HEC HMA3 H 9.961 11.064 -5.918 1.00 . B A . 69 HEC HMA3 1 1 28 34050 2 2 1 HEC HMB1 H 4.670 11.004 -9.879 1.00 . B A . 69 HEC HMB1 1 1 28 34051 2 2 1 HEC HMB2 H 3.458 11.988 -9.019 1.00 . B A . 69 HEC HMB2 1 1 28 34052 2 2 1 HEC HMB3 H 5.124 12.017 -8.498 1.00 . B A . 69 HEC HMB3 1 1 28 34053 2 2 1 HEC HMC1 H -1.058 5.162 -5.402 1.00 . B A . 69 HEC HMC1 1 1 28 34054 2 2 1 HEC HMC2 H -0.716 6.674 -6.239 1.00 . B A . 69 HEC HMC2 1 1 28 34055 2 2 1 HEC HMC3 H -0.073 5.139 -6.873 1.00 . B A . 69 HEC HMC3 1 1 28 34056 2 2 1 HEC HMD1 H 4.740 3.606 -0.293 1.00 . B A . 69 HEC HMD1 1 1 28 34057 2 2 1 HEC HMD2 H 5.472 4.679 0.916 1.00 . B A . 69 HEC HMD2 1 1 28 34058 2 2 1 HEC HMD3 H 3.810 4.959 0.382 1.00 . B A . 69 HEC HMD3 1 1 28 34059 2 2 1 HEC NA N 6.458 8.749 -4.653 1.00 . B A . 69 HEC NA 1 1 28 34060 2 2 1 HEC NB N 4.159 8.673 -6.328 1.00 . B A . 69 HEC NB 1 1 28 34061 2 2 1 HEC NC N 2.996 6.716 -4.603 1.00 . B A . 69 HEC NC 1 1 28 34062 2 2 1 HEC ND N 5.304 6.807 -2.922 1.00 . B A . 69 HEC ND 1 1 28 34063 2 2 1 HEC O1A O 11.929 9.914 -1.439 1.00 . B A . 69 HEC O1A 1 1 28 34064 2 2 1 HEC O1D O 10.596 5.176 0.784 1.00 . B A . 69 HEC O1D 1 1 28 34065 2 2 1 HEC O2A O 12.629 11.513 -2.819 1.00 . B A . 69 HEC O2A 1 1 28 34066 2 2 1 HEC O2D O 9.103 5.098 2.363 1.00 . B A . 69 HEC O2D 1 1 28 34067 3 2 1 HEC C1A C -2.985 -4.294 -4.547 1.00 . C A . 70 HEC C1A 1 1 28 34068 3 2 1 HEC C1B C -0.775 -2.318 -1.469 1.00 . C A . 70 HEC C1B 1 1 28 34069 3 2 1 HEC C1C C -3.259 1.129 -1.887 1.00 . C A . 70 HEC C1C 1 1 28 34070 3 2 1 HEC C1D C -5.401 -0.785 -5.040 1.00 . C A . 70 HEC C1D 1 1 28 34071 3 2 1 HEC C2A C -2.299 -5.568 -4.427 1.00 . C A . 70 HEC C2A 1 1 28 34072 3 2 1 HEC C2B C 0.014 -1.823 -0.369 1.00 . C A . 70 HEC C2B 1 1 28 34073 3 2 1 HEC C2C C -4.050 2.335 -1.866 1.00 . C A . 70 HEC C2C 1 1 28 34074 3 2 1 HEC C2D C -6.212 -1.297 -6.119 1.00 . C A . 70 HEC C2D 1 1 28 34075 3 2 1 HEC C3A C -1.311 -5.402 -3.488 1.00 . C A . 70 HEC C3A 1 1 28 34076 3 2 1 HEC C3B C -0.396 -0.532 -0.128 1.00 . C A . 70 HEC C3B 1 1 28 34077 3 2 1 HEC C3C C -5.092 2.149 -2.746 1.00 . C A . 70 HEC C3C 1 1 28 34078 3 2 1 HEC C3D C -5.708 -2.529 -6.443 1.00 . C A . 70 HEC C3D 1 1 28 34079 3 2 1 HEC C4A C -1.453 -4.076 -2.943 1.00 . C A . 70 HEC C4A 1 1 28 34080 3 2 1 HEC C4B C -1.456 -0.244 -1.069 1.00 . C A . 70 HEC C4B 1 1 28 34081 3 2 1 HEC C4C C -4.832 0.900 -3.427 1.00 . C A . 70 HEC C4C 1 1 28 34082 3 2 1 HEC C4D C -4.643 -2.824 -5.512 1.00 . C A . 70 HEC C4D 1 1 28 34083 3 2 1 HEC CAA C -2.590 -6.864 -5.161 1.00 . C A . 70 HEC CAA 1 1 28 34084 3 2 1 HEC CAB C 0.129 0.401 0.945 1.00 . C A . 70 HEC CAB 1 1 28 34085 3 2 1 HEC CAC C -6.409 2.917 -2.768 1.00 . C A . 70 HEC CAC 1 1 28 34086 3 2 1 HEC CAD C -6.230 -3.431 -7.532 1.00 . C A . 70 HEC CAD 1 1 28 34087 3 2 1 HEC CBA C -2.939 -8.035 -4.229 1.00 . C A . 70 HEC CBA 1 1 28 34088 3 2 1 HEC CBB C 1.606 0.761 0.729 1.00 . C A . 70 HEC CBB 1 1 28 34089 3 2 1 HEC CBC C -6.409 4.229 -3.549 1.00 . C A . 70 HEC CBC 1 1 28 34090 3 2 1 HEC CBD C -7.311 -4.399 -7.039 1.00 . C A . 70 HEC CBD 1 1 28 34091 3 2 1 HEC CGA C -3.209 -9.324 -5.012 1.00 . C A . 70 HEC CGA 1 1 28 34092 3 2 1 HEC CGD C -7.088 -5.799 -7.607 1.00 . C A . 70 HEC CGD 1 1 28 34093 3 2 1 HEC CHA C -3.990 -4.034 -5.459 1.00 . C A . 70 HEC CHA 1 1 28 34094 3 2 1 HEC CHB C -0.646 -3.593 -1.945 1.00 . C A . 70 HEC CHB 1 1 28 34095 3 2 1 HEC CHC C -2.192 0.917 -1.050 1.00 . C A . 70 HEC CHC 1 1 28 34096 3 2 1 HEC CHD C -5.617 0.431 -4.447 1.00 . C A . 70 HEC CHD 1 1 28 34097 3 2 1 HEC CMA C -0.235 -6.401 -3.122 1.00 . C A . 70 HEC CMA 1 1 28 34098 3 2 1 HEC CMB C 0.963 -2.660 0.458 1.00 . C A . 70 HEC CMB 1 1 28 34099 3 2 1 HEC CMC C -3.786 3.554 -1.013 1.00 . C A . 70 HEC CMC 1 1 28 34100 3 2 1 HEC CMD C -7.421 -0.653 -6.765 1.00 . C A . 70 HEC CMD 1 1 28 34101 3 2 1 HEC FE FE -3.043 -1.536 -3.278 1.00 . C A . 70 HEC FE 1 1 28 34102 3 2 1 HEC HAA1 H -3.429 -6.758 -5.845 1.00 . C A . 70 HEC HAA1 1 1 28 34103 3 2 1 HEC HAA2 H -1.719 -7.146 -5.751 1.00 . C A . 70 HEC HAA2 1 1 28 34104 3 2 1 HEC HAB H -0.391 1.352 0.915 1.00 . C A . 70 HEC HAB 1 1 28 34105 3 2 1 HEC HAC H -7.184 2.303 -3.223 1.00 . C A . 70 HEC HAC 1 1 28 34106 3 2 1 HEC HAD1 H -6.642 -2.842 -8.349 1.00 . C A . 70 HEC HAD1 1 1 28 34107 3 2 1 HEC HAD2 H -5.394 -4.002 -7.938 1.00 . C A . 70 HEC HAD2 1 1 28 34108 3 2 1 HEC HBA1 H -2.120 -8.228 -3.538 1.00 . C A . 70 HEC HBA1 1 1 28 34109 3 2 1 HEC HBA2 H -3.815 -7.760 -3.640 1.00 . C A . 70 HEC HBA2 1 1 28 34110 3 2 1 HEC HBB1 H 1.768 1.026 -0.317 1.00 . C A . 70 HEC HBB1 1 1 28 34111 3 2 1 HEC HBB2 H 1.873 1.622 1.335 1.00 . C A . 70 HEC HBB2 1 1 28 34112 3 2 1 HEC HBB3 H 2.270 -0.061 0.987 1.00 . C A . 70 HEC HBB3 1 1 28 34113 3 2 1 HEC HBC1 H -6.418 4.002 -4.615 1.00 . C A . 70 HEC HBC1 1 1 28 34114 3 2 1 HEC HBC2 H -7.314 4.792 -3.319 1.00 . C A . 70 HEC HBC2 1 1 28 34115 3 2 1 HEC HBC3 H -5.540 4.830 -3.289 1.00 . C A . 70 HEC HBC3 1 1 28 34116 3 2 1 HEC HBD1 H -7.290 -4.442 -5.948 1.00 . C A . 70 HEC HBD1 1 1 28 34117 3 2 1 HEC HBD2 H -8.292 -4.028 -7.343 1.00 . C A . 70 HEC HBD2 1 1 28 34118 3 2 1 HEC HHA H -4.307 -4.816 -6.124 1.00 . C A . 70 HEC HHA 1 1 28 34119 3 2 1 HEC HHB H 0.091 -4.243 -1.499 1.00 . C A . 70 HEC HHB 1 1 28 34120 3 2 1 HEC HHC H -1.986 1.654 -0.300 1.00 . C A . 70 HEC HHC 1 1 28 34121 3 2 1 HEC HHD H -6.404 1.064 -4.803 1.00 . C A . 70 HEC HHD 1 1 28 34122 3 2 1 HEC HMA1 H -0.138 -7.155 -3.902 1.00 . C A . 70 HEC HMA1 1 1 28 34123 3 2 1 HEC HMA2 H 0.727 -5.900 -3.014 1.00 . C A . 70 HEC HMA2 1 1 28 34124 3 2 1 HEC HMA3 H -0.502 -6.891 -2.186 1.00 . C A . 70 HEC HMA3 1 1 28 34125 3 2 1 HEC HMB1 H 1.705 -3.131 -0.185 1.00 . C A . 70 HEC HMB1 1 1 28 34126 3 2 1 HEC HMB2 H 1.467 -2.064 1.210 1.00 . C A . 70 HEC HMB2 1 1 28 34127 3 2 1 HEC HMB3 H 0.386 -3.436 0.960 1.00 . C A . 70 HEC HMB3 1 1 28 34128 3 2 1 HEC HMC1 H -2.727 3.807 -1.043 1.00 . C A . 70 HEC HMC1 1 1 28 34129 3 2 1 HEC HMC2 H -4.350 4.409 -1.381 1.00 . C A . 70 HEC HMC2 1 1 28 34130 3 2 1 HEC HMC3 H -4.089 3.349 0.012 1.00 . C A . 70 HEC HMC3 1 1 28 34131 3 2 1 HEC HMD1 H -7.784 0.203 -6.195 1.00 . C A . 70 HEC HMD1 1 1 28 34132 3 2 1 HEC HMD2 H -7.159 -0.327 -7.771 1.00 . C A . 70 HEC HMD2 1 1 28 34133 3 2 1 HEC HMD3 H -8.212 -1.396 -6.838 1.00 . C A . 70 HEC HMD3 1 1 28 34134 3 2 1 HEC NA N -2.449 -3.437 -3.620 1.00 . C A . 70 HEC NA 1 1 28 34135 3 2 1 HEC NB N -1.647 -1.345 -1.849 1.00 . C A . 70 HEC NB 1 1 28 34136 3 2 1 HEC NC N -3.750 0.308 -2.848 1.00 . C A . 70 HEC NC 1 1 28 34137 3 2 1 HEC ND N -4.473 -1.730 -4.723 1.00 . C A . 70 HEC ND 1 1 28 34138 3 2 1 HEC O1A O -2.330 -9.696 -5.820 1.00 . C A . 70 HEC O1A 1 1 28 34139 3 2 1 HEC O1D O -6.951 -5.880 -8.849 1.00 . C A . 70 HEC O1D 1 1 28 34140 3 2 1 HEC O2A O -4.296 -9.909 -4.798 1.00 . C A . 70 HEC O2A 1 1 28 34141 3 2 1 HEC O2D O -7.004 -6.740 -6.786 1.00 . C A . 70 HEC O2D 1 1 28 34142 4 2 1 HEC C1A C 2.785 -5.742 9.402 1.00 . D A . 71 HEC C1A 1 1 28 34143 4 2 1 HEC C1B C -0.147 -8.864 9.508 1.00 . D A . 71 HEC C1B 1 1 28 34144 4 2 1 HEC C1C C -1.734 -7.464 5.811 1.00 . D A . 71 HEC C1C 1 1 28 34145 4 2 1 HEC C1D C 1.195 -4.428 5.663 1.00 . D A . 71 HEC C1D 1 1 28 34146 4 2 1 HEC C2A C 3.495 -6.153 10.597 1.00 . D A . 71 HEC C2A 1 1 28 34147 4 2 1 HEC C2B C -1.102 -9.932 9.696 1.00 . D A . 71 HEC C2B 1 1 28 34148 4 2 1 HEC C2C C -2.344 -7.180 4.533 1.00 . D A . 71 HEC C2C 1 1 28 34149 4 2 1 HEC C2D C 2.109 -3.352 5.430 1.00 . D A . 71 HEC C2D 1 1 28 34150 4 2 1 HEC C3A C 2.759 -7.169 11.158 1.00 . D A . 71 HEC C3A 1 1 28 34151 4 2 1 HEC C3B C -2.033 -9.828 8.687 1.00 . D A . 71 HEC C3B 1 1 28 34152 4 2 1 HEC C3C C -1.709 -6.073 4.023 1.00 . D A . 71 HEC C3C 1 1 28 34153 4 2 1 HEC C3D C 2.965 -3.299 6.499 1.00 . D A . 71 HEC C3D 1 1 28 34154 4 2 1 HEC C4A C 1.720 -7.517 10.219 1.00 . D A . 71 HEC C4A 1 1 28 34155 4 2 1 HEC C4B C -1.538 -8.812 7.785 1.00 . D A . 71 HEC C4B 1 1 28 34156 4 2 1 HEC C4C C -0.663 -5.746 4.970 1.00 . D A . 71 HEC C4C 1 1 28 34157 4 2 1 HEC C4D C 2.552 -4.350 7.418 1.00 . D A . 71 HEC C4D 1 1 28 34158 4 2 1 HEC CAA C 4.899 -5.754 11.028 1.00 . D A . 71 HEC CAA 1 1 28 34159 4 2 1 HEC CAB C -3.449 -10.395 8.688 1.00 . D A . 71 HEC CAB 1 1 28 34160 4 2 1 HEC CAC C -2.012 -5.304 2.738 1.00 . D A . 71 HEC CAC 1 1 28 34161 4 2 1 HEC CAD C 4.154 -2.368 6.548 1.00 . D A . 71 HEC CAD 1 1 28 34162 4 2 1 HEC CBA C 5.908 -6.850 10.655 1.00 . D A . 71 HEC CBA 1 1 28 34163 4 2 1 HEC CBB C -4.217 -10.084 9.975 1.00 . D A . 71 HEC CBB 1 1 28 34164 4 2 1 HEC CBC C -3.496 -5.139 2.381 1.00 . D A . 71 HEC CBC 1 1 28 34165 4 2 1 HEC CBD C 5.348 -2.826 7.377 1.00 . D A . 71 HEC CBD 1 1 28 34166 4 2 1 HEC CGA C 7.355 -6.627 11.106 1.00 . D A . 71 HEC CGA 1 1 28 34167 4 2 1 HEC CGD C 6.638 -2.226 6.857 1.00 . D A . 71 HEC CGD 1 1 28 34168 4 2 1 HEC CHA C 3.174 -4.694 8.602 1.00 . D A . 71 HEC CHA 1 1 28 34169 4 2 1 HEC CHB C 0.845 -8.567 10.412 1.00 . D A . 71 HEC CHB 1 1 28 34170 4 2 1 HEC CHC C -2.151 -8.492 6.602 1.00 . D A . 71 HEC CHC 1 1 28 34171 4 2 1 HEC CHD C 0.224 -4.737 4.764 1.00 . D A . 71 HEC CHD 1 1 28 34172 4 2 1 HEC CMA C 2.966 -7.766 12.532 1.00 . D A . 71 HEC CMA 1 1 28 34173 4 2 1 HEC CMB C -1.080 -10.947 10.814 1.00 . D A . 71 HEC CMB 1 1 28 34174 4 2 1 HEC CMC C -3.434 -8.007 3.890 1.00 . D A . 71 HEC CMC 1 1 28 34175 4 2 1 HEC CMD C 2.089 -2.457 4.216 1.00 . D A . 71 HEC CMD 1 1 28 34176 4 2 1 HEC FE FE 0.536 -6.582 7.667 1.00 . D A . 71 HEC FE 1 1 28 34177 4 2 1 HEC HAA1 H 5.237 -4.833 10.559 1.00 . D A . 71 HEC HAA1 1 1 28 34178 4 2 1 HEC HAA2 H 4.933 -5.599 12.106 1.00 . D A . 71 HEC HAA2 1 1 28 34179 4 2 1 HEC HAB H -4.035 -9.916 7.908 1.00 . D A . 71 HEC HAB 1 1 28 34180 4 2 1 HEC HAC H -1.660 -4.285 2.873 1.00 . D A . 71 HEC HAC 1 1 28 34181 4 2 1 HEC HAD1 H 4.539 -2.283 5.531 1.00 . D A . 71 HEC HAD1 1 1 28 34182 4 2 1 HEC HAD2 H 3.842 -1.374 6.850 1.00 . D A . 71 HEC HAD2 1 1 28 34183 4 2 1 HEC HBA1 H 5.579 -7.767 11.136 1.00 . D A . 71 HEC HBA1 1 1 28 34184 4 2 1 HEC HBA2 H 5.878 -6.981 9.574 1.00 . D A . 71 HEC HBA2 1 1 28 34185 4 2 1 HEC HBB1 H -3.787 -10.612 10.825 1.00 . D A . 71 HEC HBB1 1 1 28 34186 4 2 1 HEC HBB2 H -4.188 -9.011 10.163 1.00 . D A . 71 HEC HBB2 1 1 28 34187 4 2 1 HEC HBB3 H -5.255 -10.398 9.858 1.00 . D A . 71 HEC HBB3 1 1 28 34188 4 2 1 HEC HBC1 H -3.651 -4.158 1.927 1.00 . D A . 71 HEC HBC1 1 1 28 34189 4 2 1 HEC HBC2 H -3.813 -5.891 1.658 1.00 . D A . 71 HEC HBC2 1 1 28 34190 4 2 1 HEC HBC3 H -4.118 -5.219 3.267 1.00 . D A . 71 HEC HBC3 1 1 28 34191 4 2 1 HEC HBD1 H 5.229 -2.532 8.417 1.00 . D A . 71 HEC HBD1 1 1 28 34192 4 2 1 HEC HBD2 H 5.423 -3.908 7.284 1.00 . D A . 71 HEC HBD2 1 1 28 34193 4 2 1 HEC HHA H 4.031 -4.152 8.917 1.00 . D A . 71 HEC HHA 1 1 28 34194 4 2 1 HEC HHB H 0.928 -9.167 11.298 1.00 . D A . 71 HEC HHB 1 1 28 34195 4 2 1 HEC HHC H -2.954 -9.092 6.243 1.00 . D A . 71 HEC HHC 1 1 28 34196 4 2 1 HEC HHD H 0.190 -4.192 3.838 1.00 . D A . 71 HEC HHD 1 1 28 34197 4 2 1 HEC HMA1 H 3.970 -7.551 12.895 1.00 . D A . 71 HEC HMA1 1 1 28 34198 4 2 1 HEC HMA2 H 2.244 -7.319 13.216 1.00 . D A . 71 HEC HMA2 1 1 28 34199 4 2 1 HEC HMA3 H 2.818 -8.841 12.511 1.00 . D A . 71 HEC HMA3 1 1 28 34200 4 2 1 HEC HMB1 H -1.391 -10.477 11.747 1.00 . D A . 71 HEC HMB1 1 1 28 34201 4 2 1 HEC HMB2 H -1.745 -11.778 10.583 1.00 . D A . 71 HEC HMB2 1 1 28 34202 4 2 1 HEC HMB3 H -0.071 -11.344 10.924 1.00 . D A . 71 HEC HMB3 1 1 28 34203 4 2 1 HEC HMC1 H -3.167 -9.061 3.941 1.00 . D A . 71 HEC HMC1 1 1 28 34204 4 2 1 HEC HMC2 H -4.373 -7.847 4.420 1.00 . D A . 71 HEC HMC2 1 1 28 34205 4 2 1 HEC HMC3 H -3.548 -7.745 2.843 1.00 . D A . 71 HEC HMC3 1 1 28 34206 4 2 1 HEC HMD1 H 1.108 -2.008 4.127 1.00 . D A . 71 HEC HMD1 1 1 28 34207 4 2 1 HEC HMD2 H 2.835 -1.664 4.267 1.00 . D A . 71 HEC HMD2 1 1 28 34208 4 2 1 HEC HMD3 H 2.240 -3.067 3.332 1.00 . D A . 71 HEC HMD3 1 1 28 34209 4 2 1 HEC NA N 1.756 -6.618 9.204 1.00 . D A . 71 HEC NA 1 1 28 34210 4 2 1 HEC NB N -0.448 -8.223 8.351 1.00 . D A . 71 HEC NB 1 1 28 34211 4 2 1 HEC NC N -0.734 -6.594 6.032 1.00 . D A . 71 HEC NC 1 1 28 34212 4 2 1 HEC ND N 1.485 -4.989 6.862 1.00 . D A . 71 HEC ND 1 1 28 34213 4 2 1 HEC O1A O 8.221 -7.393 10.611 1.00 . D A . 71 HEC O1A 1 1 28 34214 4 2 1 HEC O1D O 7.077 -1.223 7.463 1.00 . D A . 71 HEC O1D 1 1 28 34215 4 2 1 HEC O2A O 7.553 -5.768 11.994 1.00 . D A . 71 HEC O2A 1 1 28 34216 4 2 1 HEC O2D O 7.108 -2.777 5.838 1.00 . D A . 71 HEC O2D 1 1 29 34217 1 1 1 ALA C C 9.263 3.265 -8.102 1.00 . A A . 1 ALA C 1 1 29 34218 1 1 1 ALA CA C 9.720 4.656 -7.674 1.00 . A A . 1 ALA CA 1 1 29 34219 1 1 1 ALA CB C 10.502 4.607 -6.357 1.00 . A A . 1 ALA CB 1 1 29 34220 1 1 1 ALA H1 H 7.875 5.136 -6.917 1.00 . A A . 1 ALA H1 1 1 29 34221 1 1 1 ALA H2 H 8.801 6.456 -7.266 1.00 . A A . 1 ALA H2 1 1 29 34222 1 1 1 ALA H3 H 8.099 5.588 -8.483 1.00 . A A . 1 ALA H3 1 1 29 34223 1 1 1 ALA HA H 10.386 5.065 -8.437 1.00 . A A . 1 ALA HA 1 1 29 34224 1 1 1 ALA HB1 H 10.863 5.604 -6.100 1.00 . A A . 1 ALA HB1 1 1 29 34225 1 1 1 ALA HB2 H 9.874 4.234 -5.548 1.00 . A A . 1 ALA HB2 1 1 29 34226 1 1 1 ALA HB3 H 11.361 3.943 -6.471 1.00 . A A . 1 ALA HB3 1 1 29 34227 1 1 1 ALA N N 8.537 5.532 -7.573 1.00 . A A . 1 ALA N 1 1 29 34228 1 1 1 ALA O O 8.755 2.516 -7.272 1.00 . A A . 1 ALA O 1 1 29 34229 1 1 2 ASP C C 8.759 0.566 -9.691 1.00 . A A . 2 ASP C 1 1 29 34230 1 1 2 ASP CA C 8.602 2.011 -10.173 1.00 . A A . 2 ASP CA 1 1 29 34231 1 1 2 ASP CB C 8.975 2.185 -11.655 1.00 . A A . 2 ASP CB 1 1 29 34232 1 1 2 ASP CG C 8.665 3.590 -12.166 1.00 . A A . 2 ASP CG 1 1 29 34233 1 1 2 ASP H H 9.683 3.738 -10.023 1.00 . A A . 2 ASP H 1 1 29 34234 1 1 2 ASP HA H 7.549 2.270 -10.075 1.00 . A A . 2 ASP HA 1 1 29 34235 1 1 2 ASP HB2 H 10.040 1.994 -11.788 1.00 . A A . 2 ASP HB2 1 1 29 34236 1 1 2 ASP HB3 H 8.426 1.459 -12.254 1.00 . A A . 2 ASP HB3 1 1 29 34237 1 1 2 ASP N N 9.344 2.998 -9.405 1.00 . A A . 2 ASP N 1 1 29 34238 1 1 2 ASP O O 9.403 -0.253 -10.341 1.00 . A A . 2 ASP O 1 1 29 34239 1 1 2 ASP OD1 O 9.120 4.544 -11.489 1.00 . A A . 2 ASP OD1 1 1 29 34240 1 1 2 ASP OD2 O 7.956 3.684 -13.189 1.00 . A A . 2 ASP OD2 1 1 29 34241 1 1 3 VAL C C 9.200 -1.178 -6.980 1.00 . A A . 3 VAL C 1 1 29 34242 1 1 3 VAL CA C 7.983 -1.000 -7.887 1.00 . A A . 3 VAL CA 1 1 29 34243 1 1 3 VAL CB C 7.686 -2.202 -8.807 1.00 . A A . 3 VAL CB 1 1 29 34244 1 1 3 VAL CG1 C 7.456 -3.474 -7.977 1.00 . A A . 3 VAL CG1 1 1 29 34245 1 1 3 VAL CG2 C 6.422 -1.947 -9.641 1.00 . A A . 3 VAL CG2 1 1 29 34246 1 1 3 VAL H H 7.784 1.083 -8.055 1.00 . A A . 3 VAL H 1 1 29 34247 1 1 3 VAL HA H 7.117 -0.880 -7.248 1.00 . A A . 3 VAL HA 1 1 29 34248 1 1 3 VAL HB H 8.526 -2.392 -9.474 1.00 . A A . 3 VAL HB 1 1 29 34249 1 1 3 VAL HG11 H 6.637 -3.326 -7.273 1.00 . A A . 3 VAL HG11 1 1 29 34250 1 1 3 VAL HG12 H 7.202 -4.304 -8.639 1.00 . A A . 3 VAL HG12 1 1 29 34251 1 1 3 VAL HG13 H 8.359 -3.741 -7.428 1.00 . A A . 3 VAL HG13 1 1 29 34252 1 1 3 VAL HG21 H 6.183 -2.830 -10.233 1.00 . A A . 3 VAL HG21 1 1 29 34253 1 1 3 VAL HG22 H 5.579 -1.719 -8.988 1.00 . A A . 3 VAL HG22 1 1 29 34254 1 1 3 VAL HG23 H 6.584 -1.114 -10.323 1.00 . A A . 3 VAL HG23 1 1 29 34255 1 1 3 VAL N N 8.076 0.273 -8.584 1.00 . A A . 3 VAL N 1 1 29 34256 1 1 3 VAL O O 10.337 -0.973 -7.400 1.00 . A A . 3 VAL O 1 1 29 34257 1 1 4 VAL C C 9.374 -2.605 -3.636 1.00 . A A . 4 VAL C 1 1 29 34258 1 1 4 VAL CA C 9.987 -1.714 -4.709 1.00 . A A . 4 VAL CA 1 1 29 34259 1 1 4 VAL CB C 10.455 -0.349 -4.154 1.00 . A A . 4 VAL CB 1 1 29 34260 1 1 4 VAL CG1 C 9.355 0.366 -3.358 1.00 . A A . 4 VAL CG1 1 1 29 34261 1 1 4 VAL CG2 C 11.703 -0.452 -3.266 1.00 . A A . 4 VAL CG2 1 1 29 34262 1 1 4 VAL H H 8.014 -1.743 -5.405 1.00 . A A . 4 VAL H 1 1 29 34263 1 1 4 VAL HA H 10.831 -2.239 -5.161 1.00 . A A . 4 VAL HA 1 1 29 34264 1 1 4 VAL HB H 10.725 0.278 -5.004 1.00 . A A . 4 VAL HB 1 1 29 34265 1 1 4 VAL HG11 H 9.736 1.316 -2.984 1.00 . A A . 4 VAL HG11 1 1 29 34266 1 1 4 VAL HG12 H 8.505 0.568 -4.008 1.00 . A A . 4 VAL HG12 1 1 29 34267 1 1 4 VAL HG13 H 9.039 -0.243 -2.507 1.00 . A A . 4 VAL HG13 1 1 29 34268 1 1 4 VAL HG21 H 12.424 -1.142 -3.706 1.00 . A A . 4 VAL HG21 1 1 29 34269 1 1 4 VAL HG22 H 12.165 0.532 -3.183 1.00 . A A . 4 VAL HG22 1 1 29 34270 1 1 4 VAL HG23 H 11.443 -0.784 -2.259 1.00 . A A . 4 VAL HG23 1 1 29 34271 1 1 4 VAL N N 8.956 -1.516 -5.713 1.00 . A A . 4 VAL N 1 1 29 34272 1 1 4 VAL O O 8.193 -2.956 -3.713 1.00 . A A . 4 VAL O 1 1 29 34273 1 1 5 THR C C 10.473 -3.192 -0.224 1.00 . A A . 5 THR C 1 1 29 34274 1 1 5 THR CA C 9.595 -3.505 -1.411 1.00 . A A . 5 THR CA 1 1 29 34275 1 1 5 THR CB C 9.470 -5.024 -1.605 1.00 . A A . 5 THR CB 1 1 29 34276 1 1 5 THR CG2 C 10.789 -5.726 -1.951 1.00 . A A . 5 THR CG2 1 1 29 34277 1 1 5 THR H H 11.125 -2.698 -2.576 1.00 . A A . 5 THR H 1 1 29 34278 1 1 5 THR HA H 8.651 -2.972 -1.178 1.00 . A A . 5 THR HA 1 1 29 34279 1 1 5 THR HB H 8.772 -5.201 -2.413 1.00 . A A . 5 THR HB 1 1 29 34280 1 1 5 THR HG1 H 8.236 -5.007 -0.183 1.00 . A A . 5 THR HG1 1 1 29 34281 1 1 5 THR HG21 H 11.519 -5.585 -1.154 1.00 . A A . 5 THR HG21 1 1 29 34282 1 1 5 THR HG22 H 10.604 -6.794 -2.071 1.00 . A A . 5 THR HG22 1 1 29 34283 1 1 5 THR HG23 H 11.196 -5.338 -2.885 1.00 . A A . 5 THR HG23 1 1 29 34284 1 1 5 THR N N 10.146 -2.934 -2.607 1.00 . A A . 5 THR N 1 1 29 34285 1 1 5 THR O O 11.671 -2.946 -0.350 1.00 . A A . 5 THR O 1 1 29 34286 1 1 5 THR OG1 O 8.956 -5.594 -0.434 1.00 . A A . 5 THR OG1 1 1 29 34287 1 1 6 TYR C C 10.370 -4.300 2.887 1.00 . A A . 6 TYR C 1 1 29 34288 1 1 6 TYR CA C 10.354 -2.933 2.220 1.00 . A A . 6 TYR CA 1 1 29 34289 1 1 6 TYR CB C 9.497 -1.891 2.939 1.00 . A A . 6 TYR CB 1 1 29 34290 1 1 6 TYR CD1 C 9.812 -0.127 1.112 1.00 . A A . 6 TYR CD1 1 1 29 34291 1 1 6 TYR CD2 C 9.645 0.590 3.425 1.00 . A A . 6 TYR CD2 1 1 29 34292 1 1 6 TYR CE1 C 10.031 1.195 0.705 1.00 . A A . 6 TYR CE1 1 1 29 34293 1 1 6 TYR CE2 C 9.803 1.926 3.011 1.00 . A A . 6 TYR CE2 1 1 29 34294 1 1 6 TYR CG C 9.689 -0.451 2.478 1.00 . A A . 6 TYR CG 1 1 29 34295 1 1 6 TYR CZ C 10.074 2.217 1.662 1.00 . A A . 6 TYR CZ 1 1 29 34296 1 1 6 TYR H H 8.817 -3.406 0.880 1.00 . A A . 6 TYR H 1 1 29 34297 1 1 6 TYR HA H 11.370 -2.546 2.159 1.00 . A A . 6 TYR HA 1 1 29 34298 1 1 6 TYR HB2 H 8.451 -2.157 2.815 1.00 . A A . 6 TYR HB2 1 1 29 34299 1 1 6 TYR HB3 H 9.744 -1.946 3.999 1.00 . A A . 6 TYR HB3 1 1 29 34300 1 1 6 TYR HD1 H 9.599 -0.839 0.338 1.00 . A A . 6 TYR HD1 1 1 29 34301 1 1 6 TYR HD2 H 9.443 0.361 4.462 1.00 . A A . 6 TYR HD2 1 1 29 34302 1 1 6 TYR HE1 H 10.001 1.420 -0.349 1.00 . A A . 6 TYR HE1 1 1 29 34303 1 1 6 TYR HE2 H 9.667 2.729 3.718 1.00 . A A . 6 TYR HE2 1 1 29 34304 1 1 6 TYR HH H 10.562 3.564 0.338 1.00 . A A . 6 TYR HH 1 1 29 34305 1 1 6 TYR N N 9.800 -3.178 0.919 1.00 . A A . 6 TYR N 1 1 29 34306 1 1 6 TYR O O 9.339 -4.812 3.339 1.00 . A A . 6 TYR O 1 1 29 34307 1 1 6 TYR OH O 10.333 3.493 1.265 1.00 . A A . 6 TYR OH 1 1 29 34308 1 1 7 GLU C C 11.457 -6.013 5.011 1.00 . A A . 7 GLU C 1 1 29 34309 1 1 7 GLU CA C 11.755 -6.198 3.517 1.00 . A A . 7 GLU CA 1 1 29 34310 1 1 7 GLU CB C 13.130 -6.787 3.165 1.00 . A A . 7 GLU CB 1 1 29 34311 1 1 7 GLU CD C 14.692 -6.818 5.189 1.00 . A A . 7 GLU CD 1 1 29 34312 1 1 7 GLU CG C 14.314 -6.120 3.882 1.00 . A A . 7 GLU CG 1 1 29 34313 1 1 7 GLU H H 12.305 -4.514 2.337 1.00 . A A . 7 GLU H 1 1 29 34314 1 1 7 GLU HA H 11.017 -6.882 3.107 1.00 . A A . 7 GLU HA 1 1 29 34315 1 1 7 GLU HB2 H 13.133 -7.855 3.390 1.00 . A A . 7 GLU HB2 1 1 29 34316 1 1 7 GLU HB3 H 13.275 -6.688 2.089 1.00 . A A . 7 GLU HB3 1 1 29 34317 1 1 7 GLU HG2 H 15.186 -6.176 3.231 1.00 . A A . 7 GLU HG2 1 1 29 34318 1 1 7 GLU HG3 H 14.101 -5.070 4.083 1.00 . A A . 7 GLU HG3 1 1 29 34319 1 1 7 GLU N N 11.538 -4.942 2.831 1.00 . A A . 7 GLU N 1 1 29 34320 1 1 7 GLU O O 11.666 -4.942 5.579 1.00 . A A . 7 GLU O 1 1 29 34321 1 1 7 GLU OE1 O 13.850 -7.590 5.701 1.00 . A A . 7 GLU OE1 1 1 29 34322 1 1 7 GLU OE2 O 15.836 -6.591 5.635 1.00 . A A . 7 GLU OE2 1 1 29 34323 1 1 8 ASN C C 10.193 -8.494 7.367 1.00 . A A . 8 ASN C 1 1 29 34324 1 1 8 ASN CA C 10.278 -7.036 6.937 1.00 . A A . 8 ASN CA 1 1 29 34325 1 1 8 ASN CB C 8.892 -6.383 6.931 1.00 . A A . 8 ASN CB 1 1 29 34326 1 1 8 ASN CG C 7.936 -7.129 6.007 1.00 . A A . 8 ASN CG 1 1 29 34327 1 1 8 ASN H H 10.850 -7.924 5.129 1.00 . A A . 8 ASN H 1 1 29 34328 1 1 8 ASN HA H 10.938 -6.498 7.618 1.00 . A A . 8 ASN HA 1 1 29 34329 1 1 8 ASN HB2 H 8.487 -6.389 7.940 1.00 . A A . 8 ASN HB2 1 1 29 34330 1 1 8 ASN HB3 H 8.980 -5.341 6.614 1.00 . A A . 8 ASN HB3 1 1 29 34331 1 1 8 ASN HD21 H 8.332 -5.831 4.490 1.00 . A A . 8 ASN HD21 1 1 29 34332 1 1 8 ASN HD22 H 7.152 -7.092 4.142 1.00 . A A . 8 ASN HD22 1 1 29 34333 1 1 8 ASN N N 10.849 -7.036 5.602 1.00 . A A . 8 ASN N 1 1 29 34334 1 1 8 ASN ND2 N 7.805 -6.662 4.774 1.00 . A A . 8 ASN ND2 1 1 29 34335 1 1 8 ASN O O 10.458 -9.389 6.561 1.00 . A A . 8 ASN O 1 1 29 34336 1 1 8 ASN OD1 O 7.348 -8.147 6.369 1.00 . A A . 8 ASN OD1 1 1 29 34337 1 1 9 LYS C C 8.761 -10.967 8.812 1.00 . A A . 9 LYS C 1 1 29 34338 1 1 9 LYS CA C 9.937 -10.069 9.208 1.00 . A A . 9 LYS CA 1 1 29 34339 1 1 9 LYS CB C 10.087 -9.950 10.735 1.00 . A A . 9 LYS CB 1 1 29 34340 1 1 9 LYS CD C 11.524 -12.002 11.317 1.00 . A A . 9 LYS CD 1 1 29 34341 1 1 9 LYS CE C 12.024 -12.632 10.006 1.00 . A A . 9 LYS CE 1 1 29 34342 1 1 9 LYS CG C 11.431 -10.467 11.269 1.00 . A A . 9 LYS CG 1 1 29 34343 1 1 9 LYS H H 9.303 -8.062 9.169 1.00 . A A . 9 LYS H 1 1 29 34344 1 1 9 LYS HA H 10.850 -10.491 8.797 1.00 . A A . 9 LYS HA 1 1 29 34345 1 1 9 LYS HB2 H 10.007 -8.900 11.026 1.00 . A A . 9 LYS HB2 1 1 29 34346 1 1 9 LYS HB3 H 9.286 -10.486 11.239 1.00 . A A . 9 LYS HB3 1 1 29 34347 1 1 9 LYS HD2 H 12.230 -12.250 12.113 1.00 . A A . 9 LYS HD2 1 1 29 34348 1 1 9 LYS HD3 H 10.547 -12.409 11.584 1.00 . A A . 9 LYS HD3 1 1 29 34349 1 1 9 LYS HE2 H 11.292 -12.493 9.214 1.00 . A A . 9 LYS HE2 1 1 29 34350 1 1 9 LYS HE3 H 12.958 -12.153 9.706 1.00 . A A . 9 LYS HE3 1 1 29 34351 1 1 9 LYS HG2 H 12.259 -10.032 10.703 1.00 . A A . 9 LYS HG2 1 1 29 34352 1 1 9 LYS HG3 H 11.513 -10.103 12.295 1.00 . A A . 9 LYS HG3 1 1 29 34353 1 1 9 LYS HZ1 H 11.363 -14.541 10.366 1.00 . A A . 9 LYS HZ1 1 1 29 34354 1 1 9 LYS HZ2 H 12.572 -14.457 9.257 1.00 . A A . 9 LYS HZ2 1 1 29 34355 1 1 9 LYS HZ3 H 12.919 -14.283 10.856 1.00 . A A . 9 LYS HZ3 1 1 29 34356 1 1 9 LYS N N 9.817 -8.752 8.620 1.00 . A A . 9 LYS N 1 1 29 34357 1 1 9 LYS NZ N 12.237 -14.087 10.136 1.00 . A A . 9 LYS NZ 1 1 29 34358 1 1 9 LYS O O 8.836 -12.176 9.023 1.00 . A A . 9 LYS O 1 1 29 34359 1 1 10 LYS C C 7.048 -11.745 6.369 1.00 . A A . 10 LYS C 1 1 29 34360 1 1 10 LYS CA C 6.590 -11.194 7.714 1.00 . A A . 10 LYS CA 1 1 29 34361 1 1 10 LYS CB C 5.284 -10.398 7.558 1.00 . A A . 10 LYS CB 1 1 29 34362 1 1 10 LYS CD C 4.425 -10.237 9.995 1.00 . A A . 10 LYS CD 1 1 29 34363 1 1 10 LYS CE C 5.519 -10.871 10.869 1.00 . A A . 10 LYS CE 1 1 29 34364 1 1 10 LYS CG C 4.886 -9.498 8.729 1.00 . A A . 10 LYS CG 1 1 29 34365 1 1 10 LYS H H 7.658 -9.391 8.161 1.00 . A A . 10 LYS H 1 1 29 34366 1 1 10 LYS HA H 6.385 -12.061 8.340 1.00 . A A . 10 LYS HA 1 1 29 34367 1 1 10 LYS HB2 H 5.372 -9.736 6.700 1.00 . A A . 10 LYS HB2 1 1 29 34368 1 1 10 LYS HB3 H 4.472 -11.094 7.349 1.00 . A A . 10 LYS HB3 1 1 29 34369 1 1 10 LYS HD2 H 3.886 -9.515 10.603 1.00 . A A . 10 LYS HD2 1 1 29 34370 1 1 10 LYS HD3 H 3.710 -11.009 9.705 1.00 . A A . 10 LYS HD3 1 1 29 34371 1 1 10 LYS HE2 H 5.051 -11.238 11.783 1.00 . A A . 10 LYS HE2 1 1 29 34372 1 1 10 LYS HE3 H 5.961 -11.724 10.366 1.00 . A A . 10 LYS HE3 1 1 29 34373 1 1 10 LYS HG2 H 5.680 -8.783 8.923 1.00 . A A . 10 LYS HG2 1 1 29 34374 1 1 10 LYS HG3 H 4.032 -8.914 8.375 1.00 . A A . 10 LYS HG3 1 1 29 34375 1 1 10 LYS HZ1 H 7.051 -9.477 10.452 1.00 . A A . 10 LYS HZ1 1 1 29 34376 1 1 10 LYS HZ2 H 6.260 -9.110 11.757 1.00 . A A . 10 LYS HZ2 1 1 29 34377 1 1 10 LYS HZ3 H 7.300 -10.368 11.813 1.00 . A A . 10 LYS HZ3 1 1 29 34378 1 1 10 LYS N N 7.667 -10.398 8.290 1.00 . A A . 10 LYS N 1 1 29 34379 1 1 10 LYS NZ N 6.593 -9.931 11.246 1.00 . A A . 10 LYS NZ 1 1 29 34380 1 1 10 LYS O O 7.224 -12.951 6.226 1.00 . A A . 10 LYS O 1 1 29 34381 1 1 11 GLY C C 7.196 -10.216 2.995 1.00 . A A . 11 GLY C 1 1 29 34382 1 1 11 GLY CA C 7.511 -11.294 4.023 1.00 . A A . 11 GLY CA 1 1 29 34383 1 1 11 GLY H H 7.150 -9.872 5.608 1.00 . A A . 11 GLY H 1 1 29 34384 1 1 11 GLY HA2 H 8.568 -11.554 3.949 1.00 . A A . 11 GLY HA2 1 1 29 34385 1 1 11 GLY HA3 H 6.926 -12.178 3.773 1.00 . A A . 11 GLY HA3 1 1 29 34386 1 1 11 GLY N N 7.227 -10.863 5.384 1.00 . A A . 11 GLY N 1 1 29 34387 1 1 11 GLY O O 6.344 -10.407 2.132 1.00 . A A . 11 GLY O 1 1 29 34388 1 1 12 ASN C C 7.080 -7.554 1.345 1.00 . A A . 12 ASN C 1 1 29 34389 1 1 12 ASN CA C 8.296 -8.214 1.993 1.00 . A A . 12 ASN CA 1 1 29 34390 1 1 12 ASN CB C 9.145 -8.927 0.933 1.00 . A A . 12 ASN CB 1 1 29 34391 1 1 12 ASN CG C 10.309 -9.772 1.462 1.00 . A A . 12 ASN CG 1 1 29 34392 1 1 12 ASN H H 8.493 -9.035 3.935 1.00 . A A . 12 ASN H 1 1 29 34393 1 1 12 ASN HA H 8.920 -7.424 2.405 1.00 . A A . 12 ASN HA 1 1 29 34394 1 1 12 ASN HB2 H 8.472 -9.562 0.369 1.00 . A A . 12 ASN HB2 1 1 29 34395 1 1 12 ASN HB3 H 9.551 -8.180 0.251 1.00 . A A . 12 ASN HB3 1 1 29 34396 1 1 12 ASN HD21 H 10.360 -8.824 3.264 1.00 . A A . 12 ASN HD21 1 1 29 34397 1 1 12 ASN HD22 H 11.535 -10.099 3.036 1.00 . A A . 12 ASN HD22 1 1 29 34398 1 1 12 ASN N N 7.938 -9.110 3.095 1.00 . A A . 12 ASN N 1 1 29 34399 1 1 12 ASN ND2 N 10.772 -9.537 2.690 1.00 . A A . 12 ASN ND2 1 1 29 34400 1 1 12 ASN O O 6.436 -8.112 0.463 1.00 . A A . 12 ASN O 1 1 29 34401 1 1 12 ASN OD1 O 10.792 -10.658 0.768 1.00 . A A . 12 ASN OD1 1 1 29 34402 1 1 13 VAL C C 5.905 -5.196 -0.188 1.00 . A A . 13 VAL C 1 1 29 34403 1 1 13 VAL CA C 5.647 -5.579 1.266 1.00 . A A . 13 VAL CA 1 1 29 34404 1 1 13 VAL CB C 5.430 -4.308 2.100 1.00 . A A . 13 VAL CB 1 1 29 34405 1 1 13 VAL CG1 C 4.237 -3.506 1.569 1.00 . A A . 13 VAL CG1 1 1 29 34406 1 1 13 VAL CG2 C 5.176 -4.645 3.569 1.00 . A A . 13 VAL CG2 1 1 29 34407 1 1 13 VAL H H 7.457 -5.880 2.376 1.00 . A A . 13 VAL H 1 1 29 34408 1 1 13 VAL HA H 4.748 -6.192 1.329 1.00 . A A . 13 VAL HA 1 1 29 34409 1 1 13 VAL HB H 6.321 -3.679 2.049 1.00 . A A . 13 VAL HB 1 1 29 34410 1 1 13 VAL HG11 H 3.310 -4.035 1.789 1.00 . A A . 13 VAL HG11 1 1 29 34411 1 1 13 VAL HG12 H 4.236 -2.529 2.045 1.00 . A A . 13 VAL HG12 1 1 29 34412 1 1 13 VAL HG13 H 4.296 -3.343 0.496 1.00 . A A . 13 VAL HG13 1 1 29 34413 1 1 13 VAL HG21 H 6.097 -4.998 4.024 1.00 . A A . 13 VAL HG21 1 1 29 34414 1 1 13 VAL HG22 H 4.877 -3.739 4.087 1.00 . A A . 13 VAL HG22 1 1 29 34415 1 1 13 VAL HG23 H 4.394 -5.397 3.667 1.00 . A A . 13 VAL HG23 1 1 29 34416 1 1 13 VAL N N 6.786 -6.331 1.773 1.00 . A A . 13 VAL N 1 1 29 34417 1 1 13 VAL O O 6.644 -4.242 -0.428 1.00 . A A . 13 VAL O 1 1 29 34418 1 1 14 THR C C 4.678 -4.043 -2.626 1.00 . A A . 14 THR C 1 1 29 34419 1 1 14 THR CA C 5.353 -5.417 -2.533 1.00 . A A . 14 THR CA 1 1 29 34420 1 1 14 THR CB C 4.693 -6.449 -3.455 1.00 . A A . 14 THR CB 1 1 29 34421 1 1 14 THR CG2 C 4.839 -6.069 -4.931 1.00 . A A . 14 THR CG2 1 1 29 34422 1 1 14 THR H H 4.819 -6.750 -0.942 1.00 . A A . 14 THR H 1 1 29 34423 1 1 14 THR HA H 6.399 -5.318 -2.826 1.00 . A A . 14 THR HA 1 1 29 34424 1 1 14 THR HB H 3.632 -6.538 -3.213 1.00 . A A . 14 THR HB 1 1 29 34425 1 1 14 THR HG1 H 6.254 -7.573 -3.125 1.00 . A A . 14 THR HG1 1 1 29 34426 1 1 14 THR HG21 H 4.320 -5.131 -5.132 1.00 . A A . 14 THR HG21 1 1 29 34427 1 1 14 THR HG22 H 5.890 -5.965 -5.198 1.00 . A A . 14 THR HG22 1 1 29 34428 1 1 14 THR HG23 H 4.386 -6.846 -5.548 1.00 . A A . 14 THR HG23 1 1 29 34429 1 1 14 THR N N 5.316 -5.892 -1.159 1.00 . A A . 14 THR N 1 1 29 34430 1 1 14 THR O O 3.465 -3.929 -2.456 1.00 . A A . 14 THR O 1 1 29 34431 1 1 14 THR OG1 O 5.310 -7.702 -3.244 1.00 . A A . 14 THR OG1 1 1 29 34432 1 1 15 PHE C C 4.698 -1.748 -4.763 1.00 . A A . 15 PHE C 1 1 29 34433 1 1 15 PHE CA C 4.939 -1.696 -3.270 1.00 . A A . 15 PHE CA 1 1 29 34434 1 1 15 PHE CB C 5.943 -0.569 -3.023 1.00 . A A . 15 PHE CB 1 1 29 34435 1 1 15 PHE CD1 C 6.029 -0.919 -0.510 1.00 . A A . 15 PHE CD1 1 1 29 34436 1 1 15 PHE CD2 C 6.498 1.284 -1.440 1.00 . A A . 15 PHE CD2 1 1 29 34437 1 1 15 PHE CE1 C 6.394 -0.462 0.764 1.00 . A A . 15 PHE CE1 1 1 29 34438 1 1 15 PHE CE2 C 6.905 1.726 -0.176 1.00 . A A . 15 PHE CE2 1 1 29 34439 1 1 15 PHE CG C 6.099 -0.053 -1.616 1.00 . A A . 15 PHE CG 1 1 29 34440 1 1 15 PHE CZ C 6.850 0.853 0.918 1.00 . A A . 15 PHE CZ 1 1 29 34441 1 1 15 PHE H H 6.461 -3.140 -2.986 1.00 . A A . 15 PHE H 1 1 29 34442 1 1 15 PHE HA H 4.011 -1.465 -2.741 1.00 . A A . 15 PHE HA 1 1 29 34443 1 1 15 PHE HB2 H 6.914 -0.887 -3.384 1.00 . A A . 15 PHE HB2 1 1 29 34444 1 1 15 PHE HB3 H 5.626 0.279 -3.633 1.00 . A A . 15 PHE HB3 1 1 29 34445 1 1 15 PHE HD1 H 5.749 -1.950 -0.628 1.00 . A A . 15 PHE HD1 1 1 29 34446 1 1 15 PHE HD2 H 6.573 1.956 -2.283 1.00 . A A . 15 PHE HD2 1 1 29 34447 1 1 15 PHE HE1 H 6.411 -1.139 1.611 1.00 . A A . 15 PHE HE1 1 1 29 34448 1 1 15 PHE HE2 H 7.329 2.710 -0.059 1.00 . A A . 15 PHE HE2 1 1 29 34449 1 1 15 PHE HZ H 7.326 1.129 1.834 1.00 . A A . 15 PHE HZ 1 1 29 34450 1 1 15 PHE N N 5.464 -2.995 -2.890 1.00 . A A . 15 PHE N 1 1 29 34451 1 1 15 PHE O O 5.627 -1.530 -5.543 1.00 . A A . 15 PHE O 1 1 29 34452 1 1 16 ASP C C 3.013 -0.280 -6.864 1.00 . A A . 16 ASP C 1 1 29 34453 1 1 16 ASP CA C 2.993 -1.779 -6.518 1.00 . A A . 16 ASP CA 1 1 29 34454 1 1 16 ASP CB C 1.591 -2.395 -6.598 1.00 . A A . 16 ASP CB 1 1 29 34455 1 1 16 ASP CG C 1.653 -3.901 -6.772 1.00 . A A . 16 ASP CG 1 1 29 34456 1 1 16 ASP H H 2.769 -2.253 -4.468 1.00 . A A . 16 ASP H 1 1 29 34457 1 1 16 ASP HA H 3.648 -2.302 -7.216 1.00 . A A . 16 ASP HA 1 1 29 34458 1 1 16 ASP HB2 H 1.031 -2.159 -5.694 1.00 . A A . 16 ASP HB2 1 1 29 34459 1 1 16 ASP HB3 H 1.044 -2.012 -7.447 1.00 . A A . 16 ASP HB3 1 1 29 34460 1 1 16 ASP N N 3.453 -1.963 -5.156 1.00 . A A . 16 ASP N 1 1 29 34461 1 1 16 ASP O O 1.967 0.325 -7.059 1.00 . A A . 16 ASP O 1 1 29 34462 1 1 16 ASP OD1 O 1.841 -4.582 -5.744 1.00 . A A . 16 ASP OD1 1 1 29 34463 1 1 16 ASP OD2 O 1.540 -4.328 -7.941 1.00 . A A . 16 ASP OD2 1 1 29 34464 1 1 17 HIS C C 3.835 2.248 -8.441 1.00 . A A . 17 HIS C 1 1 29 34465 1 1 17 HIS CA C 4.347 1.785 -7.072 1.00 . A A . 17 HIS CA 1 1 29 34466 1 1 17 HIS CB C 5.816 2.197 -6.837 1.00 . A A . 17 HIS CB 1 1 29 34467 1 1 17 HIS CD2 C 5.229 4.472 -5.767 1.00 . A A . 17 HIS CD2 1 1 29 34468 1 1 17 HIS CE1 C 6.915 4.668 -4.382 1.00 . A A . 17 HIS CE1 1 1 29 34469 1 1 17 HIS CG C 6.041 3.382 -5.930 1.00 . A A . 17 HIS CG 1 1 29 34470 1 1 17 HIS H H 5.015 -0.227 -6.726 1.00 . A A . 17 HIS H 1 1 29 34471 1 1 17 HIS HA H 3.724 2.239 -6.298 1.00 . A A . 17 HIS HA 1 1 29 34472 1 1 17 HIS HB2 H 6.353 1.362 -6.386 1.00 . A A . 17 HIS HB2 1 1 29 34473 1 1 17 HIS HB3 H 6.295 2.437 -7.782 1.00 . A A . 17 HIS HB3 1 1 29 34474 1 1 17 HIS HD1 H 7.875 2.878 -4.971 1.00 . A A . 17 HIS HD1 1 1 29 34475 1 1 17 HIS HD2 H 4.302 4.653 -6.284 1.00 . A A . 17 HIS HD2 1 1 29 34476 1 1 17 HIS HE1 H 7.561 5.028 -3.600 1.00 . A A . 17 HIS HE1 1 1 29 34477 1 1 17 HIS N N 4.198 0.336 -6.935 1.00 . A A . 17 HIS N 1 1 29 34478 1 1 17 HIS ND1 N 7.106 3.528 -5.071 1.00 . A A . 17 HIS ND1 1 1 29 34479 1 1 17 HIS NE2 N 5.780 5.276 -4.762 1.00 . A A . 17 HIS NE2 1 1 29 34480 1 1 17 HIS O O 2.800 2.902 -8.535 1.00 . A A . 17 HIS O 1 1 29 34481 1 1 18 LYS C C 2.794 1.721 -11.161 1.00 . A A . 18 LYS C 1 1 29 34482 1 1 18 LYS CA C 4.213 2.206 -10.888 1.00 . A A . 18 LYS CA 1 1 29 34483 1 1 18 LYS CB C 5.233 1.554 -11.833 1.00 . A A . 18 LYS CB 1 1 29 34484 1 1 18 LYS CD C 5.928 1.124 -14.210 1.00 . A A . 18 LYS CD 1 1 29 34485 1 1 18 LYS CE C 5.458 0.678 -15.601 1.00 . A A . 18 LYS CE 1 1 29 34486 1 1 18 LYS CG C 4.759 1.500 -13.288 1.00 . A A . 18 LYS CG 1 1 29 34487 1 1 18 LYS H H 5.394 1.347 -9.349 1.00 . A A . 18 LYS H 1 1 29 34488 1 1 18 LYS HA H 4.249 3.285 -11.038 1.00 . A A . 18 LYS HA 1 1 29 34489 1 1 18 LYS HB2 H 6.143 2.148 -11.797 1.00 . A A . 18 LYS HB2 1 1 29 34490 1 1 18 LYS HB3 H 5.455 0.539 -11.507 1.00 . A A . 18 LYS HB3 1 1 29 34491 1 1 18 LYS HD2 H 6.601 1.980 -14.296 1.00 . A A . 18 LYS HD2 1 1 29 34492 1 1 18 LYS HD3 H 6.490 0.303 -13.760 1.00 . A A . 18 LYS HD3 1 1 29 34493 1 1 18 LYS HE2 H 6.332 0.505 -16.232 1.00 . A A . 18 LYS HE2 1 1 29 34494 1 1 18 LYS HE3 H 4.906 -0.259 -15.508 1.00 . A A . 18 LYS HE3 1 1 29 34495 1 1 18 LYS HG2 H 3.965 0.756 -13.383 1.00 . A A . 18 LYS HG2 1 1 29 34496 1 1 18 LYS HG3 H 4.366 2.481 -13.554 1.00 . A A . 18 LYS HG3 1 1 29 34497 1 1 18 LYS HZ1 H 3.725 1.761 -15.691 1.00 . A A . 18 LYS HZ1 1 1 29 34498 1 1 18 LYS HZ2 H 5.020 2.578 -16.301 1.00 . A A . 18 LYS HZ2 1 1 29 34499 1 1 18 LYS HZ3 H 4.287 1.361 -17.154 1.00 . A A . 18 LYS HZ3 1 1 29 34500 1 1 18 LYS N N 4.565 1.895 -9.507 1.00 . A A . 18 LYS N 1 1 29 34501 1 1 18 LYS NZ N 4.578 1.674 -16.241 1.00 . A A . 18 LYS NZ 1 1 29 34502 1 1 18 LYS O O 1.952 2.476 -11.625 1.00 . A A . 18 LYS O 1 1 29 34503 1 1 19 ALA C C 0.129 0.705 -10.339 1.00 . A A . 19 ALA C 1 1 29 34504 1 1 19 ALA CA C 1.241 -0.177 -10.921 1.00 . A A . 19 ALA CA 1 1 29 34505 1 1 19 ALA CB C 1.337 -1.494 -10.167 1.00 . A A . 19 ALA CB 1 1 29 34506 1 1 19 ALA H H 3.319 -0.090 -10.499 1.00 . A A . 19 ALA H 1 1 29 34507 1 1 19 ALA HA H 1.008 -0.392 -11.964 1.00 . A A . 19 ALA HA 1 1 29 34508 1 1 19 ALA HB1 H 1.835 -1.274 -9.228 1.00 . A A . 19 ALA HB1 1 1 29 34509 1 1 19 ALA HB2 H 0.344 -1.904 -9.983 1.00 . A A . 19 ALA HB2 1 1 29 34510 1 1 19 ALA HB3 H 1.936 -2.208 -10.729 1.00 . A A . 19 ALA HB3 1 1 29 34511 1 1 19 ALA N N 2.545 0.455 -10.844 1.00 . A A . 19 ALA N 1 1 29 34512 1 1 19 ALA O O -0.749 1.147 -11.072 1.00 . A A . 19 ALA O 1 1 29 34513 1 1 20 HIS C C -0.889 3.190 -9.042 1.00 . A A . 20 HIS C 1 1 29 34514 1 1 20 HIS CA C -0.901 1.795 -8.414 1.00 . A A . 20 HIS CA 1 1 29 34515 1 1 20 HIS CB C -0.768 1.840 -6.882 1.00 . A A . 20 HIS CB 1 1 29 34516 1 1 20 HIS CD2 C -1.807 0.424 -4.973 1.00 . A A . 20 HIS CD2 1 1 29 34517 1 1 20 HIS CE1 C -1.580 -1.566 -5.836 1.00 . A A . 20 HIS CE1 1 1 29 34518 1 1 20 HIS CG C -1.181 0.559 -6.189 1.00 . A A . 20 HIS CG 1 1 29 34519 1 1 20 HIS H H 0.927 0.700 -8.461 1.00 . A A . 20 HIS H 1 1 29 34520 1 1 20 HIS HA H -1.870 1.348 -8.635 1.00 . A A . 20 HIS HA 1 1 29 34521 1 1 20 HIS HB2 H 0.253 2.103 -6.603 1.00 . A A . 20 HIS HB2 1 1 29 34522 1 1 20 HIS HB3 H -1.419 2.625 -6.513 1.00 . A A . 20 HIS HB3 1 1 29 34523 1 1 20 HIS HD1 H -0.657 -0.930 -7.613 1.00 . A A . 20 HIS HD1 1 1 29 34524 1 1 20 HIS HD2 H -2.117 1.221 -4.320 1.00 . A A . 20 HIS HD2 1 1 29 34525 1 1 20 HIS HE1 H -1.630 -2.627 -6.004 1.00 . A A . 20 HIS HE1 1 1 29 34526 1 1 20 HIS N N 0.135 0.972 -9.030 1.00 . A A . 20 HIS N 1 1 29 34527 1 1 20 HIS ND1 N -1.064 -0.699 -6.720 1.00 . A A . 20 HIS ND1 1 1 29 34528 1 1 20 HIS NE2 N -2.044 -0.938 -4.744 1.00 . A A . 20 HIS NE2 1 1 29 34529 1 1 20 HIS O O -1.938 3.807 -9.198 1.00 . A A . 20 HIS O 1 1 29 34530 1 1 21 ALA C C -0.481 4.950 -11.429 1.00 . A A . 21 ALA C 1 1 29 34531 1 1 21 ALA CA C 0.342 4.973 -10.130 1.00 . A A . 21 ALA CA 1 1 29 34532 1 1 21 ALA CB C 1.795 5.409 -10.342 1.00 . A A . 21 ALA CB 1 1 29 34533 1 1 21 ALA H H 1.121 3.123 -9.337 1.00 . A A . 21 ALA H 1 1 29 34534 1 1 21 ALA HA H -0.109 5.716 -9.470 1.00 . A A . 21 ALA HA 1 1 29 34535 1 1 21 ALA HB1 H 2.306 4.760 -11.046 1.00 . A A . 21 ALA HB1 1 1 29 34536 1 1 21 ALA HB2 H 1.809 6.427 -10.731 1.00 . A A . 21 ALA HB2 1 1 29 34537 1 1 21 ALA HB3 H 2.327 5.381 -9.390 1.00 . A A . 21 ALA HB3 1 1 29 34538 1 1 21 ALA N N 0.279 3.688 -9.448 1.00 . A A . 21 ALA N 1 1 29 34539 1 1 21 ALA O O -1.353 5.785 -11.619 1.00 . A A . 21 ALA O 1 1 29 34540 1 1 22 GLU C C -2.421 3.536 -13.439 1.00 . A A . 22 GLU C 1 1 29 34541 1 1 22 GLU CA C -0.955 3.943 -13.607 1.00 . A A . 22 GLU CA 1 1 29 34542 1 1 22 GLU CB C -0.180 3.098 -14.631 1.00 . A A . 22 GLU CB 1 1 29 34543 1 1 22 GLU CD C 1.092 0.978 -15.141 1.00 . A A . 22 GLU CD 1 1 29 34544 1 1 22 GLU CG C 0.021 1.620 -14.270 1.00 . A A . 22 GLU CG 1 1 29 34545 1 1 22 GLU H H 0.386 3.261 -12.071 1.00 . A A . 22 GLU H 1 1 29 34546 1 1 22 GLU HA H -0.962 4.958 -14.013 1.00 . A A . 22 GLU HA 1 1 29 34547 1 1 22 GLU HB2 H -0.697 3.142 -15.590 1.00 . A A . 22 GLU HB2 1 1 29 34548 1 1 22 GLU HB3 H 0.800 3.561 -14.750 1.00 . A A . 22 GLU HB3 1 1 29 34549 1 1 22 GLU HG2 H 0.361 1.527 -13.247 1.00 . A A . 22 GLU HG2 1 1 29 34550 1 1 22 GLU HG3 H -0.916 1.075 -14.383 1.00 . A A . 22 GLU HG3 1 1 29 34551 1 1 22 GLU N N -0.263 3.990 -12.322 1.00 . A A . 22 GLU N 1 1 29 34552 1 1 22 GLU O O -3.304 4.130 -14.055 1.00 . A A . 22 GLU O 1 1 29 34553 1 1 22 GLU OE1 O 2.207 1.545 -15.183 1.00 . A A . 22 GLU OE1 1 1 29 34554 1 1 22 GLU OE2 O 0.802 -0.069 -15.752 1.00 . A A . 22 GLU OE2 1 1 29 34555 1 1 23 LYS C C -4.852 3.260 -11.655 1.00 . A A . 23 LYS C 1 1 29 34556 1 1 23 LYS CA C -4.029 2.109 -12.246 1.00 . A A . 23 LYS CA 1 1 29 34557 1 1 23 LYS CB C -3.921 0.965 -11.232 1.00 . A A . 23 LYS CB 1 1 29 34558 1 1 23 LYS CD C -4.159 -1.122 -12.647 1.00 . A A . 23 LYS CD 1 1 29 34559 1 1 23 LYS CE C -3.575 -2.529 -12.869 1.00 . A A . 23 LYS CE 1 1 29 34560 1 1 23 LYS CG C -3.214 -0.282 -11.789 1.00 . A A . 23 LYS CG 1 1 29 34561 1 1 23 LYS H H -1.918 2.036 -12.167 1.00 . A A . 23 LYS H 1 1 29 34562 1 1 23 LYS HA H -4.534 1.751 -13.143 1.00 . A A . 23 LYS HA 1 1 29 34563 1 1 23 LYS HB2 H -3.349 1.325 -10.379 1.00 . A A . 23 LYS HB2 1 1 29 34564 1 1 23 LYS HB3 H -4.914 0.699 -10.871 1.00 . A A . 23 LYS HB3 1 1 29 34565 1 1 23 LYS HD2 H -5.103 -1.185 -12.107 1.00 . A A . 23 LYS HD2 1 1 29 34566 1 1 23 LYS HD3 H -4.317 -0.607 -13.596 1.00 . A A . 23 LYS HD3 1 1 29 34567 1 1 23 LYS HE2 H -2.956 -2.562 -13.767 1.00 . A A . 23 LYS HE2 1 1 29 34568 1 1 23 LYS HE3 H -2.945 -2.793 -12.017 1.00 . A A . 23 LYS HE3 1 1 29 34569 1 1 23 LYS HG2 H -2.343 -0.026 -12.394 1.00 . A A . 23 LYS HG2 1 1 29 34570 1 1 23 LYS HG3 H -2.886 -0.861 -10.925 1.00 . A A . 23 LYS HG3 1 1 29 34571 1 1 23 LYS HZ1 H -4.995 -3.768 -13.823 1.00 . A A . 23 LYS HZ1 1 1 29 34572 1 1 23 LYS HZ2 H -4.286 -4.399 -12.423 1.00 . A A . 23 LYS HZ2 1 1 29 34573 1 1 23 LYS HZ3 H -5.374 -3.308 -12.257 1.00 . A A . 23 LYS HZ3 1 1 29 34574 1 1 23 LYS N N -2.688 2.537 -12.595 1.00 . A A . 23 LYS N 1 1 29 34575 1 1 23 LYS NZ N -4.628 -3.563 -12.910 1.00 . A A . 23 LYS NZ 1 1 29 34576 1 1 23 LYS O O -5.992 3.471 -12.066 1.00 . A A . 23 LYS O 1 1 29 34577 1 1 24 LEU C C -4.789 6.351 -10.267 1.00 . A A . 24 LEU C 1 1 29 34578 1 1 24 LEU CA C -5.056 4.909 -9.835 1.00 . A A . 24 LEU CA 1 1 29 34579 1 1 24 LEU CB C -4.708 4.750 -8.346 1.00 . A A . 24 LEU CB 1 1 29 34580 1 1 24 LEU CD1 C -4.175 3.338 -6.374 1.00 . A A . 24 LEU CD1 1 1 29 34581 1 1 24 LEU CD2 C -6.062 2.648 -7.870 1.00 . A A . 24 LEU CD2 1 1 29 34582 1 1 24 LEU CG C -4.681 3.305 -7.817 1.00 . A A . 24 LEU CG 1 1 29 34583 1 1 24 LEU H H -3.360 3.743 -10.362 1.00 . A A . 24 LEU H 1 1 29 34584 1 1 24 LEU HA H -6.126 4.721 -9.937 1.00 . A A . 24 LEU HA 1 1 29 34585 1 1 24 LEU HB2 H -3.733 5.201 -8.164 1.00 . A A . 24 LEU HB2 1 1 29 34586 1 1 24 LEU HB3 H -5.444 5.315 -7.776 1.00 . A A . 24 LEU HB3 1 1 29 34587 1 1 24 LEU HD11 H -4.087 2.327 -5.977 1.00 . A A . 24 LEU HD11 1 1 29 34588 1 1 24 LEU HD12 H -3.207 3.833 -6.332 1.00 . A A . 24 LEU HD12 1 1 29 34589 1 1 24 LEU HD13 H -4.863 3.912 -5.765 1.00 . A A . 24 LEU HD13 1 1 29 34590 1 1 24 LEU HD21 H -6.785 3.253 -7.325 1.00 . A A . 24 LEU HD21 1 1 29 34591 1 1 24 LEU HD22 H -6.382 2.542 -8.906 1.00 . A A . 24 LEU HD22 1 1 29 34592 1 1 24 LEU HD23 H -6.003 1.658 -7.417 1.00 . A A . 24 LEU HD23 1 1 29 34593 1 1 24 LEU HG H -3.994 2.690 -8.395 1.00 . A A . 24 LEU HG 1 1 29 34594 1 1 24 LEU N N -4.309 3.954 -10.648 1.00 . A A . 24 LEU N 1 1 29 34595 1 1 24 LEU O O -5.728 7.131 -10.409 1.00 . A A . 24 LEU O 1 1 29 34596 1 1 25 GLY C C -1.766 8.369 -10.056 1.00 . A A . 25 GLY C 1 1 29 34597 1 1 25 GLY CA C -3.081 8.069 -10.770 1.00 . A A . 25 GLY CA 1 1 29 34598 1 1 25 GLY H H -2.766 6.035 -10.398 1.00 . A A . 25 GLY H 1 1 29 34599 1 1 25 GLY HA2 H -2.931 8.127 -11.846 1.00 . A A . 25 GLY HA2 1 1 29 34600 1 1 25 GLY HA3 H -3.825 8.815 -10.484 1.00 . A A . 25 GLY HA3 1 1 29 34601 1 1 25 GLY N N -3.515 6.727 -10.421 1.00 . A A . 25 GLY N 1 1 29 34602 1 1 25 GLY O O -0.686 8.298 -10.640 1.00 . A A . 25 GLY O 1 1 29 34603 1 1 26 CYS C C -1.555 9.648 -6.586 1.00 . A A . 26 CYS C 1 1 29 34604 1 1 26 CYS CA C -0.842 9.135 -7.840 1.00 . A A . 26 CYS CA 1 1 29 34605 1 1 26 CYS CB C 0.009 10.252 -8.426 1.00 . A A . 26 CYS CB 1 1 29 34606 1 1 26 CYS H H -2.834 8.668 -8.416 1.00 . A A . 26 CYS H 1 1 29 34607 1 1 26 CYS HA H -0.226 8.277 -7.580 1.00 . A A . 26 CYS HA 1 1 29 34608 1 1 26 CYS HB2 H 0.147 10.181 -9.498 1.00 . A A . 26 CYS HB2 1 1 29 34609 1 1 26 CYS HB3 H -0.461 11.219 -8.237 1.00 . A A . 26 CYS HB3 1 1 29 34610 1 1 26 CYS N N -1.888 8.689 -8.767 1.00 . A A . 26 CYS N 1 1 29 34611 1 1 26 CYS O O -1.237 9.278 -5.452 1.00 . A A . 26 CYS O 1 1 29 34612 1 1 26 CYS SG S 1.658 10.268 -7.675 1.00 . A A . 26 CYS SG 1 1 29 34613 1 1 27 ASP C C -3.876 10.344 -4.823 1.00 . A A . 27 ASP C 1 1 29 34614 1 1 27 ASP CA C -3.443 11.228 -5.977 1.00 . A A . 27 ASP CA 1 1 29 34615 1 1 27 ASP CB C -4.688 11.692 -6.768 1.00 . A A . 27 ASP CB 1 1 29 34616 1 1 27 ASP CG C -4.390 12.187 -8.180 1.00 . A A . 27 ASP CG 1 1 29 34617 1 1 27 ASP H H -2.827 10.555 -7.847 1.00 . A A . 27 ASP H 1 1 29 34618 1 1 27 ASP HA H -2.903 12.102 -5.613 1.00 . A A . 27 ASP HA 1 1 29 34619 1 1 27 ASP HB2 H -5.393 10.868 -6.875 1.00 . A A . 27 ASP HB2 1 1 29 34620 1 1 27 ASP HB3 H -5.182 12.486 -6.207 1.00 . A A . 27 ASP HB3 1 1 29 34621 1 1 27 ASP N N -2.581 10.458 -6.863 1.00 . A A . 27 ASP N 1 1 29 34622 1 1 27 ASP O O -3.866 10.728 -3.657 1.00 . A A . 27 ASP O 1 1 29 34623 1 1 27 ASP OD1 O -3.888 11.344 -8.963 1.00 . A A . 27 ASP OD1 1 1 29 34624 1 1 27 ASP OD2 O -4.668 13.373 -8.452 1.00 . A A . 27 ASP OD2 1 1 29 34625 1 1 28 ALA C C -3.832 7.887 -3.096 1.00 . A A . 28 ALA C 1 1 29 34626 1 1 28 ALA CA C -4.663 8.029 -4.374 1.00 . A A . 28 ALA CA 1 1 29 34627 1 1 28 ALA CB C -4.587 6.757 -5.211 1.00 . A A . 28 ALA CB 1 1 29 34628 1 1 28 ALA H H -4.197 8.960 -6.209 1.00 . A A . 28 ALA H 1 1 29 34629 1 1 28 ALA HA H -5.701 8.219 -4.110 1.00 . A A . 28 ALA HA 1 1 29 34630 1 1 28 ALA HB1 H -4.906 5.914 -4.606 1.00 . A A . 28 ALA HB1 1 1 29 34631 1 1 28 ALA HB2 H -5.245 6.858 -6.075 1.00 . A A . 28 ALA HB2 1 1 29 34632 1 1 28 ALA HB3 H -3.564 6.595 -5.555 1.00 . A A . 28 ALA HB3 1 1 29 34633 1 1 28 ALA N N -4.243 9.124 -5.215 1.00 . A A . 28 ALA N 1 1 29 34634 1 1 28 ALA O O -4.387 7.568 -2.047 1.00 . A A . 28 ALA O 1 1 29 34635 1 1 29 CYS C C -0.915 9.306 -1.766 1.00 . A A . 29 CYS C 1 1 29 34636 1 1 29 CYS CA C -1.600 7.974 -2.062 1.00 . A A . 29 CYS CA 1 1 29 34637 1 1 29 CYS CB C -0.560 6.925 -2.334 1.00 . A A . 29 CYS CB 1 1 29 34638 1 1 29 CYS H H -2.136 8.374 -4.093 1.00 . A A . 29 CYS H 1 1 29 34639 1 1 29 CYS HA H -2.138 7.678 -1.160 1.00 . A A . 29 CYS HA 1 1 29 34640 1 1 29 CYS HB2 H 0.047 7.240 -3.183 1.00 . A A . 29 CYS HB2 1 1 29 34641 1 1 29 CYS HB3 H 0.075 6.827 -1.457 1.00 . A A . 29 CYS HB3 1 1 29 34642 1 1 29 CYS N N -2.513 8.086 -3.195 1.00 . A A . 29 CYS N 1 1 29 34643 1 1 29 CYS O O -0.728 9.649 -0.601 1.00 . A A . 29 CYS O 1 1 29 34644 1 1 29 CYS SG S -1.317 5.311 -2.674 1.00 . A A . 29 CYS SG 1 1 29 34645 1 1 30 HIS C C -0.482 12.403 -3.298 1.00 . A A . 30 HIS C 1 1 29 34646 1 1 30 HIS CA C 0.284 11.251 -2.660 1.00 . A A . 30 HIS CA 1 1 29 34647 1 1 30 HIS CB C 1.633 11.113 -3.368 1.00 . A A . 30 HIS CB 1 1 29 34648 1 1 30 HIS CD2 C 2.837 8.907 -3.614 1.00 . A A . 30 HIS CD2 1 1 29 34649 1 1 30 HIS CE1 C 4.359 9.090 -2.067 1.00 . A A . 30 HIS CE1 1 1 29 34650 1 1 30 HIS CG C 2.525 10.006 -2.873 1.00 . A A . 30 HIS CG 1 1 29 34651 1 1 30 HIS H H -0.735 9.747 -3.750 1.00 . A A . 30 HIS H 1 1 29 34652 1 1 30 HIS HA H 0.478 11.480 -1.610 1.00 . A A . 30 HIS HA 1 1 29 34653 1 1 30 HIS HB2 H 1.439 10.956 -4.431 1.00 . A A . 30 HIS HB2 1 1 29 34654 1 1 30 HIS HB3 H 2.151 12.067 -3.278 1.00 . A A . 30 HIS HB3 1 1 29 34655 1 1 30 HIS HD1 H 3.604 10.905 -1.285 1.00 . A A . 30 HIS HD1 1 1 29 34656 1 1 30 HIS HD2 H 2.354 8.607 -4.520 1.00 . A A . 30 HIS HD2 1 1 29 34657 1 1 30 HIS HE1 H 5.270 8.913 -1.520 1.00 . A A . 30 HIS HE1 1 1 29 34658 1 1 30 HIS N N -0.488 10.029 -2.805 1.00 . A A . 30 HIS N 1 1 29 34659 1 1 30 HIS ND1 N 3.497 10.120 -1.906 1.00 . A A . 30 HIS ND1 1 1 29 34660 1 1 30 HIS NE2 N 4.001 8.335 -3.112 1.00 . A A . 30 HIS NE2 1 1 29 34661 1 1 30 HIS O O -0.651 12.412 -4.515 1.00 . A A . 30 HIS O 1 1 29 34662 1 1 31 GLU C C -0.375 15.587 -3.439 1.00 . A A . 31 GLU C 1 1 29 34663 1 1 31 GLU CA C -1.479 14.616 -2.995 1.00 . A A . 31 GLU CA 1 1 29 34664 1 1 31 GLU CB C -2.398 15.223 -1.918 1.00 . A A . 31 GLU CB 1 1 29 34665 1 1 31 GLU CD C -4.480 14.973 -0.557 1.00 . A A . 31 GLU CD 1 1 29 34666 1 1 31 GLU CG C -3.508 14.268 -1.493 1.00 . A A . 31 GLU CG 1 1 29 34667 1 1 31 GLU H H -0.710 13.303 -1.503 1.00 . A A . 31 GLU H 1 1 29 34668 1 1 31 GLU HA H -2.096 14.392 -3.867 1.00 . A A . 31 GLU HA 1 1 29 34669 1 1 31 GLU HB2 H -1.836 15.488 -1.021 1.00 . A A . 31 GLU HB2 1 1 29 34670 1 1 31 GLU HB3 H -2.891 16.111 -2.322 1.00 . A A . 31 GLU HB3 1 1 29 34671 1 1 31 GLU HG2 H -4.046 13.939 -2.379 1.00 . A A . 31 GLU HG2 1 1 29 34672 1 1 31 GLU HG3 H -3.077 13.409 -0.985 1.00 . A A . 31 GLU HG3 1 1 29 34673 1 1 31 GLU N N -0.877 13.390 -2.494 1.00 . A A . 31 GLU N 1 1 29 34674 1 1 31 GLU O O 0.464 15.268 -4.281 1.00 . A A . 31 GLU O 1 1 29 34675 1 1 31 GLU OE1 O -5.300 15.757 -1.081 1.00 . A A . 31 GLU OE1 1 1 29 34676 1 1 31 GLU OE2 O -4.353 14.752 0.666 1.00 . A A . 31 GLU OE2 1 1 29 34677 1 1 32 GLY C C 1.991 17.536 -2.835 1.00 . A A . 32 GLY C 1 1 29 34678 1 1 32 GLY CA C 0.543 17.862 -3.201 1.00 . A A . 32 GLY CA 1 1 29 34679 1 1 32 GLY H H -1.075 16.963 -2.156 1.00 . A A . 32 GLY H 1 1 29 34680 1 1 32 GLY HA2 H 0.473 18.067 -4.271 1.00 . A A . 32 GLY HA2 1 1 29 34681 1 1 32 GLY HA3 H 0.236 18.758 -2.663 1.00 . A A . 32 GLY HA3 1 1 29 34682 1 1 32 GLY N N -0.369 16.786 -2.854 1.00 . A A . 32 GLY N 1 1 29 34683 1 1 32 GLY O O 2.467 17.975 -1.792 1.00 . A A . 32 GLY O 1 1 29 34684 1 1 33 THR C C 4.478 15.314 -2.936 1.00 . A A . 33 THR C 1 1 29 34685 1 1 33 THR CA C 4.114 16.568 -3.747 1.00 . A A . 33 THR CA 1 1 29 34686 1 1 33 THR CB C 4.915 17.807 -3.301 1.00 . A A . 33 THR CB 1 1 29 34687 1 1 33 THR CG2 C 6.408 17.653 -3.604 1.00 . A A . 33 THR CG2 1 1 29 34688 1 1 33 THR H H 2.109 16.363 -4.441 1.00 . A A . 33 THR H 1 1 29 34689 1 1 33 THR HA H 4.352 16.431 -4.799 1.00 . A A . 33 THR HA 1 1 29 34690 1 1 33 THR HB H 4.812 17.962 -2.225 1.00 . A A . 33 THR HB 1 1 29 34691 1 1 33 THR HG1 H 4.725 19.733 -3.533 1.00 . A A . 33 THR HG1 1 1 29 34692 1 1 33 THR HG21 H 6.822 16.805 -3.057 1.00 . A A . 33 THR HG21 1 1 29 34693 1 1 33 THR HG22 H 6.561 17.502 -4.674 1.00 . A A . 33 THR HG22 1 1 29 34694 1 1 33 THR HG23 H 6.936 18.556 -3.295 1.00 . A A . 33 THR HG23 1 1 29 34695 1 1 33 THR N N 2.671 16.803 -3.722 1.00 . A A . 33 THR N 1 1 29 34696 1 1 33 THR O O 4.409 15.341 -1.709 1.00 . A A . 33 THR O 1 1 29 34697 1 1 33 THR OG1 O 4.444 18.944 -4.003 1.00 . A A . 33 THR OG1 1 1 29 34698 1 1 34 PRO C C 6.606 13.140 -2.232 1.00 . A A . 34 PRO C 1 1 29 34699 1 1 34 PRO CA C 5.236 12.985 -2.892 1.00 . A A . 34 PRO CA 1 1 29 34700 1 1 34 PRO CB C 5.262 11.898 -3.961 1.00 . A A . 34 PRO CB 1 1 29 34701 1 1 34 PRO CD C 5.008 14.029 -5.023 1.00 . A A . 34 PRO CD 1 1 29 34702 1 1 34 PRO CG C 5.667 12.663 -5.209 1.00 . A A . 34 PRO CG 1 1 29 34703 1 1 34 PRO HA H 4.486 12.717 -2.154 1.00 . A A . 34 PRO HA 1 1 29 34704 1 1 34 PRO HB2 H 5.944 11.088 -3.710 1.00 . A A . 34 PRO HB2 1 1 29 34705 1 1 34 PRO HB3 H 4.265 11.507 -4.136 1.00 . A A . 34 PRO HB3 1 1 29 34706 1 1 34 PRO HD2 H 5.644 14.791 -5.477 1.00 . A A . 34 PRO HD2 1 1 29 34707 1 1 34 PRO HD3 H 4.019 14.032 -5.485 1.00 . A A . 34 PRO HD3 1 1 29 34708 1 1 34 PRO HG2 H 6.750 12.763 -5.229 1.00 . A A . 34 PRO HG2 1 1 29 34709 1 1 34 PRO HG3 H 5.309 12.151 -6.093 1.00 . A A . 34 PRO HG3 1 1 29 34710 1 1 34 PRO N N 4.872 14.206 -3.586 1.00 . A A . 34 PRO N 1 1 29 34711 1 1 34 PRO O O 7.598 13.393 -2.910 1.00 . A A . 34 PRO O 1 1 29 34712 1 1 35 ALA C C 7.807 11.939 0.945 1.00 . A A . 35 ALA C 1 1 29 34713 1 1 35 ALA CA C 7.894 13.012 -0.140 1.00 . A A . 35 ALA CA 1 1 29 34714 1 1 35 ALA CB C 8.069 14.428 0.406 1.00 . A A . 35 ALA CB 1 1 29 34715 1 1 35 ALA H H 5.810 12.801 -0.396 1.00 . A A . 35 ALA H 1 1 29 34716 1 1 35 ALA HA H 8.756 12.779 -0.769 1.00 . A A . 35 ALA HA 1 1 29 34717 1 1 35 ALA HB1 H 8.116 15.121 -0.436 1.00 . A A . 35 ALA HB1 1 1 29 34718 1 1 35 ALA HB2 H 7.221 14.691 1.038 1.00 . A A . 35 ALA HB2 1 1 29 34719 1 1 35 ALA HB3 H 8.992 14.493 0.981 1.00 . A A . 35 ALA HB3 1 1 29 34720 1 1 35 ALA N N 6.663 12.961 -0.912 1.00 . A A . 35 ALA N 1 1 29 34721 1 1 35 ALA O O 7.833 12.239 2.136 1.00 . A A . 35 ALA O 1 1 29 34722 1 1 36 LYS C C 6.069 9.564 2.014 1.00 . A A . 36 LYS C 1 1 29 34723 1 1 36 LYS CA C 7.343 9.464 1.174 1.00 . A A . 36 LYS CA 1 1 29 34724 1 1 36 LYS CB C 8.561 8.880 1.898 1.00 . A A . 36 LYS CB 1 1 29 34725 1 1 36 LYS CD C 9.973 8.891 3.944 1.00 . A A . 36 LYS CD 1 1 29 34726 1 1 36 LYS CE C 8.990 8.159 4.873 1.00 . A A . 36 LYS CE 1 1 29 34727 1 1 36 LYS CG C 9.177 9.773 2.980 1.00 . A A . 36 LYS CG 1 1 29 34728 1 1 36 LYS H H 7.781 10.595 -0.515 1.00 . A A . 36 LYS H 1 1 29 34729 1 1 36 LYS HA H 7.096 8.754 0.387 1.00 . A A . 36 LYS HA 1 1 29 34730 1 1 36 LYS HB2 H 8.254 7.937 2.332 1.00 . A A . 36 LYS HB2 1 1 29 34731 1 1 36 LYS HB3 H 9.338 8.645 1.171 1.00 . A A . 36 LYS HB3 1 1 29 34732 1 1 36 LYS HD2 H 10.570 8.194 3.351 1.00 . A A . 36 LYS HD2 1 1 29 34733 1 1 36 LYS HD3 H 10.649 9.513 4.537 1.00 . A A . 36 LYS HD3 1 1 29 34734 1 1 36 LYS HE2 H 8.828 8.767 5.756 1.00 . A A . 36 LYS HE2 1 1 29 34735 1 1 36 LYS HE3 H 8.014 8.060 4.403 1.00 . A A . 36 LYS HE3 1 1 29 34736 1 1 36 LYS HG2 H 9.843 10.495 2.502 1.00 . A A . 36 LYS HG2 1 1 29 34737 1 1 36 LYS HG3 H 8.408 10.312 3.536 1.00 . A A . 36 LYS HG3 1 1 29 34738 1 1 36 LYS HZ1 H 9.714 6.340 4.300 1.00 . A A . 36 LYS HZ1 1 1 29 34739 1 1 36 LYS HZ2 H 10.143 6.699 5.878 1.00 . A A . 36 LYS HZ2 1 1 29 34740 1 1 36 LYS HZ3 H 8.606 6.195 5.376 1.00 . A A . 36 LYS HZ3 1 1 29 34741 1 1 36 LYS N N 7.666 10.695 0.473 1.00 . A A . 36 LYS N 1 1 29 34742 1 1 36 LYS NZ N 9.424 6.781 5.178 1.00 . A A . 36 LYS NZ 1 1 29 34743 1 1 36 LYS O O 5.509 10.647 2.167 1.00 . A A . 36 LYS O 1 1 29 34744 1 1 37 ILE C C 4.534 8.225 4.727 1.00 . A A . 37 ILE C 1 1 29 34745 1 1 37 ILE CA C 4.290 8.434 3.243 1.00 . A A . 37 ILE CA 1 1 29 34746 1 1 37 ILE CB C 3.289 7.418 2.679 1.00 . A A . 37 ILE CB 1 1 29 34747 1 1 37 ILE CD1 C 2.079 7.007 0.438 1.00 . A A . 37 ILE CD1 1 1 29 34748 1 1 37 ILE CG1 C 3.297 7.583 1.159 1.00 . A A . 37 ILE CG1 1 1 29 34749 1 1 37 ILE CG2 C 1.895 7.630 3.292 1.00 . A A . 37 ILE CG2 1 1 29 34750 1 1 37 ILE H H 5.993 7.531 2.233 1.00 . A A . 37 ILE H 1 1 29 34751 1 1 37 ILE HA H 3.804 9.403 3.163 1.00 . A A . 37 ILE HA 1 1 29 34752 1 1 37 ILE HB H 3.625 6.413 2.916 1.00 . A A . 37 ILE HB 1 1 29 34753 1 1 37 ILE HD11 H 1.947 5.955 0.689 1.00 . A A . 37 ILE HD11 1 1 29 34754 1 1 37 ILE HD12 H 1.182 7.564 0.707 1.00 . A A . 37 ILE HD12 1 1 29 34755 1 1 37 ILE HD13 H 2.236 7.116 -0.634 1.00 . A A . 37 ILE HD13 1 1 29 34756 1 1 37 ILE HG12 H 3.353 8.641 0.915 1.00 . A A . 37 ILE HG12 1 1 29 34757 1 1 37 ILE HG13 H 4.207 7.093 0.817 1.00 . A A . 37 ILE HG13 1 1 29 34758 1 1 37 ILE HG21 H 1.941 7.548 4.378 1.00 . A A . 37 ILE HG21 1 1 29 34759 1 1 37 ILE HG22 H 1.513 8.615 3.025 1.00 . A A . 37 ILE HG22 1 1 29 34760 1 1 37 ILE HG23 H 1.205 6.867 2.935 1.00 . A A . 37 ILE HG23 1 1 29 34761 1 1 37 ILE N N 5.556 8.421 2.490 1.00 . A A . 37 ILE N 1 1 29 34762 1 1 37 ILE O O 3.945 8.912 5.556 1.00 . A A . 37 ILE O 1 1 29 34763 1 1 38 ALA C C 4.999 5.500 6.643 1.00 . A A . 38 ALA C 1 1 29 34764 1 1 38 ALA CA C 5.797 6.755 6.325 1.00 . A A . 38 ALA CA 1 1 29 34765 1 1 38 ALA CB C 5.726 7.825 7.399 1.00 . A A . 38 ALA CB 1 1 29 34766 1 1 38 ALA H H 5.755 6.769 4.211 1.00 . A A . 38 ALA H 1 1 29 34767 1 1 38 ALA HA H 6.844 6.480 6.322 1.00 . A A . 38 ALA HA 1 1 29 34768 1 1 38 ALA HB1 H 4.691 8.026 7.666 1.00 . A A . 38 ALA HB1 1 1 29 34769 1 1 38 ALA HB2 H 6.269 7.487 8.280 1.00 . A A . 38 ALA HB2 1 1 29 34770 1 1 38 ALA HB3 H 6.199 8.707 6.973 1.00 . A A . 38 ALA HB3 1 1 29 34771 1 1 38 ALA N N 5.410 7.265 5.013 1.00 . A A . 38 ALA N 1 1 29 34772 1 1 38 ALA O O 4.395 5.393 7.707 1.00 . A A . 38 ALA O 1 1 29 34773 1 1 39 ILE C C 5.037 2.435 6.932 1.00 . A A . 39 ILE C 1 1 29 34774 1 1 39 ILE CA C 4.270 3.305 5.941 1.00 . A A . 39 ILE CA 1 1 29 34775 1 1 39 ILE CB C 4.001 2.571 4.630 1.00 . A A . 39 ILE CB 1 1 29 34776 1 1 39 ILE CD1 C 1.723 3.729 4.150 1.00 . A A . 39 ILE CD1 1 1 29 34777 1 1 39 ILE CG1 C 3.154 3.427 3.693 1.00 . A A . 39 ILE CG1 1 1 29 34778 1 1 39 ILE CG2 C 3.289 1.238 4.867 1.00 . A A . 39 ILE CG2 1 1 29 34779 1 1 39 ILE H H 5.558 4.650 4.870 1.00 . A A . 39 ILE H 1 1 29 34780 1 1 39 ILE HA H 3.301 3.541 6.377 1.00 . A A . 39 ILE HA 1 1 29 34781 1 1 39 ILE HB H 4.954 2.367 4.136 1.00 . A A . 39 ILE HB 1 1 29 34782 1 1 39 ILE HD11 H 1.221 4.300 3.369 1.00 . A A . 39 ILE HD11 1 1 29 34783 1 1 39 ILE HD12 H 1.171 2.804 4.307 1.00 . A A . 39 ILE HD12 1 1 29 34784 1 1 39 ILE HD13 H 1.715 4.321 5.064 1.00 . A A . 39 ILE HD13 1 1 29 34785 1 1 39 ILE HG12 H 3.674 4.359 3.505 1.00 . A A . 39 ILE HG12 1 1 29 34786 1 1 39 ILE HG13 H 3.104 2.865 2.772 1.00 . A A . 39 ILE HG13 1 1 29 34787 1 1 39 ILE HG21 H 3.969 0.550 5.355 1.00 . A A . 39 ILE HG21 1 1 29 34788 1 1 39 ILE HG22 H 2.412 1.370 5.499 1.00 . A A . 39 ILE HG22 1 1 29 34789 1 1 39 ILE HG23 H 2.991 0.820 3.905 1.00 . A A . 39 ILE HG23 1 1 29 34790 1 1 39 ILE N N 4.983 4.546 5.709 1.00 . A A . 39 ILE N 1 1 29 34791 1 1 39 ILE O O 6.109 1.921 6.627 1.00 . A A . 39 ILE O 1 1 29 34792 1 1 40 ASP C C 3.446 0.348 9.198 1.00 . A A . 40 ASP C 1 1 29 34793 1 1 40 ASP CA C 4.720 1.166 9.023 1.00 . A A . 40 ASP CA 1 1 29 34794 1 1 40 ASP CB C 5.184 1.706 10.384 1.00 . A A . 40 ASP CB 1 1 29 34795 1 1 40 ASP CG C 4.016 2.053 11.297 1.00 . A A . 40 ASP CG 1 1 29 34796 1 1 40 ASP H H 3.549 2.723 8.231 1.00 . A A . 40 ASP H 1 1 29 34797 1 1 40 ASP HA H 5.504 0.527 8.615 1.00 . A A . 40 ASP HA 1 1 29 34798 1 1 40 ASP HB2 H 5.789 0.944 10.874 1.00 . A A . 40 ASP HB2 1 1 29 34799 1 1 40 ASP HB3 H 5.810 2.575 10.237 1.00 . A A . 40 ASP HB3 1 1 29 34800 1 1 40 ASP N N 4.427 2.245 8.098 1.00 . A A . 40 ASP N 1 1 29 34801 1 1 40 ASP O O 2.415 0.636 8.596 1.00 . A A . 40 ASP O 1 1 29 34802 1 1 40 ASP OD1 O 3.098 2.770 10.848 1.00 . A A . 40 ASP OD1 1 1 29 34803 1 1 40 ASP OD2 O 3.977 1.457 12.401 1.00 . A A . 40 ASP OD2 1 1 29 34804 1 1 41 LYS C C 1.217 -0.549 10.974 1.00 . A A . 41 LYS C 1 1 29 34805 1 1 41 LYS CA C 2.409 -1.417 10.569 1.00 . A A . 41 LYS CA 1 1 29 34806 1 1 41 LYS CB C 2.865 -2.356 11.702 1.00 . A A . 41 LYS CB 1 1 29 34807 1 1 41 LYS CD C 2.927 -1.400 14.102 1.00 . A A . 41 LYS CD 1 1 29 34808 1 1 41 LYS CE C 3.798 -0.729 15.177 1.00 . A A . 41 LYS CE 1 1 29 34809 1 1 41 LYS CG C 3.730 -1.813 12.857 1.00 . A A . 41 LYS CG 1 1 29 34810 1 1 41 LYS H H 4.420 -0.724 10.552 1.00 . A A . 41 LYS H 1 1 29 34811 1 1 41 LYS HA H 2.085 -2.033 9.731 1.00 . A A . 41 LYS HA 1 1 29 34812 1 1 41 LYS HB2 H 1.995 -2.849 12.113 1.00 . A A . 41 LYS HB2 1 1 29 34813 1 1 41 LYS HB3 H 3.472 -3.102 11.208 1.00 . A A . 41 LYS HB3 1 1 29 34814 1 1 41 LYS HD2 H 2.122 -0.718 13.841 1.00 . A A . 41 LYS HD2 1 1 29 34815 1 1 41 LYS HD3 H 2.462 -2.290 14.532 1.00 . A A . 41 LYS HD3 1 1 29 34816 1 1 41 LYS HE2 H 3.135 -0.326 15.945 1.00 . A A . 41 LYS HE2 1 1 29 34817 1 1 41 LYS HE3 H 4.446 -1.475 15.642 1.00 . A A . 41 LYS HE3 1 1 29 34818 1 1 41 LYS HG2 H 4.395 -2.623 13.166 1.00 . A A . 41 LYS HG2 1 1 29 34819 1 1 41 LYS HG3 H 4.356 -1.003 12.500 1.00 . A A . 41 LYS HG3 1 1 29 34820 1 1 41 LYS HZ1 H 4.987 0.965 15.368 1.00 . A A . 41 LYS HZ1 1 1 29 34821 1 1 41 LYS HZ2 H 5.414 -0.005 14.117 1.00 . A A . 41 LYS HZ2 1 1 29 34822 1 1 41 LYS HZ3 H 4.118 0.935 13.960 1.00 . A A . 41 LYS HZ3 1 1 29 34823 1 1 41 LYS N N 3.530 -0.630 10.097 1.00 . A A . 41 LYS N 1 1 29 34824 1 1 41 LYS NZ N 4.634 0.368 14.636 1.00 . A A . 41 LYS NZ 1 1 29 34825 1 1 41 LYS O O 0.084 -0.799 10.563 1.00 . A A . 41 LYS O 1 1 29 34826 1 1 42 LYS C C -0.296 1.977 11.163 1.00 . A A . 42 LYS C 1 1 29 34827 1 1 42 LYS CA C 0.461 1.345 12.331 1.00 . A A . 42 LYS CA 1 1 29 34828 1 1 42 LYS CB C 1.114 2.375 13.269 1.00 . A A . 42 LYS CB 1 1 29 34829 1 1 42 LYS CD C 0.907 3.835 15.277 1.00 . A A . 42 LYS CD 1 1 29 34830 1 1 42 LYS CE C 0.081 4.187 16.523 1.00 . A A . 42 LYS CE 1 1 29 34831 1 1 42 LYS CG C 0.170 2.829 14.380 1.00 . A A . 42 LYS CG 1 1 29 34832 1 1 42 LYS H H 2.437 0.621 12.081 1.00 . A A . 42 LYS H 1 1 29 34833 1 1 42 LYS HA H -0.238 0.737 12.907 1.00 . A A . 42 LYS HA 1 1 29 34834 1 1 42 LYS HB2 H 1.964 1.909 13.764 1.00 . A A . 42 LYS HB2 1 1 29 34835 1 1 42 LYS HB3 H 1.466 3.240 12.708 1.00 . A A . 42 LYS HB3 1 1 29 34836 1 1 42 LYS HD2 H 1.859 3.396 15.583 1.00 . A A . 42 LYS HD2 1 1 29 34837 1 1 42 LYS HD3 H 1.113 4.733 14.689 1.00 . A A . 42 LYS HD3 1 1 29 34838 1 1 42 LYS HE2 H -0.864 4.639 16.212 1.00 . A A . 42 LYS HE2 1 1 29 34839 1 1 42 LYS HE3 H -0.139 3.272 17.077 1.00 . A A . 42 LYS HE3 1 1 29 34840 1 1 42 LYS HG2 H -0.720 3.278 13.937 1.00 . A A . 42 LYS HG2 1 1 29 34841 1 1 42 LYS HG3 H -0.112 1.943 14.949 1.00 . A A . 42 LYS HG3 1 1 29 34842 1 1 42 LYS HZ1 H 0.994 5.989 16.931 1.00 . A A . 42 LYS HZ1 1 1 29 34843 1 1 42 LYS HZ2 H 0.231 5.327 18.227 1.00 . A A . 42 LYS HZ2 1 1 29 34844 1 1 42 LYS HZ3 H 1.670 4.717 17.726 1.00 . A A . 42 LYS HZ3 1 1 29 34845 1 1 42 LYS N N 1.472 0.448 11.815 1.00 . A A . 42 LYS N 1 1 29 34846 1 1 42 LYS NZ N 0.798 5.124 17.415 1.00 . A A . 42 LYS NZ 1 1 29 34847 1 1 42 LYS O O -1.498 1.767 11.044 1.00 . A A . 42 LYS O 1 1 29 34848 1 1 43 SER C C -0.937 2.288 8.245 1.00 . A A . 43 SER C 1 1 29 34849 1 1 43 SER CA C -0.269 3.337 9.143 1.00 . A A . 43 SER CA 1 1 29 34850 1 1 43 SER CB C 0.740 4.188 8.370 1.00 . A A . 43 SER CB 1 1 29 34851 1 1 43 SER H H 1.399 2.844 10.420 1.00 . A A . 43 SER H 1 1 29 34852 1 1 43 SER HA H -1.050 4.002 9.516 1.00 . A A . 43 SER HA 1 1 29 34853 1 1 43 SER HB2 H 1.579 3.569 8.055 1.00 . A A . 43 SER HB2 1 1 29 34854 1 1 43 SER HB3 H 0.264 4.615 7.487 1.00 . A A . 43 SER HB3 1 1 29 34855 1 1 43 SER HG H 0.494 5.816 9.425 1.00 . A A . 43 SER HG 1 1 29 34856 1 1 43 SER N N 0.387 2.716 10.287 1.00 . A A . 43 SER N 1 1 29 34857 1 1 43 SER O O -2.149 2.356 8.021 1.00 . A A . 43 SER O 1 1 29 34858 1 1 43 SER OG O 1.216 5.224 9.204 1.00 . A A . 43 SER OG 1 1 29 34859 1 1 44 ALA C C -1.909 -0.291 7.151 1.00 . A A . 44 ALA C 1 1 29 34860 1 1 44 ALA CA C -0.523 0.252 6.847 1.00 . A A . 44 ALA CA 1 1 29 34861 1 1 44 ALA CB C 0.496 -0.886 6.919 1.00 . A A . 44 ALA CB 1 1 29 34862 1 1 44 ALA H H 0.833 1.347 8.027 1.00 . A A . 44 ALA H 1 1 29 34863 1 1 44 ALA HA H -0.504 0.619 5.823 1.00 . A A . 44 ALA HA 1 1 29 34864 1 1 44 ALA HB1 H 0.173 -1.686 6.253 1.00 . A A . 44 ALA HB1 1 1 29 34865 1 1 44 ALA HB2 H 1.474 -0.529 6.600 1.00 . A A . 44 ALA HB2 1 1 29 34866 1 1 44 ALA HB3 H 0.572 -1.280 7.931 1.00 . A A . 44 ALA HB3 1 1 29 34867 1 1 44 ALA N N -0.140 1.334 7.748 1.00 . A A . 44 ALA N 1 1 29 34868 1 1 44 ALA O O -2.786 -0.252 6.283 1.00 . A A . 44 ALA O 1 1 29 34869 1 1 45 HIS C C -4.368 -0.550 9.321 1.00 . A A . 45 HIS C 1 1 29 34870 1 1 45 HIS CA C -3.323 -1.500 8.726 1.00 . A A . 45 HIS CA 1 1 29 34871 1 1 45 HIS CB C -3.071 -2.707 9.639 1.00 . A A . 45 HIS CB 1 1 29 34872 1 1 45 HIS CD2 C -1.447 -4.360 8.440 1.00 . A A . 45 HIS CD2 1 1 29 34873 1 1 45 HIS CE1 C 0.275 -4.117 9.766 1.00 . A A . 45 HIS CE1 1 1 29 34874 1 1 45 HIS CG C -1.772 -3.443 9.413 1.00 . A A . 45 HIS CG 1 1 29 34875 1 1 45 HIS H H -1.327 -0.789 9.041 1.00 . A A . 45 HIS H 1 1 29 34876 1 1 45 HIS HA H -3.741 -1.908 7.814 1.00 . A A . 45 HIS HA 1 1 29 34877 1 1 45 HIS HB2 H -3.062 -2.351 10.670 1.00 . A A . 45 HIS HB2 1 1 29 34878 1 1 45 HIS HB3 H -3.902 -3.407 9.539 1.00 . A A . 45 HIS HB3 1 1 29 34879 1 1 45 HIS HD1 H -0.566 -2.591 10.935 1.00 . A A . 45 HIS HD1 1 1 29 34880 1 1 45 HIS HD2 H -2.085 -4.699 7.640 1.00 . A A . 45 HIS HD2 1 1 29 34881 1 1 45 HIS HE1 H 1.249 -4.201 10.209 1.00 . A A . 45 HIS HE1 1 1 29 34882 1 1 45 HIS N N -2.090 -0.817 8.367 1.00 . A A . 45 HIS N 1 1 29 34883 1 1 45 HIS ND1 N -0.681 -3.305 10.226 1.00 . A A . 45 HIS ND1 1 1 29 34884 1 1 45 HIS NE2 N -0.126 -4.779 8.676 1.00 . A A . 45 HIS NE2 1 1 29 34885 1 1 45 HIS O O -5.506 -0.971 9.518 1.00 . A A . 45 HIS O 1 1 29 34886 1 1 46 LYS C C -5.709 2.241 8.903 1.00 . A A . 46 LYS C 1 1 29 34887 1 1 46 LYS CA C -4.948 1.697 10.104 1.00 . A A . 46 LYS CA 1 1 29 34888 1 1 46 LYS CB C -4.226 2.766 10.937 1.00 . A A . 46 LYS CB 1 1 29 34889 1 1 46 LYS CD C -4.705 5.201 10.771 1.00 . A A . 46 LYS CD 1 1 29 34890 1 1 46 LYS CE C -5.519 6.435 11.184 1.00 . A A . 46 LYS CE 1 1 29 34891 1 1 46 LYS CG C -5.142 3.894 11.439 1.00 . A A . 46 LYS CG 1 1 29 34892 1 1 46 LYS H H -3.068 1.027 9.382 1.00 . A A . 46 LYS H 1 1 29 34893 1 1 46 LYS HA H -5.673 1.245 10.774 1.00 . A A . 46 LYS HA 1 1 29 34894 1 1 46 LYS HB2 H -3.809 2.270 11.813 1.00 . A A . 46 LYS HB2 1 1 29 34895 1 1 46 LYS HB3 H -3.405 3.182 10.353 1.00 . A A . 46 LYS HB3 1 1 29 34896 1 1 46 LYS HD2 H -3.657 5.381 11.018 1.00 . A A . 46 LYS HD2 1 1 29 34897 1 1 46 LYS HD3 H -4.772 5.063 9.695 1.00 . A A . 46 LYS HD3 1 1 29 34898 1 1 46 LYS HE2 H -5.356 6.642 12.244 1.00 . A A . 46 LYS HE2 1 1 29 34899 1 1 46 LYS HE3 H -5.151 7.288 10.610 1.00 . A A . 46 LYS HE3 1 1 29 34900 1 1 46 LYS HG2 H -6.183 3.659 11.208 1.00 . A A . 46 LYS HG2 1 1 29 34901 1 1 46 LYS HG3 H -5.030 3.985 12.521 1.00 . A A . 46 LYS HG3 1 1 29 34902 1 1 46 LYS HZ1 H -7.455 7.151 11.040 1.00 . A A . 46 LYS HZ1 1 1 29 34903 1 1 46 LYS HZ2 H -7.158 5.931 9.985 1.00 . A A . 46 LYS HZ2 1 1 29 34904 1 1 46 LYS HZ3 H -7.373 5.589 11.542 1.00 . A A . 46 LYS HZ3 1 1 29 34905 1 1 46 LYS N N -4.001 0.703 9.618 1.00 . A A . 46 LYS N 1 1 29 34906 1 1 46 LYS NZ N -6.966 6.276 10.928 1.00 . A A . 46 LYS NZ 1 1 29 34907 1 1 46 LYS O O -6.868 1.884 8.708 1.00 . A A . 46 LYS O 1 1 29 34908 1 1 47 ASP C C -4.542 4.082 5.967 1.00 . A A . 47 ASP C 1 1 29 34909 1 1 47 ASP CA C -5.654 3.703 6.931 1.00 . A A . 47 ASP CA 1 1 29 34910 1 1 47 ASP CB C -6.533 4.914 7.275 1.00 . A A . 47 ASP CB 1 1 29 34911 1 1 47 ASP CG C -7.881 4.536 7.871 1.00 . A A . 47 ASP CG 1 1 29 34912 1 1 47 ASP H H -4.061 3.213 8.230 1.00 . A A . 47 ASP H 1 1 29 34913 1 1 47 ASP HA H -6.272 2.967 6.428 1.00 . A A . 47 ASP HA 1 1 29 34914 1 1 47 ASP HB2 H -5.998 5.608 7.918 1.00 . A A . 47 ASP HB2 1 1 29 34915 1 1 47 ASP HB3 H -6.740 5.436 6.344 1.00 . A A . 47 ASP HB3 1 1 29 34916 1 1 47 ASP N N -5.058 3.085 8.100 1.00 . A A . 47 ASP N 1 1 29 34917 1 1 47 ASP O O -4.233 5.255 5.774 1.00 . A A . 47 ASP O 1 1 29 34918 1 1 47 ASP OD1 O -8.671 3.859 7.169 1.00 . A A . 47 ASP OD1 1 1 29 34919 1 1 47 ASP OD2 O -8.090 4.968 9.029 1.00 . A A . 47 ASP OD2 1 1 29 34920 1 1 48 ALA C C -3.479 2.080 3.226 1.00 . A A . 48 ALA C 1 1 29 34921 1 1 48 ALA CA C -3.139 3.227 4.170 1.00 . A A . 48 ALA CA 1 1 29 34922 1 1 48 ALA CB C -1.658 3.311 4.554 1.00 . A A . 48 ALA CB 1 1 29 34923 1 1 48 ALA H H -4.210 2.123 5.629 1.00 . A A . 48 ALA H 1 1 29 34924 1 1 48 ALA HA H -3.408 4.153 3.660 1.00 . A A . 48 ALA HA 1 1 29 34925 1 1 48 ALA HB1 H -1.468 4.263 5.049 1.00 . A A . 48 ALA HB1 1 1 29 34926 1 1 48 ALA HB2 H -1.380 2.513 5.241 1.00 . A A . 48 ALA HB2 1 1 29 34927 1 1 48 ALA HB3 H -1.050 3.253 3.651 1.00 . A A . 48 ALA HB3 1 1 29 34928 1 1 48 ALA N N -3.954 3.061 5.352 1.00 . A A . 48 ALA N 1 1 29 34929 1 1 48 ALA O O -4.374 2.197 2.393 1.00 . A A . 48 ALA O 1 1 29 34930 1 1 49 CYS C C -4.298 -0.916 2.961 1.00 . A A . 49 CYS C 1 1 29 34931 1 1 49 CYS CA C -3.007 -0.207 2.538 1.00 . A A . 49 CYS CA 1 1 29 34932 1 1 49 CYS CB C -1.801 -1.115 2.599 1.00 . A A . 49 CYS CB 1 1 29 34933 1 1 49 CYS H H -2.124 0.873 4.123 1.00 . A A . 49 CYS H 1 1 29 34934 1 1 49 CYS HA H -3.127 0.133 1.511 1.00 . A A . 49 CYS HA 1 1 29 34935 1 1 49 CYS HB2 H -1.854 -1.671 3.524 1.00 . A A . 49 CYS HB2 1 1 29 34936 1 1 49 CYS HB3 H -1.830 -1.824 1.773 1.00 . A A . 49 CYS HB3 1 1 29 34937 1 1 49 CYS N N -2.805 0.946 3.388 1.00 . A A . 49 CYS N 1 1 29 34938 1 1 49 CYS O O -5.223 -1.087 2.164 1.00 . A A . 49 CYS O 1 1 29 34939 1 1 49 CYS SG S -0.182 -0.271 2.635 1.00 . A A . 49 CYS SG 1 1 29 34940 1 1 50 LYS C C -6.756 -1.381 5.006 1.00 . A A . 50 LYS C 1 1 29 34941 1 1 50 LYS CA C -5.500 -2.201 4.666 1.00 . A A . 50 LYS CA 1 1 29 34942 1 1 50 LYS CB C -5.011 -3.130 5.798 1.00 . A A . 50 LYS CB 1 1 29 34943 1 1 50 LYS CD C -6.216 -5.172 6.775 1.00 . A A . 50 LYS CD 1 1 29 34944 1 1 50 LYS CE C -7.523 -4.392 6.974 1.00 . A A . 50 LYS CE 1 1 29 34945 1 1 50 LYS CG C -5.397 -4.609 5.609 1.00 . A A . 50 LYS CG 1 1 29 34946 1 1 50 LYS H H -3.692 -1.078 4.900 1.00 . A A . 50 LYS H 1 1 29 34947 1 1 50 LYS HA H -5.771 -2.827 3.816 1.00 . A A . 50 LYS HA 1 1 29 34948 1 1 50 LYS HB2 H -3.920 -3.098 5.833 1.00 . A A . 50 LYS HB2 1 1 29 34949 1 1 50 LYS HB3 H -5.372 -2.767 6.757 1.00 . A A . 50 LYS HB3 1 1 29 34950 1 1 50 LYS HD2 H -6.434 -6.210 6.527 1.00 . A A . 50 LYS HD2 1 1 29 34951 1 1 50 LYS HD3 H -5.614 -5.151 7.687 1.00 . A A . 50 LYS HD3 1 1 29 34952 1 1 50 LYS HE2 H -7.332 -3.506 7.581 1.00 . A A . 50 LYS HE2 1 1 29 34953 1 1 50 LYS HE3 H -7.916 -4.088 6.003 1.00 . A A . 50 LYS HE3 1 1 29 34954 1 1 50 LYS HG2 H -5.954 -4.769 4.686 1.00 . A A . 50 LYS HG2 1 1 29 34955 1 1 50 LYS HG3 H -4.478 -5.195 5.538 1.00 . A A . 50 LYS HG3 1 1 29 34956 1 1 50 LYS HZ1 H -9.384 -4.644 7.783 1.00 . A A . 50 LYS HZ1 1 1 29 34957 1 1 50 LYS HZ2 H -8.794 -5.983 7.030 1.00 . A A . 50 LYS HZ2 1 1 29 34958 1 1 50 LYS HZ3 H -8.214 -5.543 8.524 1.00 . A A . 50 LYS HZ3 1 1 29 34959 1 1 50 LYS N N -4.408 -1.336 4.226 1.00 . A A . 50 LYS N 1 1 29 34960 1 1 50 LYS NZ N -8.556 -5.202 7.638 1.00 . A A . 50 LYS NZ 1 1 29 34961 1 1 50 LYS O O -7.409 -1.584 6.027 1.00 . A A . 50 LYS O 1 1 29 34962 1 1 51 THR C C -8.884 0.386 2.688 1.00 . A A . 51 THR C 1 1 29 34963 1 1 51 THR CA C -8.399 0.230 4.131 1.00 . A A . 51 THR CA 1 1 29 34964 1 1 51 THR CB C -8.292 1.525 4.962 1.00 . A A . 51 THR CB 1 1 29 34965 1 1 51 THR CG2 C -7.805 2.728 4.143 1.00 . A A . 51 THR CG2 1 1 29 34966 1 1 51 THR H H -6.601 -0.436 3.246 1.00 . A A . 51 THR H 1 1 29 34967 1 1 51 THR HA H -9.115 -0.422 4.625 1.00 . A A . 51 THR HA 1 1 29 34968 1 1 51 THR HB H -7.585 1.340 5.771 1.00 . A A . 51 THR HB 1 1 29 34969 1 1 51 THR HG1 H -9.322 2.604 6.194 1.00 . A A . 51 THR HG1 1 1 29 34970 1 1 51 THR HG21 H -6.824 2.518 3.716 1.00 . A A . 51 THR HG21 1 1 29 34971 1 1 51 THR HG22 H -8.510 2.968 3.348 1.00 . A A . 51 THR HG22 1 1 29 34972 1 1 51 THR HG23 H -7.724 3.607 4.782 1.00 . A A . 51 THR HG23 1 1 29 34973 1 1 51 THR N N -7.137 -0.481 4.100 1.00 . A A . 51 THR N 1 1 29 34974 1 1 51 THR O O -10.036 0.088 2.408 1.00 . A A . 51 THR O 1 1 29 34975 1 1 51 THR OG1 O -9.520 1.845 5.601 1.00 . A A . 51 THR OG1 1 1 29 34976 1 1 52 CYS C C -8.922 -0.637 -0.080 1.00 . A A . 52 CYS C 1 1 29 34977 1 1 52 CYS CA C -8.367 0.725 0.334 1.00 . A A . 52 CYS CA 1 1 29 34978 1 1 52 CYS CB C -7.182 1.070 -0.524 1.00 . A A . 52 CYS CB 1 1 29 34979 1 1 52 CYS H H -7.069 1.034 1.991 1.00 . A A . 52 CYS H 1 1 29 34980 1 1 52 CYS HA H -9.162 1.455 0.169 1.00 . A A . 52 CYS HA 1 1 29 34981 1 1 52 CYS HB2 H -6.247 1.002 0.035 1.00 . A A . 52 CYS HB2 1 1 29 34982 1 1 52 CYS HB3 H -7.134 0.356 -1.346 1.00 . A A . 52 CYS HB3 1 1 29 34983 1 1 52 CYS N N -8.007 0.748 1.746 1.00 . A A . 52 CYS N 1 1 29 34984 1 1 52 CYS O O -10.016 -0.713 -0.638 1.00 . A A . 52 CYS O 1 1 29 34985 1 1 52 CYS SG S -7.369 2.729 -1.236 1.00 . A A . 52 CYS SG 1 1 29 34986 1 1 53 HIS C C -9.668 -3.686 0.515 1.00 . A A . 53 HIS C 1 1 29 34987 1 1 53 HIS CA C -8.542 -3.045 -0.320 1.00 . A A . 53 HIS CA 1 1 29 34988 1 1 53 HIS CB C -7.321 -3.981 -0.443 1.00 . A A . 53 HIS CB 1 1 29 34989 1 1 53 HIS CD2 C -5.423 -3.202 -2.034 1.00 . A A . 53 HIS CD2 1 1 29 34990 1 1 53 HIS CE1 C -4.117 -2.275 -0.562 1.00 . A A . 53 HIS CE1 1 1 29 34991 1 1 53 HIS CG C -6.008 -3.334 -0.800 1.00 . A A . 53 HIS CG 1 1 29 34992 1 1 53 HIS H H -7.286 -1.586 0.630 1.00 . A A . 53 HIS H 1 1 29 34993 1 1 53 HIS HA H -8.924 -2.891 -1.327 1.00 . A A . 53 HIS HA 1 1 29 34994 1 1 53 HIS HB2 H -7.172 -4.498 0.505 1.00 . A A . 53 HIS HB2 1 1 29 34995 1 1 53 HIS HB3 H -7.559 -4.750 -1.179 1.00 . A A . 53 HIS HB3 1 1 29 34996 1 1 53 HIS HD1 H -5.359 -2.486 1.073 1.00 . A A . 53 HIS HD1 1 1 29 34997 1 1 53 HIS HD2 H -5.791 -3.534 -2.990 1.00 . A A . 53 HIS HD2 1 1 29 34998 1 1 53 HIS HE1 H -3.328 -1.703 -0.123 1.00 . A A . 53 HIS HE1 1 1 29 34999 1 1 53 HIS N N -8.182 -1.720 0.188 1.00 . A A . 53 HIS N 1 1 29 35000 1 1 53 HIS ND1 N -5.167 -2.753 0.113 1.00 . A A . 53 HIS ND1 1 1 29 35001 1 1 53 HIS NE2 N -4.222 -2.506 -1.871 1.00 . A A . 53 HIS NE2 1 1 29 35002 1 1 53 HIS O O -9.570 -4.849 0.901 1.00 . A A . 53 HIS O 1 1 29 35003 1 1 54 LYS C C -12.825 -3.971 0.306 1.00 . A A . 54 LYS C 1 1 29 35004 1 1 54 LYS CA C -11.951 -3.396 1.424 1.00 . A A . 54 LYS CA 1 1 29 35005 1 1 54 LYS CB C -12.649 -2.234 2.150 1.00 . A A . 54 LYS CB 1 1 29 35006 1 1 54 LYS CD C -12.592 -0.603 4.034 1.00 . A A . 54 LYS CD 1 1 29 35007 1 1 54 LYS CE C -12.628 -0.374 5.553 1.00 . A A . 54 LYS CE 1 1 29 35008 1 1 54 LYS CG C -12.087 -1.977 3.560 1.00 . A A . 54 LYS CG 1 1 29 35009 1 1 54 LYS H H -10.726 -1.980 0.438 1.00 . A A . 54 LYS H 1 1 29 35010 1 1 54 LYS HA H -11.749 -4.172 2.161 1.00 . A A . 54 LYS HA 1 1 29 35011 1 1 54 LYS HB2 H -12.555 -1.329 1.548 1.00 . A A . 54 LYS HB2 1 1 29 35012 1 1 54 LYS HB3 H -13.709 -2.471 2.255 1.00 . A A . 54 LYS HB3 1 1 29 35013 1 1 54 LYS HD2 H -11.989 0.175 3.567 1.00 . A A . 54 LYS HD2 1 1 29 35014 1 1 54 LYS HD3 H -13.612 -0.499 3.664 1.00 . A A . 54 LYS HD3 1 1 29 35015 1 1 54 LYS HE2 H -13.253 0.503 5.741 1.00 . A A . 54 LYS HE2 1 1 29 35016 1 1 54 LYS HE3 H -13.100 -1.231 6.036 1.00 . A A . 54 LYS HE3 1 1 29 35017 1 1 54 LYS HG2 H -12.442 -2.773 4.215 1.00 . A A . 54 LYS HG2 1 1 29 35018 1 1 54 LYS HG3 H -10.997 -1.995 3.530 1.00 . A A . 54 LYS HG3 1 1 29 35019 1 1 54 LYS HZ1 H -11.390 0.054 7.135 1.00 . A A . 54 LYS HZ1 1 1 29 35020 1 1 54 LYS HZ2 H -10.687 -0.905 6.007 1.00 . A A . 54 LYS HZ2 1 1 29 35021 1 1 54 LYS HZ3 H -10.838 0.710 5.745 1.00 . A A . 54 LYS HZ3 1 1 29 35022 1 1 54 LYS N N -10.721 -2.919 0.816 1.00 . A A . 54 LYS N 1 1 29 35023 1 1 54 LYS NZ N -11.296 -0.114 6.144 1.00 . A A . 54 LYS NZ 1 1 29 35024 1 1 54 LYS O O -12.930 -5.181 0.138 1.00 . A A . 54 LYS O 1 1 29 35025 1 1 55 SER C C -13.716 -3.817 -2.816 1.00 . A A . 55 SER C 1 1 29 35026 1 1 55 SER CA C -14.419 -3.488 -1.498 1.00 . A A . 55 SER CA 1 1 29 35027 1 1 55 SER CB C -15.458 -2.377 -1.675 1.00 . A A . 55 SER CB 1 1 29 35028 1 1 55 SER H H -13.249 -2.110 -0.368 1.00 . A A . 55 SER H 1 1 29 35029 1 1 55 SER HA H -14.952 -4.384 -1.173 1.00 . A A . 55 SER HA 1 1 29 35030 1 1 55 SER HB2 H -14.977 -1.474 -2.054 1.00 . A A . 55 SER HB2 1 1 29 35031 1 1 55 SER HB3 H -16.212 -2.695 -2.398 1.00 . A A . 55 SER HB3 1 1 29 35032 1 1 55 SER HG H -15.420 -2.057 0.253 1.00 . A A . 55 SER HG 1 1 29 35033 1 1 55 SER N N -13.455 -3.091 -0.479 1.00 . A A . 55 SER N 1 1 29 35034 1 1 55 SER O O -14.067 -3.263 -3.856 1.00 . A A . 55 SER O 1 1 29 35035 1 1 55 SER OG O -16.087 -2.106 -0.435 1.00 . A A . 55 SER OG 1 1 29 35036 1 1 56 ASN C C -11.330 -6.528 -3.534 1.00 . A A . 56 ASN C 1 1 29 35037 1 1 56 ASN CA C -12.077 -5.268 -3.956 1.00 . A A . 56 ASN CA 1 1 29 35038 1 1 56 ASN CB C -11.154 -4.240 -4.648 1.00 . A A . 56 ASN CB 1 1 29 35039 1 1 56 ASN CG C -9.880 -3.872 -3.882 1.00 . A A . 56 ASN CG 1 1 29 35040 1 1 56 ASN H H -12.515 -5.182 -1.896 1.00 . A A . 56 ASN H 1 1 29 35041 1 1 56 ASN HA H -12.850 -5.561 -4.667 1.00 . A A . 56 ASN HA 1 1 29 35042 1 1 56 ASN HB2 H -10.844 -4.651 -5.609 1.00 . A A . 56 ASN HB2 1 1 29 35043 1 1 56 ASN HB3 H -11.718 -3.330 -4.850 1.00 . A A . 56 ASN HB3 1 1 29 35044 1 1 56 ASN HD21 H -9.661 -2.153 -4.949 1.00 . A A . 56 ASN HD21 1 1 29 35045 1 1 56 ASN HD22 H -8.430 -2.475 -3.743 1.00 . A A . 56 ASN HD22 1 1 29 35046 1 1 56 ASN N N -12.735 -4.720 -2.778 1.00 . A A . 56 ASN N 1 1 29 35047 1 1 56 ASN ND2 N -9.275 -2.739 -4.226 1.00 . A A . 56 ASN ND2 1 1 29 35048 1 1 56 ASN O O -11.296 -6.840 -2.344 1.00 . A A . 56 ASN O 1 1 29 35049 1 1 56 ASN OD1 O -9.417 -4.587 -3.002 1.00 . A A . 56 ASN OD1 1 1 29 35050 1 1 57 ASN C C -10.732 -9.504 -3.579 1.00 . A A . 57 ASN C 1 1 29 35051 1 1 57 ASN CA C -9.893 -8.395 -4.235 1.00 . A A . 57 ASN CA 1 1 29 35052 1 1 57 ASN CB C -8.683 -7.953 -3.385 1.00 . A A . 57 ASN CB 1 1 29 35053 1 1 57 ASN CG C -7.454 -8.842 -3.537 1.00 . A A . 57 ASN CG 1 1 29 35054 1 1 57 ASN H H -10.828 -6.930 -5.458 1.00 . A A . 57 ASN H 1 1 29 35055 1 1 57 ASN HA H -9.533 -8.758 -5.199 1.00 . A A . 57 ASN HA 1 1 29 35056 1 1 57 ASN HB2 H -8.386 -6.955 -3.707 1.00 . A A . 57 ASN HB2 1 1 29 35057 1 1 57 ASN HB3 H -8.955 -7.908 -2.329 1.00 . A A . 57 ASN HB3 1 1 29 35058 1 1 57 ASN HD21 H -6.223 -7.335 -2.940 1.00 . A A . 57 ASN HD21 1 1 29 35059 1 1 57 ASN HD22 H -5.419 -8.790 -3.456 1.00 . A A . 57 ASN HD22 1 1 29 35060 1 1 57 ASN N N -10.723 -7.225 -4.501 1.00 . A A . 57 ASN N 1 1 29 35061 1 1 57 ASN ND2 N -6.292 -8.302 -3.205 1.00 . A A . 57 ASN ND2 1 1 29 35062 1 1 57 ASN O O -11.960 -9.434 -3.573 1.00 . A A . 57 ASN O 1 1 29 35063 1 1 57 ASN OD1 O -7.556 -9.997 -3.945 1.00 . A A . 57 ASN OD1 1 1 29 35064 1 1 58 GLY C C -10.567 -11.116 -0.720 1.00 . A A . 58 GLY C 1 1 29 35065 1 1 58 GLY CA C -10.713 -11.528 -2.186 1.00 . A A . 58 GLY CA 1 1 29 35066 1 1 58 GLY H H -9.084 -10.598 -3.176 1.00 . A A . 58 GLY H 1 1 29 35067 1 1 58 GLY HA2 H -11.773 -11.629 -2.424 1.00 . A A . 58 GLY HA2 1 1 29 35068 1 1 58 GLY HA3 H -10.246 -12.498 -2.356 1.00 . A A . 58 GLY HA3 1 1 29 35069 1 1 58 GLY N N -10.085 -10.537 -3.040 1.00 . A A . 58 GLY N 1 1 29 35070 1 1 58 GLY O O -11.547 -10.709 -0.098 1.00 . A A . 58 GLY O 1 1 29 35071 1 1 59 PRO C C -9.028 -9.655 1.739 1.00 . A A . 59 PRO C 1 1 29 35072 1 1 59 PRO CA C -9.190 -11.106 1.302 1.00 . A A . 59 PRO CA 1 1 29 35073 1 1 59 PRO CB C -7.962 -11.953 1.646 1.00 . A A . 59 PRO CB 1 1 29 35074 1 1 59 PRO CD C -8.163 -11.806 -0.735 1.00 . A A . 59 PRO CD 1 1 29 35075 1 1 59 PRO CG C -7.115 -11.831 0.380 1.00 . A A . 59 PRO CG 1 1 29 35076 1 1 59 PRO HA H -10.076 -11.460 1.827 1.00 . A A . 59 PRO HA 1 1 29 35077 1 1 59 PRO HB2 H -7.429 -11.604 2.532 1.00 . A A . 59 PRO HB2 1 1 29 35078 1 1 59 PRO HB3 H -8.266 -12.993 1.775 1.00 . A A . 59 PRO HB3 1 1 29 35079 1 1 59 PRO HD2 H -7.804 -11.196 -1.564 1.00 . A A . 59 PRO HD2 1 1 29 35080 1 1 59 PRO HD3 H -8.347 -12.826 -1.074 1.00 . A A . 59 PRO HD3 1 1 29 35081 1 1 59 PRO HG2 H -6.575 -10.883 0.394 1.00 . A A . 59 PRO HG2 1 1 29 35082 1 1 59 PRO HG3 H -6.412 -12.658 0.270 1.00 . A A . 59 PRO HG3 1 1 29 35083 1 1 59 PRO N N -9.369 -11.261 -0.130 1.00 . A A . 59 PRO N 1 1 29 35084 1 1 59 PRO O O -8.767 -8.756 0.945 1.00 . A A . 59 PRO O 1 1 29 35085 1 1 60 THR C C -8.861 -8.102 5.077 1.00 . A A . 60 THR C 1 1 29 35086 1 1 60 THR CA C -9.431 -8.145 3.645 1.00 . A A . 60 THR CA 1 1 29 35087 1 1 60 THR CB C -10.936 -7.819 3.503 1.00 . A A . 60 THR CB 1 1 29 35088 1 1 60 THR CG2 C -11.741 -7.654 4.795 1.00 . A A . 60 THR CG2 1 1 29 35089 1 1 60 THR H H -9.505 -10.258 3.588 1.00 . A A . 60 THR H 1 1 29 35090 1 1 60 THR HA H -8.852 -7.413 3.078 1.00 . A A . 60 THR HA 1 1 29 35091 1 1 60 THR HB H -11.430 -8.620 2.947 1.00 . A A . 60 THR HB 1 1 29 35092 1 1 60 THR HG1 H -10.686 -6.886 1.836 1.00 . A A . 60 THR HG1 1 1 29 35093 1 1 60 THR HG21 H -11.430 -6.762 5.334 1.00 . A A . 60 THR HG21 1 1 29 35094 1 1 60 THR HG22 H -12.795 -7.549 4.535 1.00 . A A . 60 THR HG22 1 1 29 35095 1 1 60 THR HG23 H -11.623 -8.538 5.423 1.00 . A A . 60 THR HG23 1 1 29 35096 1 1 60 THR N N -9.235 -9.455 3.042 1.00 . A A . 60 THR N 1 1 29 35097 1 1 60 THR O O -9.013 -7.115 5.803 1.00 . A A . 60 THR O 1 1 29 35098 1 1 60 THR OG1 O -11.076 -6.679 2.697 1.00 . A A . 60 THR OG1 1 1 29 35099 1 1 61 LYS C C -5.927 -9.318 6.391 1.00 . A A . 61 LYS C 1 1 29 35100 1 1 61 LYS CA C -7.413 -9.240 6.734 1.00 . A A . 61 LYS CA 1 1 29 35101 1 1 61 LYS CB C -7.867 -10.458 7.555 1.00 . A A . 61 LYS CB 1 1 29 35102 1 1 61 LYS CD C -9.217 -9.220 9.328 1.00 . A A . 61 LYS CD 1 1 29 35103 1 1 61 LYS CE C -10.399 -9.331 10.307 1.00 . A A . 61 LYS CE 1 1 29 35104 1 1 61 LYS CG C -9.242 -10.290 8.222 1.00 . A A . 61 LYS CG 1 1 29 35105 1 1 61 LYS H H -7.977 -9.891 4.811 1.00 . A A . 61 LYS H 1 1 29 35106 1 1 61 LYS HA H -7.551 -8.342 7.336 1.00 . A A . 61 LYS HA 1 1 29 35107 1 1 61 LYS HB2 H -7.908 -11.333 6.904 1.00 . A A . 61 LYS HB2 1 1 29 35108 1 1 61 LYS HB3 H -7.129 -10.656 8.333 1.00 . A A . 61 LYS HB3 1 1 29 35109 1 1 61 LYS HD2 H -8.277 -9.270 9.883 1.00 . A A . 61 LYS HD2 1 1 29 35110 1 1 61 LYS HD3 H -9.273 -8.241 8.850 1.00 . A A . 61 LYS HD3 1 1 29 35111 1 1 61 LYS HE2 H -10.425 -8.426 10.919 1.00 . A A . 61 LYS HE2 1 1 29 35112 1 1 61 LYS HE3 H -11.335 -9.388 9.747 1.00 . A A . 61 LYS HE3 1 1 29 35113 1 1 61 LYS HG2 H -9.988 -10.033 7.468 1.00 . A A . 61 LYS HG2 1 1 29 35114 1 1 61 LYS HG3 H -9.505 -11.262 8.641 1.00 . A A . 61 LYS HG3 1 1 29 35115 1 1 61 LYS HZ1 H -10.298 -11.359 10.691 1.00 . A A . 61 LYS HZ1 1 1 29 35116 1 1 61 LYS HZ2 H -9.429 -10.445 11.748 1.00 . A A . 61 LYS HZ2 1 1 29 35117 1 1 61 LYS HZ3 H -11.064 -10.501 11.861 1.00 . A A . 61 LYS HZ3 1 1 29 35118 1 1 61 LYS N N -8.159 -9.165 5.486 1.00 . A A . 61 LYS N 1 1 29 35119 1 1 61 LYS NZ N -10.286 -10.495 11.214 1.00 . A A . 61 LYS NZ 1 1 29 35120 1 1 61 LYS O O -5.183 -8.389 6.691 1.00 . A A . 61 LYS O 1 1 29 35121 1 1 62 CYS C C -3.913 -11.236 4.075 1.00 . A A . 62 CYS C 1 1 29 35122 1 1 62 CYS CA C -4.127 -10.769 5.510 1.00 . A A . 62 CYS CA 1 1 29 35123 1 1 62 CYS CB C -3.685 -11.798 6.512 1.00 . A A . 62 CYS CB 1 1 29 35124 1 1 62 CYS H H -6.182 -11.143 5.564 1.00 . A A . 62 CYS H 1 1 29 35125 1 1 62 CYS HA H -3.521 -9.898 5.621 1.00 . A A . 62 CYS HA 1 1 29 35126 1 1 62 CYS HB2 H -4.437 -11.869 7.284 1.00 . A A . 62 CYS HB2 1 1 29 35127 1 1 62 CYS HB3 H -3.585 -12.746 6.002 1.00 . A A . 62 CYS HB3 1 1 29 35128 1 1 62 CYS N N -5.514 -10.425 5.770 1.00 . A A . 62 CYS N 1 1 29 35129 1 1 62 CYS O O -4.802 -11.106 3.235 1.00 . A A . 62 CYS O 1 1 29 35130 1 1 62 CYS SG S -2.110 -11.396 7.309 1.00 . A A . 62 CYS SG 1 1 29 35131 1 1 63 GLY C C -1.972 -11.268 1.506 1.00 . A A . 63 GLY C 1 1 29 35132 1 1 63 GLY CA C -2.363 -12.346 2.509 1.00 . A A . 63 GLY CA 1 1 29 35133 1 1 63 GLY H H -2.016 -11.761 4.523 1.00 . A A . 63 GLY H 1 1 29 35134 1 1 63 GLY HA2 H -1.519 -13.022 2.655 1.00 . A A . 63 GLY HA2 1 1 29 35135 1 1 63 GLY HA3 H -3.204 -12.920 2.115 1.00 . A A . 63 GLY HA3 1 1 29 35136 1 1 63 GLY N N -2.714 -11.751 3.791 1.00 . A A . 63 GLY N 1 1 29 35137 1 1 63 GLY O O -0.896 -11.329 0.924 1.00 . A A . 63 GLY O 1 1 29 35138 1 1 64 GLY C C -1.278 -8.721 0.132 1.00 . A A . 64 GLY C 1 1 29 35139 1 1 64 GLY CA C -2.717 -9.107 0.490 1.00 . A A . 64 GLY CA 1 1 29 35140 1 1 64 GLY H H -3.726 -10.370 1.861 1.00 . A A . 64 GLY H 1 1 29 35141 1 1 64 GLY HA2 H -3.293 -9.267 -0.422 1.00 . A A . 64 GLY HA2 1 1 29 35142 1 1 64 GLY HA3 H -3.157 -8.276 1.044 1.00 . A A . 64 GLY HA3 1 1 29 35143 1 1 64 GLY N N -2.852 -10.273 1.354 1.00 . A A . 64 GLY N 1 1 29 35144 1 1 64 GLY O O -0.914 -8.650 -1.037 1.00 . A A . 64 GLY O 1 1 29 35145 1 1 65 CYS C C 1.965 -8.296 1.508 1.00 . A A . 65 CYS C 1 1 29 35146 1 1 65 CYS CA C 0.713 -7.580 1.009 1.00 . A A . 65 CYS CA 1 1 29 35147 1 1 65 CYS CB C 0.493 -6.293 1.758 1.00 . A A . 65 CYS CB 1 1 29 35148 1 1 65 CYS H H -0.891 -8.457 2.078 1.00 . A A . 65 CYS H 1 1 29 35149 1 1 65 CYS HA H 0.879 -7.331 -0.038 1.00 . A A . 65 CYS HA 1 1 29 35150 1 1 65 CYS HB2 H 0.595 -6.517 2.816 1.00 . A A . 65 CYS HB2 1 1 29 35151 1 1 65 CYS HB3 H 1.242 -5.551 1.481 1.00 . A A . 65 CYS HB3 1 1 29 35152 1 1 65 CYS N N -0.486 -8.399 1.159 1.00 . A A . 65 CYS N 1 1 29 35153 1 1 65 CYS O O 3.056 -8.044 1.008 1.00 . A A . 65 CYS O 1 1 29 35154 1 1 65 CYS SG S -1.183 -5.681 1.371 1.00 . A A . 65 CYS SG 1 1 29 35155 1 1 66 HIS C C 2.848 -11.324 2.280 1.00 . A A . 66 HIS C 1 1 29 35156 1 1 66 HIS CA C 2.893 -9.997 3.021 1.00 . A A . 66 HIS CA 1 1 29 35157 1 1 66 HIS CB C 2.705 -10.233 4.524 1.00 . A A . 66 HIS CB 1 1 29 35158 1 1 66 HIS CD2 C 1.686 -8.465 6.067 1.00 . A A . 66 HIS CD2 1 1 29 35159 1 1 66 HIS CE1 C 3.349 -7.056 6.186 1.00 . A A . 66 HIS CE1 1 1 29 35160 1 1 66 HIS CG C 2.721 -8.968 5.331 1.00 . A A . 66 HIS CG 1 1 29 35161 1 1 66 HIS H H 0.879 -9.387 2.815 1.00 . A A . 66 HIS H 1 1 29 35162 1 1 66 HIS HA H 3.857 -9.511 2.862 1.00 . A A . 66 HIS HA 1 1 29 35163 1 1 66 HIS HB2 H 1.767 -10.764 4.688 1.00 . A A . 66 HIS HB2 1 1 29 35164 1 1 66 HIS HB3 H 3.506 -10.885 4.873 1.00 . A A . 66 HIS HB3 1 1 29 35165 1 1 66 HIS HD1 H 4.653 -8.137 4.946 1.00 . A A . 66 HIS HD1 1 1 29 35166 1 1 66 HIS HD2 H 0.712 -8.890 6.213 1.00 . A A . 66 HIS HD2 1 1 29 35167 1 1 66 HIS HE1 H 3.936 -6.190 6.436 1.00 . A A . 66 HIS HE1 1 1 29 35168 1 1 66 HIS N N 1.813 -9.172 2.506 1.00 . A A . 66 HIS N 1 1 29 35169 1 1 66 HIS ND1 N 3.761 -8.075 5.410 1.00 . A A . 66 HIS ND1 1 1 29 35170 1 1 66 HIS NE2 N 2.088 -7.247 6.601 1.00 . A A . 66 HIS NE2 1 1 29 35171 1 1 66 HIS O O 1.910 -12.094 2.480 1.00 . A A . 66 HIS O 1 1 29 35172 1 1 67 ILE C C 4.466 -13.929 1.608 1.00 . A A . 67 ILE C 1 1 29 35173 1 1 67 ILE CA C 3.884 -12.850 0.692 1.00 . A A . 67 ILE CA 1 1 29 35174 1 1 67 ILE CB C 4.646 -12.642 -0.636 1.00 . A A . 67 ILE CB 1 1 29 35175 1 1 67 ILE CD1 C 4.618 -10.137 -1.233 1.00 . A A . 67 ILE CD1 1 1 29 35176 1 1 67 ILE CG1 C 4.002 -11.517 -1.473 1.00 . A A . 67 ILE CG1 1 1 29 35177 1 1 67 ILE CG2 C 4.601 -13.918 -1.492 1.00 . A A . 67 ILE CG2 1 1 29 35178 1 1 67 ILE H H 4.658 -10.998 1.412 1.00 . A A . 67 ILE H 1 1 29 35179 1 1 67 ILE HA H 2.866 -13.150 0.431 1.00 . A A . 67 ILE HA 1 1 29 35180 1 1 67 ILE HB H 5.691 -12.397 -0.435 1.00 . A A . 67 ILE HB 1 1 29 35181 1 1 67 ILE HD11 H 4.081 -9.412 -1.841 1.00 . A A . 67 ILE HD11 1 1 29 35182 1 1 67 ILE HD12 H 4.535 -9.831 -0.195 1.00 . A A . 67 ILE HD12 1 1 29 35183 1 1 67 ILE HD13 H 5.669 -10.143 -1.522 1.00 . A A . 67 ILE HD13 1 1 29 35184 1 1 67 ILE HG12 H 4.136 -11.726 -2.535 1.00 . A A . 67 ILE HG12 1 1 29 35185 1 1 67 ILE HG13 H 2.929 -11.475 -1.277 1.00 . A A . 67 ILE HG13 1 1 29 35186 1 1 67 ILE HG21 H 5.163 -13.756 -2.412 1.00 . A A . 67 ILE HG21 1 1 29 35187 1 1 67 ILE HG22 H 5.046 -14.764 -0.971 1.00 . A A . 67 ILE HG22 1 1 29 35188 1 1 67 ILE HG23 H 3.567 -14.157 -1.742 1.00 . A A . 67 ILE HG23 1 1 29 35189 1 1 67 ILE N N 3.850 -11.614 1.453 1.00 . A A . 67 ILE N 1 1 29 35190 1 1 67 ILE O O 5.597 -14.376 1.420 1.00 . A A . 67 ILE O 1 1 29 35191 1 1 68 LYS C C 2.871 -15.657 4.464 1.00 . A A . 68 LYS C 1 1 29 35192 1 1 68 LYS CA C 4.094 -15.293 3.633 1.00 . A A . 68 LYS CA 1 1 29 35193 1 1 68 LYS CB C 5.210 -14.722 4.527 1.00 . A A . 68 LYS CB 1 1 29 35194 1 1 68 LYS CD C 6.432 -16.843 5.042 1.00 . A A . 68 LYS CD 1 1 29 35195 1 1 68 LYS CE C 7.659 -17.696 4.706 1.00 . A A . 68 LYS CE 1 1 29 35196 1 1 68 LYS CG C 6.521 -15.491 4.329 1.00 . A A . 68 LYS CG 1 1 29 35197 1 1 68 LYS H H 2.776 -13.912 2.785 1.00 . A A . 68 LYS H 1 1 29 35198 1 1 68 LYS HA H 4.421 -16.193 3.114 1.00 . A A . 68 LYS HA 1 1 29 35199 1 1 68 LYS HB2 H 5.364 -13.671 4.290 1.00 . A A . 68 LYS HB2 1 1 29 35200 1 1 68 LYS HB3 H 4.922 -14.774 5.579 1.00 . A A . 68 LYS HB3 1 1 29 35201 1 1 68 LYS HD2 H 6.369 -16.658 6.117 1.00 . A A . 68 LYS HD2 1 1 29 35202 1 1 68 LYS HD3 H 5.519 -17.359 4.732 1.00 . A A . 68 LYS HD3 1 1 29 35203 1 1 68 LYS HE2 H 7.698 -17.849 3.625 1.00 . A A . 68 LYS HE2 1 1 29 35204 1 1 68 LYS HE3 H 8.562 -17.166 5.014 1.00 . A A . 68 LYS HE3 1 1 29 35205 1 1 68 LYS HG2 H 6.707 -15.618 3.263 1.00 . A A . 68 LYS HG2 1 1 29 35206 1 1 68 LYS HG3 H 7.342 -14.912 4.752 1.00 . A A . 68 LYS HG3 1 1 29 35207 1 1 68 LYS HZ1 H 6.765 -19.501 5.095 1.00 . A A . 68 LYS HZ1 1 1 29 35208 1 1 68 LYS HZ2 H 8.411 -19.560 5.121 1.00 . A A . 68 LYS HZ2 1 1 29 35209 1 1 68 LYS HZ3 H 7.589 -18.884 6.378 1.00 . A A . 68 LYS HZ3 1 1 29 35210 1 1 68 LYS N N 3.703 -14.316 2.634 1.00 . A A . 68 LYS N 1 1 29 35211 1 1 68 LYS NZ N 7.603 -19.010 5.377 1.00 . A A . 68 LYS NZ 1 1 29 35212 1 1 68 LYS O O 1.880 -14.899 4.372 1.00 . A A . 68 LYS O 1 1 29 35213 1 1 68 LYS OXT O 2.964 -16.679 5.181 1.00 . A A . 68 LYS OXT 1 1 29 35214 2 2 1 HEC C1A C 7.643 7.734 -2.727 1.00 . B A . 69 HEC C1A 1 1 29 35215 2 2 1 HEC C1B C 5.418 8.759 -6.243 1.00 . B A . 69 HEC C1B 1 1 29 35216 2 2 1 HEC C1C C 2.341 6.021 -5.125 1.00 . B A . 69 HEC C1C 1 1 29 35217 2 2 1 HEC C1D C 4.427 5.245 -1.497 1.00 . B A . 69 HEC C1D 1 1 29 35218 2 2 1 HEC C2A C 8.770 8.600 -3.001 1.00 . B A . 69 HEC C2A 1 1 29 35219 2 2 1 HEC C2B C 4.800 9.212 -7.469 1.00 . B A . 69 HEC C2B 1 1 29 35220 2 2 1 HEC C2C C 1.141 5.291 -4.809 1.00 . B A . 69 HEC C2C 1 1 29 35221 2 2 1 HEC C2D C 5.045 4.751 -0.295 1.00 . B A . 69 HEC C2D 1 1 29 35222 2 2 1 HEC C3A C 8.452 9.313 -4.128 1.00 . B A . 69 HEC C3A 1 1 29 35223 2 2 1 HEC C3B C 3.641 8.489 -7.632 1.00 . B A . 69 HEC C3B 1 1 29 35224 2 2 1 HEC C3C C 1.267 4.850 -3.509 1.00 . B A . 69 HEC C3C 1 1 29 35225 2 2 1 HEC C3D C 6.279 5.349 -0.208 1.00 . B A . 69 HEC C3D 1 1 29 35226 2 2 1 HEC C4A C 7.186 8.817 -4.607 1.00 . B A . 69 HEC C4A 1 1 29 35227 2 2 1 HEC C4B C 3.581 7.543 -6.536 1.00 . B A . 69 HEC C4B 1 1 29 35228 2 2 1 HEC C4C C 2.603 5.218 -3.070 1.00 . B A . 69 HEC C4C 1 1 29 35229 2 2 1 HEC C4D C 6.427 6.161 -1.391 1.00 . B A . 69 HEC C4D 1 1 29 35230 2 2 1 HEC CAA C 10.097 8.669 -2.274 1.00 . B A . 69 HEC CAA 1 1 29 35231 2 2 1 HEC CAB C 2.471 8.875 -8.521 1.00 . B A . 69 HEC CAB 1 1 29 35232 2 2 1 HEC CAC C 0.160 4.249 -2.656 1.00 . B A . 69 HEC CAC 1 1 29 35233 2 2 1 HEC CAD C 7.307 5.303 0.898 1.00 . B A . 69 HEC CAD 1 1 29 35234 2 2 1 HEC CBA C 10.338 9.978 -1.514 1.00 . B A . 69 HEC CBA 1 1 29 35235 2 2 1 HEC CBB C 2.810 9.237 -9.974 1.00 . B A . 69 HEC CBB 1 1 29 35236 2 2 1 HEC CBC C -0.263 2.837 -3.070 1.00 . B A . 69 HEC CBC 1 1 29 35237 2 2 1 HEC CBD C 6.936 4.661 2.233 1.00 . B A . 69 HEC CBD 1 1 29 35238 2 2 1 HEC CGA C 11.812 10.162 -1.147 1.00 . B A . 69 HEC CGA 1 1 29 35239 2 2 1 HEC CGD C 7.882 5.130 3.325 1.00 . B A . 69 HEC CGD 1 1 29 35240 2 2 1 HEC CHA C 7.537 6.932 -1.620 1.00 . B A . 69 HEC CHA 1 1 29 35241 2 2 1 HEC CHB C 6.588 9.290 -5.741 1.00 . B A . 69 HEC CHB 1 1 29 35242 2 2 1 HEC CHC C 2.505 6.708 -6.304 1.00 . B A . 69 HEC CHC 1 1 29 35243 2 2 1 HEC CHD C 3.155 4.891 -1.840 1.00 . B A . 69 HEC CHD 1 1 29 35244 2 2 1 HEC CMA C 9.284 10.409 -4.758 1.00 . B A . 69 HEC CMA 1 1 29 35245 2 2 1 HEC CMB C 5.290 10.309 -8.390 1.00 . B A . 69 HEC CMB 1 1 29 35246 2 2 1 HEC CMC C -0.074 5.203 -5.712 1.00 . B A . 69 HEC CMC 1 1 29 35247 2 2 1 HEC CMD C 4.402 3.737 0.618 1.00 . B A . 69 HEC CMD 1 1 29 35248 2 2 1 HEC FE FE 4.972 6.875 -3.961 1.00 . B A . 69 HEC FE 1 1 29 35249 2 2 1 HEC HAA1 H 10.220 7.842 -1.578 1.00 . B A . 69 HEC HAA1 1 1 29 35250 2 2 1 HEC HAA2 H 10.887 8.573 -3.020 1.00 . B A . 69 HEC HAA2 1 1 29 35251 2 2 1 HEC HAB H 1.782 8.040 -8.594 1.00 . B A . 69 HEC HAB 1 1 29 35252 2 2 1 HEC HAC H 0.481 4.208 -1.617 1.00 . B A . 69 HEC HAC 1 1 29 35253 2 2 1 HEC HAD1 H 8.222 4.837 0.536 1.00 . B A . 69 HEC HAD1 1 1 29 35254 2 2 1 HEC HAD2 H 7.542 6.335 1.123 1.00 . B A . 69 HEC HAD2 1 1 29 35255 2 2 1 HEC HBA1 H 10.009 10.834 -2.106 1.00 . B A . 69 HEC HBA1 1 1 29 35256 2 2 1 HEC HBA2 H 9.750 9.952 -0.605 1.00 . B A . 69 HEC HBA2 1 1 29 35257 2 2 1 HEC HBB1 H 3.197 10.250 -10.050 1.00 . B A . 69 HEC HBB1 1 1 29 35258 2 2 1 HEC HBB2 H 3.535 8.529 -10.376 1.00 . B A . 69 HEC HBB2 1 1 29 35259 2 2 1 HEC HBB3 H 1.906 9.178 -10.583 1.00 . B A . 69 HEC HBB3 1 1 29 35260 2 2 1 HEC HBC1 H -0.441 2.794 -4.141 1.00 . B A . 69 HEC HBC1 1 1 29 35261 2 2 1 HEC HBC2 H 0.511 2.113 -2.817 1.00 . B A . 69 HEC HBC2 1 1 29 35262 2 2 1 HEC HBC3 H -1.190 2.577 -2.561 1.00 . B A . 69 HEC HBC3 1 1 29 35263 2 2 1 HEC HBD1 H 5.930 4.975 2.516 1.00 . B A . 69 HEC HBD1 1 1 29 35264 2 2 1 HEC HBD2 H 7.004 3.577 2.173 1.00 . B A . 69 HEC HBD2 1 1 29 35265 2 2 1 HEC HHA H 8.301 6.960 -0.861 1.00 . B A . 69 HEC HHA 1 1 29 35266 2 2 1 HEC HHB H 7.046 10.130 -6.221 1.00 . B A . 69 HEC HHB 1 1 29 35267 2 2 1 HEC HHC H 1.703 6.668 -7.013 1.00 . B A . 69 HEC HHC 1 1 29 35268 2 2 1 HEC HHD H 2.619 4.353 -1.074 1.00 . B A . 69 HEC HHD 1 1 29 35269 2 2 1 HEC HMA1 H 8.825 11.375 -4.537 1.00 . B A . 69 HEC HMA1 1 1 29 35270 2 2 1 HEC HMA2 H 10.295 10.408 -4.353 1.00 . B A . 69 HEC HMA2 1 1 29 35271 2 2 1 HEC HMA3 H 9.349 10.267 -5.834 1.00 . B A . 69 HEC HMA3 1 1 29 35272 2 2 1 HEC HMB1 H 5.407 9.908 -9.395 1.00 . B A . 69 HEC HMB1 1 1 29 35273 2 2 1 HEC HMB2 H 4.554 11.113 -8.396 1.00 . B A . 69 HEC HMB2 1 1 29 35274 2 2 1 HEC HMB3 H 6.246 10.726 -8.089 1.00 . B A . 69 HEC HMB3 1 1 29 35275 2 2 1 HEC HMC1 H -0.461 6.207 -5.883 1.00 . B A . 69 HEC HMC1 1 1 29 35276 2 2 1 HEC HMC2 H 0.212 4.754 -6.663 1.00 . B A . 69 HEC HMC2 1 1 29 35277 2 2 1 HEC HMC3 H -0.870 4.611 -5.272 1.00 . B A . 69 HEC HMC3 1 1 29 35278 2 2 1 HEC HMD1 H 3.992 2.922 0.020 1.00 . B A . 69 HEC HMD1 1 1 29 35279 2 2 1 HEC HMD2 H 5.090 3.282 1.319 1.00 . B A . 69 HEC HMD2 1 1 29 35280 2 2 1 HEC HMD3 H 3.601 4.243 1.150 1.00 . B A . 69 HEC HMD3 1 1 29 35281 2 2 1 HEC NA N 6.745 7.864 -3.752 1.00 . B A . 69 HEC NA 1 1 29 35282 2 2 1 HEC NB N 4.665 7.750 -5.730 1.00 . B A . 69 HEC NB 1 1 29 35283 2 2 1 HEC NC N 3.189 5.947 -4.072 1.00 . B A . 69 HEC NC 1 1 29 35284 2 2 1 HEC ND N 5.311 6.039 -2.147 1.00 . B A . 69 HEC ND 1 1 29 35285 2 2 1 HEC O1A O 12.096 10.214 0.070 1.00 . B A . 69 HEC O1A 1 1 29 35286 2 2 1 HEC O1D O 9.036 5.509 3.031 1.00 . B A . 69 HEC O1D 1 1 29 35287 2 2 1 HEC O2A O 12.623 10.229 -2.096 1.00 . B A . 69 HEC O2A 1 1 29 35288 2 2 1 HEC O2D O 7.418 5.271 4.475 1.00 . B A . 69 HEC O2D 1 1 29 35289 3 2 1 HEC C1A C -2.568 -4.512 -4.489 1.00 . C A . 70 HEC C1A 1 1 29 35290 3 2 1 HEC C1B C -0.547 -2.184 -1.496 1.00 . C A . 70 HEC C1B 1 1 29 35291 3 2 1 HEC C1C C -3.496 0.842 -1.878 1.00 . C A . 70 HEC C1C 1 1 29 35292 3 2 1 HEC C1D C -5.418 -1.356 -5.006 1.00 . C A . 70 HEC C1D 1 1 29 35293 3 2 1 HEC C2A C -1.621 -5.608 -4.483 1.00 . C A . 70 HEC C2A 1 1 29 35294 3 2 1 HEC C2B C 0.206 -1.558 -0.435 1.00 . C A . 70 HEC C2B 1 1 29 35295 3 2 1 HEC C2C C -4.384 1.972 -1.902 1.00 . C A . 70 HEC C2C 1 1 29 35296 3 2 1 HEC C2D C -6.138 -1.959 -6.104 1.00 . C A . 70 HEC C2D 1 1 29 35297 3 2 1 HEC C3A C -0.695 -5.330 -3.505 1.00 . C A . 70 HEC C3A 1 1 29 35298 3 2 1 HEC C3B C -0.428 -0.376 -0.128 1.00 . C A . 70 HEC C3B 1 1 29 35299 3 2 1 HEC C3C C -5.381 1.673 -2.798 1.00 . C A . 70 HEC C3C 1 1 29 35300 3 2 1 HEC C3D C -5.510 -3.148 -6.392 1.00 . C A . 70 HEC C3D 1 1 29 35301 3 2 1 HEC C4A C -1.014 -4.038 -2.953 1.00 . C A . 70 HEC C4A 1 1 29 35302 3 2 1 HEC C4B C -1.529 -0.252 -1.057 1.00 . C A . 70 HEC C4B 1 1 29 35303 3 2 1 HEC C4C C -5.007 0.436 -3.447 1.00 . C A . 70 HEC C4C 1 1 29 35304 3 2 1 HEC C4D C -4.456 -3.319 -5.418 1.00 . C A . 70 HEC C4D 1 1 29 35305 3 2 1 HEC CAA C -1.509 -6.736 -5.493 1.00 . C A . 70 HEC CAA 1 1 29 35306 3 2 1 HEC CAB C -0.108 0.568 1.026 1.00 . C A . 70 HEC CAB 1 1 29 35307 3 2 1 HEC CAC C -6.728 2.366 -2.896 1.00 . C A . 70 HEC CAC 1 1 29 35308 3 2 1 HEC CAD C -5.707 -3.969 -7.650 1.00 . C A . 70 HEC CAD 1 1 29 35309 3 2 1 HEC CBA C -1.953 -8.117 -4.983 1.00 . C A . 70 HEC CBA 1 1 29 35310 3 2 1 HEC CBB C 1.217 1.317 0.855 1.00 . C A . 70 HEC CBB 1 1 29 35311 3 2 1 HEC CBC C -6.685 3.623 -3.754 1.00 . C A . 70 HEC CBC 1 1 29 35312 3 2 1 HEC CBD C -4.574 -3.733 -8.657 1.00 . C A . 70 HEC CBD 1 1 29 35313 3 2 1 HEC CGA C -3.469 -8.252 -4.798 1.00 . C A . 70 HEC CGA 1 1 29 35314 3 2 1 HEC CGD C -4.965 -4.053 -10.102 1.00 . C A . 70 HEC CGD 1 1 29 35315 3 2 1 HEC CHA C -3.619 -4.405 -5.377 1.00 . C A . 70 HEC CHA 1 1 29 35316 3 2 1 HEC CHB C -0.242 -3.426 -1.981 1.00 . C A . 70 HEC CHB 1 1 29 35317 3 2 1 HEC CHC C -2.435 0.772 -1.018 1.00 . C A . 70 HEC CHC 1 1 29 35318 3 2 1 HEC CHD C -5.736 -0.132 -4.467 1.00 . C A . 70 HEC CHD 1 1 29 35319 3 2 1 HEC CMA C 0.510 -6.163 -3.146 1.00 . C A . 70 HEC CMA 1 1 29 35320 3 2 1 HEC CMB C 1.382 -2.183 0.280 1.00 . C A . 70 HEC CMB 1 1 29 35321 3 2 1 HEC CMC C -4.230 3.233 -1.080 1.00 . C A . 70 HEC CMC 1 1 29 35322 3 2 1 HEC CMD C -7.300 -1.360 -6.865 1.00 . C A . 70 HEC CMD 1 1 29 35323 3 2 1 HEC FE FE -3.020 -1.793 -3.245 1.00 . C A . 70 HEC FE 1 1 29 35324 3 2 1 HEC HAA1 H -2.069 -6.503 -6.396 1.00 . C A . 70 HEC HAA1 1 1 29 35325 3 2 1 HEC HAA2 H -0.461 -6.802 -5.788 1.00 . C A . 70 HEC HAA2 1 1 29 35326 3 2 1 HEC HAB H -0.856 1.348 1.102 1.00 . C A . 70 HEC HAB 1 1 29 35327 3 2 1 HEC HAC H -7.463 1.691 -3.332 1.00 . C A . 70 HEC HAC 1 1 29 35328 3 2 1 HEC HAD1 H -5.756 -5.032 -7.405 1.00 . C A . 70 HEC HAD1 1 1 29 35329 3 2 1 HEC HAD2 H -6.643 -3.688 -8.129 1.00 . C A . 70 HEC HAD2 1 1 29 35330 3 2 1 HEC HBA1 H -1.637 -8.862 -5.715 1.00 . C A . 70 HEC HBA1 1 1 29 35331 3 2 1 HEC HBA2 H -1.451 -8.334 -4.041 1.00 . C A . 70 HEC HBA2 1 1 29 35332 3 2 1 HEC HBB1 H 1.229 1.819 -0.113 1.00 . C A . 70 HEC HBB1 1 1 29 35333 3 2 1 HEC HBB2 H 1.299 2.069 1.638 1.00 . C A . 70 HEC HBB2 1 1 29 35334 3 2 1 HEC HBB3 H 2.075 0.650 0.914 1.00 . C A . 70 HEC HBB3 1 1 29 35335 3 2 1 HEC HBC1 H -7.546 4.259 -3.548 1.00 . C A . 70 HEC HBC1 1 1 29 35336 3 2 1 HEC HBC2 H -5.760 4.163 -3.547 1.00 . C A . 70 HEC HBC2 1 1 29 35337 3 2 1 HEC HBC3 H -6.713 3.318 -4.799 1.00 . C A . 70 HEC HBC3 1 1 29 35338 3 2 1 HEC HBD1 H -4.301 -2.676 -8.629 1.00 . C A . 70 HEC HBD1 1 1 29 35339 3 2 1 HEC HBD2 H -3.698 -4.314 -8.365 1.00 . C A . 70 HEC HBD2 1 1 29 35340 3 2 1 HEC HHA H -3.806 -5.223 -6.055 1.00 . C A . 70 HEC HHA 1 1 29 35341 3 2 1 HEC HHB H 0.626 -3.930 -1.577 1.00 . C A . 70 HEC HHB 1 1 29 35342 3 2 1 HEC HHC H -2.339 1.533 -0.268 1.00 . C A . 70 HEC HHC 1 1 29 35343 3 2 1 HEC HHD H -6.561 0.424 -4.863 1.00 . C A . 70 HEC HHD 1 1 29 35344 3 2 1 HEC HMA1 H 0.481 -7.127 -3.650 1.00 . C A . 70 HEC HMA1 1 1 29 35345 3 2 1 HEC HMA2 H 1.404 -5.624 -3.458 1.00 . C A . 70 HEC HMA2 1 1 29 35346 3 2 1 HEC HMA3 H 0.525 -6.329 -2.072 1.00 . C A . 70 HEC HMA3 1 1 29 35347 3 2 1 HEC HMB1 H 1.791 -1.517 1.035 1.00 . C A . 70 HEC HMB1 1 1 29 35348 3 2 1 HEC HMB2 H 1.038 -3.097 0.765 1.00 . C A . 70 HEC HMB2 1 1 29 35349 3 2 1 HEC HMB3 H 2.166 -2.413 -0.442 1.00 . C A . 70 HEC HMB3 1 1 29 35350 3 2 1 HEC HMC1 H -3.202 3.588 -1.133 1.00 . C A . 70 HEC HMC1 1 1 29 35351 3 2 1 HEC HMC2 H -4.879 4.023 -1.453 1.00 . C A . 70 HEC HMC2 1 1 29 35352 3 2 1 HEC HMC3 H -4.493 3.025 -0.043 1.00 . C A . 70 HEC HMC3 1 1 29 35353 3 2 1 HEC HMD1 H -7.828 -0.614 -6.275 1.00 . C A . 70 HEC HMD1 1 1 29 35354 3 2 1 HEC HMD2 H -6.918 -0.892 -7.773 1.00 . C A . 70 HEC HMD2 1 1 29 35355 3 2 1 HEC HMD3 H -8.005 -2.145 -7.136 1.00 . C A . 70 HEC HMD3 1 1 29 35356 3 2 1 HEC NA N -2.152 -3.581 -3.564 1.00 . C A . 70 HEC NA 1 1 29 35357 3 2 1 HEC NB N -1.575 -1.360 -1.843 1.00 . C A . 70 HEC NB 1 1 29 35358 3 2 1 HEC NC N -3.889 -0.037 -2.837 1.00 . C A . 70 HEC NC 1 1 29 35359 3 2 1 HEC ND N -4.433 -2.206 -4.633 1.00 . C A . 70 HEC ND 1 1 29 35360 3 2 1 HEC O1A O -4.214 -7.520 -5.487 1.00 . C A . 70 HEC O1A 1 1 29 35361 3 2 1 HEC O1D O -4.297 -4.878 -10.769 1.00 . C A . 70 HEC O1D 1 1 29 35362 3 2 1 HEC O2A O -3.880 -9.097 -3.969 1.00 . C A . 70 HEC O2A 1 1 29 35363 3 2 1 HEC O2D O -5.856 -3.363 -10.651 1.00 . C A . 70 HEC O2D 1 1 29 35364 4 2 1 HEC C1A C 3.444 -5.317 9.300 1.00 . D A . 71 HEC C1A 1 1 29 35365 4 2 1 HEC C1B C 0.372 -8.256 9.649 1.00 . D A . 71 HEC C1B 1 1 29 35366 4 2 1 HEC C1C C -1.315 -6.865 5.995 1.00 . D A . 71 HEC C1C 1 1 29 35367 4 2 1 HEC C1D C 1.702 -3.932 5.654 1.00 . D A . 71 HEC C1D 1 1 29 35368 4 2 1 HEC C2A C 4.182 -5.694 10.481 1.00 . D A . 71 HEC C2A 1 1 29 35369 4 2 1 HEC C2B C -0.563 -9.349 9.835 1.00 . D A . 71 HEC C2B 1 1 29 35370 4 2 1 HEC C2C C -1.944 -6.660 4.720 1.00 . D A . 71 HEC C2C 1 1 29 35371 4 2 1 HEC C2D C 2.667 -2.887 5.415 1.00 . D A . 71 HEC C2D 1 1 29 35372 4 2 1 HEC C3A C 3.448 -6.678 11.104 1.00 . D A . 71 HEC C3A 1 1 29 35373 4 2 1 HEC C3B C -1.501 -9.252 8.832 1.00 . D A . 71 HEC C3B 1 1 29 35374 4 2 1 HEC C3C C -1.328 -5.562 4.156 1.00 . D A . 71 HEC C3C 1 1 29 35375 4 2 1 HEC C3D C 3.535 -2.885 6.481 1.00 . D A . 71 HEC C3D 1 1 29 35376 4 2 1 HEC C4A C 2.347 -7.004 10.224 1.00 . D A . 71 HEC C4A 1 1 29 35377 4 2 1 HEC C4B C -1.083 -8.158 7.992 1.00 . D A . 71 HEC C4B 1 1 29 35378 4 2 1 HEC C4C C -0.225 -5.221 5.038 1.00 . D A . 71 HEC C4C 1 1 29 35379 4 2 1 HEC C4D C 3.102 -3.925 7.374 1.00 . D A . 71 HEC C4D 1 1 29 35380 4 2 1 HEC CAA C 5.517 -5.110 10.916 1.00 . D A . 71 HEC CAA 1 1 29 35381 4 2 1 HEC CAB C -2.675 -10.174 8.526 1.00 . D A . 71 HEC CAB 1 1 29 35382 4 2 1 HEC CAC C -1.696 -4.821 2.875 1.00 . D A . 71 HEC CAC 1 1 29 35383 4 2 1 HEC CAD C 4.802 -2.078 6.640 1.00 . D A . 71 HEC CAD 1 1 29 35384 4 2 1 HEC CBA C 6.718 -5.732 10.186 1.00 . D A . 71 HEC CBA 1 1 29 35385 4 2 1 HEC CBB C -3.340 -10.849 9.728 1.00 . D A . 71 HEC CBB 1 1 29 35386 4 2 1 HEC CBC C -3.172 -4.460 2.715 1.00 . D A . 71 HEC CBC 1 1 29 35387 4 2 1 HEC CBD C 6.086 -2.924 6.592 1.00 . D A . 71 HEC CBD 1 1 29 35388 4 2 1 HEC CGA C 7.063 -7.130 10.703 1.00 . D A . 71 HEC CGA 1 1 29 35389 4 2 1 HEC CGD C 7.134 -2.337 5.643 1.00 . D A . 71 HEC CGD 1 1 29 35390 4 2 1 HEC CHA C 3.804 -4.273 8.496 1.00 . D A . 71 HEC CHA 1 1 29 35391 4 2 1 HEC CHB C 1.431 -7.993 10.496 1.00 . D A . 71 HEC CHB 1 1 29 35392 4 2 1 HEC CHC C -1.723 -7.844 6.830 1.00 . D A . 71 HEC CHC 1 1 29 35393 4 2 1 HEC CHD C 0.693 -4.234 4.770 1.00 . D A . 71 HEC CHD 1 1 29 35394 4 2 1 HEC CMA C 3.641 -7.218 12.504 1.00 . D A . 71 HEC CMA 1 1 29 35395 4 2 1 HEC CMB C -0.453 -10.461 10.855 1.00 . D A . 71 HEC CMB 1 1 29 35396 4 2 1 HEC CMC C -2.937 -7.641 4.122 1.00 . D A . 71 HEC CMC 1 1 29 35397 4 2 1 HEC CMD C 2.681 -1.958 4.226 1.00 . D A . 71 HEC CMD 1 1 29 35398 4 2 1 HEC FE FE 1.000 -6.063 7.698 1.00 . D A . 71 HEC FE 1 1 29 35399 4 2 1 HEC HAA1 H 5.530 -4.042 10.715 1.00 . D A . 71 HEC HAA1 1 1 29 35400 4 2 1 HEC HAA2 H 5.661 -5.221 11.989 1.00 . D A . 71 HEC HAA2 1 1 29 35401 4 2 1 HEC HAB H -3.475 -9.595 8.063 1.00 . D A . 71 HEC HAB 1 1 29 35402 4 2 1 HEC HAC H -1.179 -3.869 2.862 1.00 . D A . 71 HEC HAC 1 1 29 35403 4 2 1 HEC HAD1 H 4.862 -1.331 5.859 1.00 . D A . 71 HEC HAD1 1 1 29 35404 4 2 1 HEC HAD2 H 4.773 -1.546 7.586 1.00 . D A . 71 HEC HAD2 1 1 29 35405 4 2 1 HEC HBA1 H 6.498 -5.794 9.116 1.00 . D A . 71 HEC HBA1 1 1 29 35406 4 2 1 HEC HBA2 H 7.589 -5.091 10.328 1.00 . D A . 71 HEC HBA2 1 1 29 35407 4 2 1 HEC HBB1 H -2.753 -11.694 10.080 1.00 . D A . 71 HEC HBB1 1 1 29 35408 4 2 1 HEC HBB2 H -3.469 -10.120 10.529 1.00 . D A . 71 HEC HBB2 1 1 29 35409 4 2 1 HEC HBB3 H -4.322 -11.216 9.438 1.00 . D A . 71 HEC HBB3 1 1 29 35410 4 2 1 HEC HBC1 H -3.276 -3.858 1.813 1.00 . D A . 71 HEC HBC1 1 1 29 35411 4 2 1 HEC HBC2 H -3.794 -5.345 2.610 1.00 . D A . 71 HEC HBC2 1 1 29 35412 4 2 1 HEC HBC3 H -3.494 -3.880 3.574 1.00 . D A . 71 HEC HBC3 1 1 29 35413 4 2 1 HEC HBD1 H 6.503 -2.982 7.600 1.00 . D A . 71 HEC HBD1 1 1 29 35414 4 2 1 HEC HBD2 H 5.853 -3.940 6.271 1.00 . D A . 71 HEC HBD2 1 1 29 35415 4 2 1 HEC HHA H 4.692 -3.717 8.725 1.00 . D A . 71 HEC HHA 1 1 29 35416 4 2 1 HEC HHB H 1.548 -8.568 11.392 1.00 . D A . 71 HEC HHB 1 1 29 35417 4 2 1 HEC HHC H -2.571 -8.409 6.528 1.00 . D A . 71 HEC HHC 1 1 29 35418 4 2 1 HEC HHD H 0.648 -3.719 3.824 1.00 . D A . 71 HEC HHD 1 1 29 35419 4 2 1 HEC HMA1 H 4.526 -6.794 12.972 1.00 . D A . 71 HEC HMA1 1 1 29 35420 4 2 1 HEC HMA2 H 2.772 -6.954 13.106 1.00 . D A . 71 HEC HMA2 1 1 29 35421 4 2 1 HEC HMA3 H 3.752 -8.299 12.489 1.00 . D A . 71 HEC HMA3 1 1 29 35422 4 2 1 HEC HMB1 H -0.586 -11.413 10.343 1.00 . D A . 71 HEC HMB1 1 1 29 35423 4 2 1 HEC HMB2 H 0.529 -10.487 11.319 1.00 . D A . 71 HEC HMB2 1 1 29 35424 4 2 1 HEC HMB3 H -1.213 -10.336 11.625 1.00 . D A . 71 HEC HMB3 1 1 29 35425 4 2 1 HEC HMC1 H -3.859 -7.656 4.706 1.00 . D A . 71 HEC HMC1 1 1 29 35426 4 2 1 HEC HMC2 H -3.154 -7.399 3.089 1.00 . D A . 71 HEC HMC2 1 1 29 35427 4 2 1 HEC HMC3 H -2.522 -8.655 4.173 1.00 . D A . 71 HEC HMC3 1 1 29 35428 4 2 1 HEC HMD1 H 3.675 -1.544 4.065 1.00 . D A . 71 HEC HMD1 1 1 29 35429 4 2 1 HEC HMD2 H 2.388 -2.492 3.330 1.00 . D A . 71 HEC HMD2 1 1 29 35430 4 2 1 HEC HMD3 H 1.966 -1.157 4.395 1.00 . D A . 71 HEC HMD3 1 1 29 35431 4 2 1 HEC NA N 2.374 -6.147 9.176 1.00 . D A . 71 HEC NA 1 1 29 35432 4 2 1 HEC NB N 0.031 -7.599 8.508 1.00 . D A . 71 HEC NB 1 1 29 35433 4 2 1 HEC NC N -0.289 -6.025 6.136 1.00 . D A . 71 HEC NC 1 1 29 35434 4 2 1 HEC ND N 1.996 -4.512 6.856 1.00 . D A . 71 HEC ND 1 1 29 35435 4 2 1 HEC O1A O 6.633 -7.485 11.825 1.00 . D A . 71 HEC O1A 1 1 29 35436 4 2 1 HEC O1D O 8.307 -2.268 6.069 1.00 . D A . 71 HEC O1D 1 1 29 35437 4 2 1 HEC O2A O 7.671 -7.940 9.961 1.00 . D A . 71 HEC O2A 1 1 29 35438 4 2 1 HEC O2D O 6.736 -1.972 4.514 1.00 . D A . 71 HEC O2D 1 1 30 35439 1 1 1 ALA C C 7.587 4.316 -9.282 1.00 . A A . 1 ALA C 1 1 30 35440 1 1 1 ALA CA C 7.902 5.514 -8.373 1.00 . A A . 1 ALA CA 1 1 30 35441 1 1 1 ALA CB C 9.241 5.391 -7.633 1.00 . A A . 1 ALA CB 1 1 30 35442 1 1 1 ALA H1 H 6.708 4.913 -6.846 1.00 . A A . 1 ALA H1 1 1 30 35443 1 1 1 ALA H2 H 6.915 6.514 -6.800 1.00 . A A . 1 ALA H2 1 1 30 35444 1 1 1 ALA H3 H 5.924 5.846 -7.931 1.00 . A A . 1 ALA H3 1 1 30 35445 1 1 1 ALA HA H 7.966 6.396 -9.012 1.00 . A A . 1 ALA HA 1 1 30 35446 1 1 1 ALA HB1 H 10.046 5.216 -8.348 1.00 . A A . 1 ALA HB1 1 1 30 35447 1 1 1 ALA HB2 H 9.450 6.318 -7.098 1.00 . A A . 1 ALA HB2 1 1 30 35448 1 1 1 ALA HB3 H 9.218 4.572 -6.913 1.00 . A A . 1 ALA HB3 1 1 30 35449 1 1 1 ALA N N 6.792 5.728 -7.428 1.00 . A A . 1 ALA N 1 1 30 35450 1 1 1 ALA O O 6.745 4.457 -10.163 1.00 . A A . 1 ALA O 1 1 30 35451 1 1 2 ASP C C 7.834 0.733 -9.020 1.00 . A A . 2 ASP C 1 1 30 35452 1 1 2 ASP CA C 8.299 1.946 -9.835 1.00 . A A . 2 ASP CA 1 1 30 35453 1 1 2 ASP CB C 9.722 1.785 -10.388 1.00 . A A . 2 ASP CB 1 1 30 35454 1 1 2 ASP CG C 10.832 2.072 -9.378 1.00 . A A . 2 ASP CG 1 1 30 35455 1 1 2 ASP H H 8.941 3.131 -8.335 1.00 . A A . 2 ASP H 1 1 30 35456 1 1 2 ASP HA H 7.675 2.004 -10.703 1.00 . A A . 2 ASP HA 1 1 30 35457 1 1 2 ASP HB2 H 9.839 0.776 -10.781 1.00 . A A . 2 ASP HB2 1 1 30 35458 1 1 2 ASP HB3 H 9.829 2.489 -11.212 1.00 . A A . 2 ASP HB3 1 1 30 35459 1 1 2 ASP N N 8.227 3.167 -9.047 1.00 . A A . 2 ASP N 1 1 30 35460 1 1 2 ASP O O 6.720 0.254 -9.217 1.00 . A A . 2 ASP O 1 1 30 35461 1 1 2 ASP OD1 O 10.489 2.181 -8.176 1.00 . A A . 2 ASP OD1 1 1 30 35462 1 1 2 ASP OD2 O 11.983 2.222 -9.833 1.00 . A A . 2 ASP OD2 1 1 30 35463 1 1 3 VAL C C 9.279 -0.815 -6.028 1.00 . A A . 3 VAL C 1 1 30 35464 1 1 3 VAL CA C 8.338 -0.882 -7.226 1.00 . A A . 3 VAL CA 1 1 30 35465 1 1 3 VAL CB C 8.395 -2.226 -7.980 1.00 . A A . 3 VAL CB 1 1 30 35466 1 1 3 VAL CG1 C 9.741 -2.495 -8.665 1.00 . A A . 3 VAL CG1 1 1 30 35467 1 1 3 VAL CG2 C 8.049 -3.389 -7.039 1.00 . A A . 3 VAL CG2 1 1 30 35468 1 1 3 VAL H H 9.539 0.734 -7.938 1.00 . A A . 3 VAL H 1 1 30 35469 1 1 3 VAL HA H 7.317 -0.773 -6.866 1.00 . A A . 3 VAL HA 1 1 30 35470 1 1 3 VAL HB H 7.630 -2.205 -8.758 1.00 . A A . 3 VAL HB 1 1 30 35471 1 1 3 VAL HG11 H 9.678 -3.426 -9.227 1.00 . A A . 3 VAL HG11 1 1 30 35472 1 1 3 VAL HG12 H 9.983 -1.688 -9.356 1.00 . A A . 3 VAL HG12 1 1 30 35473 1 1 3 VAL HG13 H 10.538 -2.588 -7.927 1.00 . A A . 3 VAL HG13 1 1 30 35474 1 1 3 VAL HG21 H 7.101 -3.195 -6.534 1.00 . A A . 3 VAL HG21 1 1 30 35475 1 1 3 VAL HG22 H 7.952 -4.310 -7.615 1.00 . A A . 3 VAL HG22 1 1 30 35476 1 1 3 VAL HG23 H 8.829 -3.524 -6.290 1.00 . A A . 3 VAL HG23 1 1 30 35477 1 1 3 VAL N N 8.654 0.242 -8.095 1.00 . A A . 3 VAL N 1 1 30 35478 1 1 3 VAL O O 10.485 -0.663 -6.200 1.00 . A A . 3 VAL O 1 1 30 35479 1 1 4 VAL C C 8.930 -2.130 -2.782 1.00 . A A . 4 VAL C 1 1 30 35480 1 1 4 VAL CA C 9.515 -0.992 -3.595 1.00 . A A . 4 VAL CA 1 1 30 35481 1 1 4 VAL CB C 9.514 0.343 -2.825 1.00 . A A . 4 VAL CB 1 1 30 35482 1 1 4 VAL CG1 C 10.202 0.270 -1.446 1.00 . A A . 4 VAL CG1 1 1 30 35483 1 1 4 VAL CG2 C 10.255 1.411 -3.622 1.00 . A A . 4 VAL CG2 1 1 30 35484 1 1 4 VAL H H 7.738 -1.099 -4.720 1.00 . A A . 4 VAL H 1 1 30 35485 1 1 4 VAL HA H 10.548 -1.255 -3.806 1.00 . A A . 4 VAL HA 1 1 30 35486 1 1 4 VAL HB H 8.486 0.673 -2.711 1.00 . A A . 4 VAL HB 1 1 30 35487 1 1 4 VAL HG11 H 11.204 -0.151 -1.546 1.00 . A A . 4 VAL HG11 1 1 30 35488 1 1 4 VAL HG12 H 10.281 1.268 -1.015 1.00 . A A . 4 VAL HG12 1 1 30 35489 1 1 4 VAL HG13 H 9.645 -0.342 -0.740 1.00 . A A . 4 VAL HG13 1 1 30 35490 1 1 4 VAL HG21 H 11.292 1.104 -3.745 1.00 . A A . 4 VAL HG21 1 1 30 35491 1 1 4 VAL HG22 H 9.794 1.549 -4.598 1.00 . A A . 4 VAL HG22 1 1 30 35492 1 1 4 VAL HG23 H 10.216 2.351 -3.072 1.00 . A A . 4 VAL HG23 1 1 30 35493 1 1 4 VAL N N 8.730 -0.898 -4.815 1.00 . A A . 4 VAL N 1 1 30 35494 1 1 4 VAL O O 7.816 -2.597 -3.041 1.00 . A A . 4 VAL O 1 1 30 35495 1 1 5 THR C C 9.640 -2.821 0.623 1.00 . A A . 5 THR C 1 1 30 35496 1 1 5 THR CA C 9.198 -3.376 -0.723 1.00 . A A . 5 THR CA 1 1 30 35497 1 1 5 THR CB C 9.672 -4.825 -0.929 1.00 . A A . 5 THR CB 1 1 30 35498 1 1 5 THR CG2 C 11.116 -4.934 -1.440 1.00 . A A . 5 THR CG2 1 1 30 35499 1 1 5 THR H H 10.631 -2.212 -1.662 1.00 . A A . 5 THR H 1 1 30 35500 1 1 5 THR HA H 8.119 -3.251 -0.746 1.00 . A A . 5 THR HA 1 1 30 35501 1 1 5 THR HB H 9.031 -5.284 -1.674 1.00 . A A . 5 THR HB 1 1 30 35502 1 1 5 THR HG1 H 10.267 -5.140 0.866 1.00 . A A . 5 THR HG1 1 1 30 35503 1 1 5 THR HG21 H 11.800 -4.377 -0.798 1.00 . A A . 5 THR HG21 1 1 30 35504 1 1 5 THR HG22 H 11.419 -5.981 -1.445 1.00 . A A . 5 THR HG22 1 1 30 35505 1 1 5 THR HG23 H 11.193 -4.556 -2.460 1.00 . A A . 5 THR HG23 1 1 30 35506 1 1 5 THR N N 9.699 -2.568 -1.791 1.00 . A A . 5 THR N 1 1 30 35507 1 1 5 THR O O 10.788 -2.417 0.792 1.00 . A A . 5 THR O 1 1 30 35508 1 1 5 THR OG1 O 9.607 -5.534 0.286 1.00 . A A . 5 THR OG1 1 1 30 35509 1 1 6 TYR C C 9.602 -4.229 3.382 1.00 . A A . 6 TYR C 1 1 30 35510 1 1 6 TYR CA C 9.085 -2.837 3.000 1.00 . A A . 6 TYR CA 1 1 30 35511 1 1 6 TYR CB C 7.902 -2.405 3.874 1.00 . A A . 6 TYR CB 1 1 30 35512 1 1 6 TYR CD1 C 7.371 -0.006 3.180 1.00 . A A . 6 TYR CD1 1 1 30 35513 1 1 6 TYR CD2 C 5.798 -1.779 2.660 1.00 . A A . 6 TYR CD2 1 1 30 35514 1 1 6 TYR CE1 C 6.540 0.910 2.511 1.00 . A A . 6 TYR CE1 1 1 30 35515 1 1 6 TYR CE2 C 4.957 -0.866 2.016 1.00 . A A . 6 TYR CE2 1 1 30 35516 1 1 6 TYR CG C 6.996 -1.360 3.253 1.00 . A A . 6 TYR CG 1 1 30 35517 1 1 6 TYR CZ C 5.319 0.485 1.959 1.00 . A A . 6 TYR CZ 1 1 30 35518 1 1 6 TYR H H 7.814 -3.220 1.319 1.00 . A A . 6 TYR H 1 1 30 35519 1 1 6 TYR HA H 9.867 -2.094 3.142 1.00 . A A . 6 TYR HA 1 1 30 35520 1 1 6 TYR HB2 H 7.295 -3.281 4.100 1.00 . A A . 6 TYR HB2 1 1 30 35521 1 1 6 TYR HB3 H 8.285 -2.028 4.823 1.00 . A A . 6 TYR HB3 1 1 30 35522 1 1 6 TYR HD1 H 8.317 0.322 3.588 1.00 . A A . 6 TYR HD1 1 1 30 35523 1 1 6 TYR HD2 H 5.529 -2.814 2.689 1.00 . A A . 6 TYR HD2 1 1 30 35524 1 1 6 TYR HE1 H 6.887 1.919 2.350 1.00 . A A . 6 TYR HE1 1 1 30 35525 1 1 6 TYR HE2 H 4.092 -1.223 1.482 1.00 . A A . 6 TYR HE2 1 1 30 35526 1 1 6 TYR HH H 4.523 0.924 0.271 1.00 . A A . 6 TYR HH 1 1 30 35527 1 1 6 TYR N N 8.727 -2.879 1.590 1.00 . A A . 6 TYR N 1 1 30 35528 1 1 6 TYR O O 8.820 -5.163 3.588 1.00 . A A . 6 TYR O 1 1 30 35529 1 1 6 TYR OH O 4.600 1.308 1.151 1.00 . A A . 6 TYR OH 1 1 30 35530 1 1 7 GLU C C 11.458 -5.947 5.254 1.00 . A A . 7 GLU C 1 1 30 35531 1 1 7 GLU CA C 11.538 -5.675 3.750 1.00 . A A . 7 GLU CA 1 1 30 35532 1 1 7 GLU CB C 12.961 -5.752 3.240 1.00 . A A . 7 GLU CB 1 1 30 35533 1 1 7 GLU CD C 14.479 -5.652 1.208 1.00 . A A . 7 GLU CD 1 1 30 35534 1 1 7 GLU CG C 13.054 -5.502 1.727 1.00 . A A . 7 GLU CG 1 1 30 35535 1 1 7 GLU H H 11.533 -3.626 3.183 1.00 . A A . 7 GLU H 1 1 30 35536 1 1 7 GLU HA H 11.007 -6.459 3.218 1.00 . A A . 7 GLU HA 1 1 30 35537 1 1 7 GLU HB2 H 13.546 -5.027 3.787 1.00 . A A . 7 GLU HB2 1 1 30 35538 1 1 7 GLU HB3 H 13.319 -6.754 3.477 1.00 . A A . 7 GLU HB3 1 1 30 35539 1 1 7 GLU HG2 H 12.431 -6.221 1.197 1.00 . A A . 7 GLU HG2 1 1 30 35540 1 1 7 GLU HG3 H 12.719 -4.492 1.492 1.00 . A A . 7 GLU HG3 1 1 30 35541 1 1 7 GLU N N 10.926 -4.397 3.420 1.00 . A A . 7 GLU N 1 1 30 35542 1 1 7 GLU O O 12.408 -5.766 6.012 1.00 . A A . 7 GLU O 1 1 30 35543 1 1 7 GLU OE1 O 15.239 -6.425 1.831 1.00 . A A . 7 GLU OE1 1 1 30 35544 1 1 7 GLU OE2 O 14.776 -4.991 0.191 1.00 . A A . 7 GLU OE2 1 1 30 35545 1 1 8 ASN C C 10.376 -8.172 7.332 1.00 . A A . 8 ASN C 1 1 30 35546 1 1 8 ASN CA C 9.884 -6.763 6.999 1.00 . A A . 8 ASN CA 1 1 30 35547 1 1 8 ASN CB C 8.361 -6.666 7.087 1.00 . A A . 8 ASN CB 1 1 30 35548 1 1 8 ASN CG C 7.676 -7.622 6.118 1.00 . A A . 8 ASN CG 1 1 30 35549 1 1 8 ASN H H 9.602 -6.448 4.903 1.00 . A A . 8 ASN H 1 1 30 35550 1 1 8 ASN HA H 10.322 -6.061 7.710 1.00 . A A . 8 ASN HA 1 1 30 35551 1 1 8 ASN HB2 H 8.032 -6.868 8.098 1.00 . A A . 8 ASN HB2 1 1 30 35552 1 1 8 ASN HB3 H 8.105 -5.642 6.836 1.00 . A A . 8 ASN HB3 1 1 30 35553 1 1 8 ASN HD21 H 6.405 -6.195 5.483 1.00 . A A . 8 ASN HD21 1 1 30 35554 1 1 8 ASN HD22 H 6.497 -7.635 4.460 1.00 . A A . 8 ASN HD22 1 1 30 35555 1 1 8 ASN N N 10.277 -6.392 5.648 1.00 . A A . 8 ASN N 1 1 30 35556 1 1 8 ASN ND2 N 6.744 -7.154 5.307 1.00 . A A . 8 ASN ND2 1 1 30 35557 1 1 8 ASN O O 11.042 -8.802 6.507 1.00 . A A . 8 ASN O 1 1 30 35558 1 1 8 ASN OD1 O 8.025 -8.789 6.026 1.00 . A A . 8 ASN OD1 1 1 30 35559 1 1 9 LYS C C 9.360 -11.049 8.501 1.00 . A A . 9 LYS C 1 1 30 35560 1 1 9 LYS CA C 10.408 -10.021 8.935 1.00 . A A . 9 LYS CA 1 1 30 35561 1 1 9 LYS CB C 10.632 -10.050 10.457 1.00 . A A . 9 LYS CB 1 1 30 35562 1 1 9 LYS CD C 11.157 -12.033 12.011 1.00 . A A . 9 LYS CD 1 1 30 35563 1 1 9 LYS CE C 10.129 -13.051 11.491 1.00 . A A . 9 LYS CE 1 1 30 35564 1 1 9 LYS CG C 11.653 -11.122 10.879 1.00 . A A . 9 LYS CG 1 1 30 35565 1 1 9 LYS H H 9.311 -8.237 9.102 1.00 . A A . 9 LYS H 1 1 30 35566 1 1 9 LYS HA H 11.349 -10.244 8.430 1.00 . A A . 9 LYS HA 1 1 30 35567 1 1 9 LYS HB2 H 11.029 -9.082 10.771 1.00 . A A . 9 LYS HB2 1 1 30 35568 1 1 9 LYS HB3 H 9.677 -10.191 10.963 1.00 . A A . 9 LYS HB3 1 1 30 35569 1 1 9 LYS HD2 H 12.026 -12.563 12.406 1.00 . A A . 9 LYS HD2 1 1 30 35570 1 1 9 LYS HD3 H 10.735 -11.418 12.809 1.00 . A A . 9 LYS HD3 1 1 30 35571 1 1 9 LYS HE2 H 9.219 -12.528 11.190 1.00 . A A . 9 LYS HE2 1 1 30 35572 1 1 9 LYS HE3 H 10.536 -13.553 10.611 1.00 . A A . 9 LYS HE3 1 1 30 35573 1 1 9 LYS HG2 H 11.947 -11.737 10.025 1.00 . A A . 9 LYS HG2 1 1 30 35574 1 1 9 LYS HG3 H 12.550 -10.603 11.226 1.00 . A A . 9 LYS HG3 1 1 30 35575 1 1 9 LYS HZ1 H 9.134 -14.733 12.126 1.00 . A A . 9 LYS HZ1 1 1 30 35576 1 1 9 LYS HZ2 H 10.640 -14.589 12.759 1.00 . A A . 9 LYS HZ2 1 1 30 35577 1 1 9 LYS HZ3 H 9.419 -13.651 13.334 1.00 . A A . 9 LYS HZ3 1 1 30 35578 1 1 9 LYS N N 10.016 -8.689 8.513 1.00 . A A . 9 LYS N 1 1 30 35579 1 1 9 LYS NZ N 9.805 -14.078 12.504 1.00 . A A . 9 LYS NZ 1 1 30 35580 1 1 9 LYS O O 9.701 -12.221 8.338 1.00 . A A . 9 LYS O 1 1 30 35581 1 1 10 LYS C C 7.495 -12.176 6.541 1.00 . A A . 10 LYS C 1 1 30 35582 1 1 10 LYS CA C 7.024 -11.502 7.835 1.00 . A A . 10 LYS CA 1 1 30 35583 1 1 10 LYS CB C 5.700 -10.747 7.592 1.00 . A A . 10 LYS CB 1 1 30 35584 1 1 10 LYS CD C 4.676 -10.675 9.985 1.00 . A A . 10 LYS CD 1 1 30 35585 1 1 10 LYS CE C 5.834 -11.250 10.819 1.00 . A A . 10 LYS CE 1 1 30 35586 1 1 10 LYS CG C 5.108 -9.902 8.730 1.00 . A A . 10 LYS CG 1 1 30 35587 1 1 10 LYS H H 7.873 -9.696 8.695 1.00 . A A . 10 LYS H 1 1 30 35588 1 1 10 LYS HA H 6.841 -12.299 8.555 1.00 . A A . 10 LYS HA 1 1 30 35589 1 1 10 LYS HB2 H 5.844 -10.062 6.760 1.00 . A A . 10 LYS HB2 1 1 30 35590 1 1 10 LYS HB3 H 4.949 -11.479 7.287 1.00 . A A . 10 LYS HB3 1 1 30 35591 1 1 10 LYS HD2 H 4.099 -9.979 10.589 1.00 . A A . 10 LYS HD2 1 1 30 35592 1 1 10 LYS HD3 H 4.007 -11.480 9.677 1.00 . A A . 10 LYS HD3 1 1 30 35593 1 1 10 LYS HE2 H 5.766 -12.338 10.815 1.00 . A A . 10 LYS HE2 1 1 30 35594 1 1 10 LYS HE3 H 6.784 -10.939 10.403 1.00 . A A . 10 LYS HE3 1 1 30 35595 1 1 10 LYS HG2 H 5.777 -9.081 8.961 1.00 . A A . 10 LYS HG2 1 1 30 35596 1 1 10 LYS HG3 H 4.204 -9.426 8.341 1.00 . A A . 10 LYS HG3 1 1 30 35597 1 1 10 LYS HZ1 H 4.983 -10.915 12.680 1.00 . A A . 10 LYS HZ1 1 1 30 35598 1 1 10 LYS HZ2 H 6.615 -11.168 12.722 1.00 . A A . 10 LYS HZ2 1 1 30 35599 1 1 10 LYS HZ3 H 6.052 -9.754 12.174 1.00 . A A . 10 LYS HZ3 1 1 30 35600 1 1 10 LYS N N 8.090 -10.639 8.353 1.00 . A A . 10 LYS N 1 1 30 35601 1 1 10 LYS NZ N 5.856 -10.754 12.206 1.00 . A A . 10 LYS NZ 1 1 30 35602 1 1 10 LYS O O 7.761 -13.378 6.526 1.00 . A A . 10 LYS O 1 1 30 35603 1 1 11 GLY C C 8.284 -10.841 3.123 1.00 . A A . 11 GLY C 1 1 30 35604 1 1 11 GLY CA C 8.244 -11.888 4.232 1.00 . A A . 11 GLY CA 1 1 30 35605 1 1 11 GLY H H 7.411 -10.414 5.571 1.00 . A A . 11 GLY H 1 1 30 35606 1 1 11 GLY HA2 H 9.270 -12.188 4.446 1.00 . A A . 11 GLY HA2 1 1 30 35607 1 1 11 GLY HA3 H 7.698 -12.757 3.866 1.00 . A A . 11 GLY HA3 1 1 30 35608 1 1 11 GLY N N 7.630 -11.403 5.464 1.00 . A A . 11 GLY N 1 1 30 35609 1 1 11 GLY O O 8.051 -11.181 1.970 1.00 . A A . 11 GLY O 1 1 30 35610 1 1 12 ASN C C 7.531 -8.075 1.866 1.00 . A A . 12 ASN C 1 1 30 35611 1 1 12 ASN CA C 8.840 -8.475 2.563 1.00 . A A . 12 ASN CA 1 1 30 35612 1 1 12 ASN CB C 9.942 -8.780 1.538 1.00 . A A . 12 ASN CB 1 1 30 35613 1 1 12 ASN CG C 11.211 -9.431 2.095 1.00 . A A . 12 ASN CG 1 1 30 35614 1 1 12 ASN H H 8.774 -9.417 4.460 1.00 . A A . 12 ASN H 1 1 30 35615 1 1 12 ASN HA H 9.207 -7.638 3.159 1.00 . A A . 12 ASN HA 1 1 30 35616 1 1 12 ASN HB2 H 9.521 -9.425 0.772 1.00 . A A . 12 ASN HB2 1 1 30 35617 1 1 12 ASN HB3 H 10.235 -7.850 1.055 1.00 . A A . 12 ASN HB3 1 1 30 35618 1 1 12 ASN HD21 H 11.002 -8.657 3.996 1.00 . A A . 12 ASN HD21 1 1 30 35619 1 1 12 ASN HD22 H 12.430 -9.605 3.684 1.00 . A A . 12 ASN HD22 1 1 30 35620 1 1 12 ASN N N 8.614 -9.594 3.476 1.00 . A A . 12 ASN N 1 1 30 35621 1 1 12 ASN ND2 N 11.567 -9.198 3.359 1.00 . A A . 12 ASN ND2 1 1 30 35622 1 1 12 ASN O O 7.020 -8.796 1.012 1.00 . A A . 12 ASN O 1 1 30 35623 1 1 12 ASN OD1 O 11.883 -10.172 1.384 1.00 . A A . 12 ASN OD1 1 1 30 35624 1 1 13 VAL C C 6.123 -5.793 0.277 1.00 . A A . 13 VAL C 1 1 30 35625 1 1 13 VAL CA C 5.732 -6.462 1.585 1.00 . A A . 13 VAL CA 1 1 30 35626 1 1 13 VAL CB C 4.920 -5.519 2.489 1.00 . A A . 13 VAL CB 1 1 30 35627 1 1 13 VAL CG1 C 3.917 -4.661 1.699 1.00 . A A . 13 VAL CG1 1 1 30 35628 1 1 13 VAL CG2 C 4.097 -6.335 3.480 1.00 . A A . 13 VAL CG2 1 1 30 35629 1 1 13 VAL H H 7.482 -6.298 2.828 1.00 . A A . 13 VAL H 1 1 30 35630 1 1 13 VAL HA H 5.082 -7.307 1.357 1.00 . A A . 13 VAL HA 1 1 30 35631 1 1 13 VAL HB H 5.613 -4.898 3.052 1.00 . A A . 13 VAL HB 1 1 30 35632 1 1 13 VAL HG11 H 4.415 -3.910 1.087 1.00 . A A . 13 VAL HG11 1 1 30 35633 1 1 13 VAL HG12 H 3.317 -5.296 1.047 1.00 . A A . 13 VAL HG12 1 1 30 35634 1 1 13 VAL HG13 H 3.258 -4.144 2.393 1.00 . A A . 13 VAL HG13 1 1 30 35635 1 1 13 VAL HG21 H 3.194 -6.720 3.010 1.00 . A A . 13 VAL HG21 1 1 30 35636 1 1 13 VAL HG22 H 4.690 -7.176 3.810 1.00 . A A . 13 VAL HG22 1 1 30 35637 1 1 13 VAL HG23 H 3.822 -5.711 4.331 1.00 . A A . 13 VAL HG23 1 1 30 35638 1 1 13 VAL N N 6.951 -6.934 2.240 1.00 . A A . 13 VAL N 1 1 30 35639 1 1 13 VAL O O 6.614 -4.666 0.288 1.00 . A A . 13 VAL O 1 1 30 35640 1 1 14 THR C C 4.804 -4.836 -2.268 1.00 . A A . 14 THR C 1 1 30 35641 1 1 14 THR CA C 5.915 -5.879 -2.159 1.00 . A A . 14 THR CA 1 1 30 35642 1 1 14 THR CB C 5.831 -6.971 -3.245 1.00 . A A . 14 THR CB 1 1 30 35643 1 1 14 THR CG2 C 4.542 -7.804 -3.220 1.00 . A A . 14 THR CG2 1 1 30 35644 1 1 14 THR H H 5.425 -7.383 -0.740 1.00 . A A . 14 THR H 1 1 30 35645 1 1 14 THR HA H 6.875 -5.378 -2.273 1.00 . A A . 14 THR HA 1 1 30 35646 1 1 14 THR HB H 6.667 -7.653 -3.083 1.00 . A A . 14 THR HB 1 1 30 35647 1 1 14 THR HG1 H 5.149 -6.129 -4.893 1.00 . A A . 14 THR HG1 1 1 30 35648 1 1 14 THR HG21 H 4.603 -8.579 -3.985 1.00 . A A . 14 THR HG21 1 1 30 35649 1 1 14 THR HG22 H 4.406 -8.288 -2.254 1.00 . A A . 14 THR HG22 1 1 30 35650 1 1 14 THR HG23 H 3.673 -7.180 -3.431 1.00 . A A . 14 THR HG23 1 1 30 35651 1 1 14 THR N N 5.859 -6.476 -0.837 1.00 . A A . 14 THR N 1 1 30 35652 1 1 14 THR O O 3.670 -5.091 -1.861 1.00 . A A . 14 THR O 1 1 30 35653 1 1 14 THR OG1 O 6.000 -6.409 -4.533 1.00 . A A . 14 THR OG1 1 1 30 35654 1 1 15 PHE C C 4.530 -2.212 -4.655 1.00 . A A . 15 PHE C 1 1 30 35655 1 1 15 PHE CA C 4.107 -2.738 -3.290 1.00 . A A . 15 PHE CA 1 1 30 35656 1 1 15 PHE CB C 3.784 -1.638 -2.272 1.00 . A A . 15 PHE CB 1 1 30 35657 1 1 15 PHE CD1 C 5.920 -1.137 -1.042 1.00 . A A . 15 PHE CD1 1 1 30 35658 1 1 15 PHE CD2 C 4.870 0.651 -2.322 1.00 . A A . 15 PHE CD2 1 1 30 35659 1 1 15 PHE CE1 C 6.871 -0.229 -0.558 1.00 . A A . 15 PHE CE1 1 1 30 35660 1 1 15 PHE CE2 C 5.805 1.567 -1.813 1.00 . A A . 15 PHE CE2 1 1 30 35661 1 1 15 PHE CG C 4.907 -0.695 -1.908 1.00 . A A . 15 PHE CG 1 1 30 35662 1 1 15 PHE CZ C 6.775 1.131 -0.892 1.00 . A A . 15 PHE CZ 1 1 30 35663 1 1 15 PHE H H 6.084 -3.442 -3.046 1.00 . A A . 15 PHE H 1 1 30 35664 1 1 15 PHE HA H 3.172 -3.286 -3.433 1.00 . A A . 15 PHE HA 1 1 30 35665 1 1 15 PHE HB2 H 2.943 -1.060 -2.655 1.00 . A A . 15 PHE HB2 1 1 30 35666 1 1 15 PHE HB3 H 3.458 -2.121 -1.354 1.00 . A A . 15 PHE HB3 1 1 30 35667 1 1 15 PHE HD1 H 5.944 -2.164 -0.708 1.00 . A A . 15 PHE HD1 1 1 30 35668 1 1 15 PHE HD2 H 4.119 0.990 -3.020 1.00 . A A . 15 PHE HD2 1 1 30 35669 1 1 15 PHE HE1 H 7.589 -0.553 0.181 1.00 . A A . 15 PHE HE1 1 1 30 35670 1 1 15 PHE HE2 H 5.761 2.606 -2.108 1.00 . A A . 15 PHE HE2 1 1 30 35671 1 1 15 PHE HZ H 7.441 1.830 -0.418 1.00 . A A . 15 PHE HZ 1 1 30 35672 1 1 15 PHE N N 5.119 -3.659 -2.812 1.00 . A A . 15 PHE N 1 1 30 35673 1 1 15 PHE O O 5.481 -1.438 -4.793 1.00 . A A . 15 PHE O 1 1 30 35674 1 1 16 ASP C C 3.479 -0.755 -7.104 1.00 . A A . 16 ASP C 1 1 30 35675 1 1 16 ASP CA C 3.882 -2.230 -7.047 1.00 . A A . 16 ASP CA 1 1 30 35676 1 1 16 ASP CB C 3.005 -3.148 -7.905 1.00 . A A . 16 ASP CB 1 1 30 35677 1 1 16 ASP CG C 3.387 -4.613 -7.726 1.00 . A A . 16 ASP CG 1 1 30 35678 1 1 16 ASP H H 3.243 -3.510 -5.538 1.00 . A A . 16 ASP H 1 1 30 35679 1 1 16 ASP HA H 4.909 -2.338 -7.397 1.00 . A A . 16 ASP HA 1 1 30 35680 1 1 16 ASP HB2 H 1.957 -3.038 -7.628 1.00 . A A . 16 ASP HB2 1 1 30 35681 1 1 16 ASP HB3 H 3.137 -2.881 -8.952 1.00 . A A . 16 ASP HB3 1 1 30 35682 1 1 16 ASP N N 3.805 -2.670 -5.673 1.00 . A A . 16 ASP N 1 1 30 35683 1 1 16 ASP O O 2.336 -0.387 -7.392 1.00 . A A . 16 ASP O 1 1 30 35684 1 1 16 ASP OD1 O 3.220 -5.095 -6.580 1.00 . A A . 16 ASP OD1 1 1 30 35685 1 1 16 ASP OD2 O 3.855 -5.204 -8.721 1.00 . A A . 16 ASP OD2 1 1 30 35686 1 1 17 HIS C C 3.744 2.064 -7.957 1.00 . A A . 17 HIS C 1 1 30 35687 1 1 17 HIS CA C 4.418 1.518 -6.699 1.00 . A A . 17 HIS CA 1 1 30 35688 1 1 17 HIS CB C 5.876 2.017 -6.587 1.00 . A A . 17 HIS CB 1 1 30 35689 1 1 17 HIS CD2 C 5.240 4.135 -5.377 1.00 . A A . 17 HIS CD2 1 1 30 35690 1 1 17 HIS CE1 C 7.122 4.598 -4.357 1.00 . A A . 17 HIS CE1 1 1 30 35691 1 1 17 HIS CG C 6.094 3.094 -5.573 1.00 . A A . 17 HIS CG 1 1 30 35692 1 1 17 HIS H H 5.277 -0.381 -6.365 1.00 . A A . 17 HIS H 1 1 30 35693 1 1 17 HIS HA H 3.841 1.794 -5.816 1.00 . A A . 17 HIS HA 1 1 30 35694 1 1 17 HIS HB2 H 6.561 1.209 -6.350 1.00 . A A . 17 HIS HB2 1 1 30 35695 1 1 17 HIS HB3 H 6.199 2.428 -7.538 1.00 . A A . 17 HIS HB3 1 1 30 35696 1 1 17 HIS HD1 H 8.100 2.805 -4.883 1.00 . A A . 17 HIS HD1 1 1 30 35697 1 1 17 HIS HD2 H 4.270 4.227 -5.832 1.00 . A A . 17 HIS HD2 1 1 30 35698 1 1 17 HIS HE1 H 7.875 5.099 -3.769 1.00 . A A . 17 HIS HE1 1 1 30 35699 1 1 17 HIS N N 4.461 0.073 -6.758 1.00 . A A . 17 HIS N 1 1 30 35700 1 1 17 HIS ND1 N 7.273 3.388 -4.927 1.00 . A A . 17 HIS ND1 1 1 30 35701 1 1 17 HIS NE2 N 5.908 5.103 -4.631 1.00 . A A . 17 HIS NE2 1 1 30 35702 1 1 17 HIS O O 2.732 2.764 -7.907 1.00 . A A . 17 HIS O 1 1 30 35703 1 1 18 LYS C C 2.570 1.696 -10.760 1.00 . A A . 18 LYS C 1 1 30 35704 1 1 18 LYS CA C 3.948 2.212 -10.399 1.00 . A A . 18 LYS CA 1 1 30 35705 1 1 18 LYS CB C 5.011 1.803 -11.410 1.00 . A A . 18 LYS CB 1 1 30 35706 1 1 18 LYS CD C 5.844 1.947 -13.718 1.00 . A A . 18 LYS CD 1 1 30 35707 1 1 18 LYS CE C 5.450 2.092 -15.194 1.00 . A A . 18 LYS CE 1 1 30 35708 1 1 18 LYS CG C 4.588 2.023 -12.848 1.00 . A A . 18 LYS CG 1 1 30 35709 1 1 18 LYS H H 5.147 1.116 -9.045 1.00 . A A . 18 LYS H 1 1 30 35710 1 1 18 LYS HA H 3.921 3.300 -10.365 1.00 . A A . 18 LYS HA 1 1 30 35711 1 1 18 LYS HB2 H 5.832 2.484 -11.240 1.00 . A A . 18 LYS HB2 1 1 30 35712 1 1 18 LYS HB3 H 5.336 0.771 -11.274 1.00 . A A . 18 LYS HB3 1 1 30 35713 1 1 18 LYS HD2 H 6.534 2.737 -13.400 1.00 . A A . 18 LYS HD2 1 1 30 35714 1 1 18 LYS HD3 H 6.318 0.982 -13.528 1.00 . A A . 18 LYS HD3 1 1 30 35715 1 1 18 LYS HE2 H 4.742 1.302 -15.457 1.00 . A A . 18 LYS HE2 1 1 30 35716 1 1 18 LYS HE3 H 4.955 3.054 -15.343 1.00 . A A . 18 LYS HE3 1 1 30 35717 1 1 18 LYS HG2 H 3.865 1.263 -13.143 1.00 . A A . 18 LYS HG2 1 1 30 35718 1 1 18 LYS HG3 H 4.133 3.008 -12.893 1.00 . A A . 18 LYS HG3 1 1 30 35719 1 1 18 LYS HZ1 H 7.085 1.116 -15.972 1.00 . A A . 18 LYS HZ1 1 1 30 35720 1 1 18 LYS HZ2 H 6.313 2.086 -17.052 1.00 . A A . 18 LYS HZ2 1 1 30 35721 1 1 18 LYS HZ3 H 7.271 2.752 -15.891 1.00 . A A . 18 LYS HZ3 1 1 30 35722 1 1 18 LYS N N 4.341 1.729 -9.097 1.00 . A A . 18 LYS N 1 1 30 35723 1 1 18 LYS NZ N 6.620 2.005 -16.092 1.00 . A A . 18 LYS NZ 1 1 30 35724 1 1 18 LYS O O 1.717 2.469 -11.156 1.00 . A A . 18 LYS O 1 1 30 35725 1 1 19 ALA C C -0.077 0.643 -10.118 1.00 . A A . 19 ALA C 1 1 30 35726 1 1 19 ALA CA C 1.012 -0.180 -10.816 1.00 . A A . 19 ALA CA 1 1 30 35727 1 1 19 ALA CB C 0.987 -1.589 -10.255 1.00 . A A . 19 ALA CB 1 1 30 35728 1 1 19 ALA H H 3.127 -0.184 -10.392 1.00 . A A . 19 ALA H 1 1 30 35729 1 1 19 ALA HA H 0.806 -0.227 -11.884 1.00 . A A . 19 ALA HA 1 1 30 35730 1 1 19 ALA HB1 H 1.145 -1.504 -9.184 1.00 . A A . 19 ALA HB1 1 1 30 35731 1 1 19 ALA HB2 H 0.011 -2.036 -10.435 1.00 . A A . 19 ALA HB2 1 1 30 35732 1 1 19 ALA HB3 H 1.769 -2.190 -10.715 1.00 . A A . 19 ALA HB3 1 1 30 35733 1 1 19 ALA N N 2.337 0.397 -10.623 1.00 . A A . 19 ALA N 1 1 30 35734 1 1 19 ALA O O -1.040 1.076 -10.747 1.00 . A A . 19 ALA O 1 1 30 35735 1 1 20 HIS C C -0.908 3.113 -8.795 1.00 . A A . 20 HIS C 1 1 30 35736 1 1 20 HIS CA C -0.905 1.728 -8.131 1.00 . A A . 20 HIS CA 1 1 30 35737 1 1 20 HIS CB C -0.602 1.788 -6.628 1.00 . A A . 20 HIS CB 1 1 30 35738 1 1 20 HIS CD2 C -1.958 0.282 -5.040 1.00 . A A . 20 HIS CD2 1 1 30 35739 1 1 20 HIS CE1 C -0.680 -1.487 -5.013 1.00 . A A . 20 HIS CE1 1 1 30 35740 1 1 20 HIS CG C -0.898 0.508 -5.884 1.00 . A A . 20 HIS CG 1 1 30 35741 1 1 20 HIS H H 0.896 0.564 -8.323 1.00 . A A . 20 HIS H 1 1 30 35742 1 1 20 HIS HA H -1.899 1.295 -8.252 1.00 . A A . 20 HIS HA 1 1 30 35743 1 1 20 HIS HB2 H 0.445 2.051 -6.476 1.00 . A A . 20 HIS HB2 1 1 30 35744 1 1 20 HIS HB3 H -1.222 2.566 -6.188 1.00 . A A . 20 HIS HB3 1 1 30 35745 1 1 20 HIS HD1 H 0.766 -0.741 -6.372 1.00 . A A . 20 HIS HD1 1 1 30 35746 1 1 20 HIS HD2 H -2.750 0.980 -4.824 1.00 . A A . 20 HIS HD2 1 1 30 35747 1 1 20 HIS HE1 H -0.274 -2.458 -4.783 1.00 . A A . 20 HIS HE1 1 1 30 35748 1 1 20 HIS N N 0.064 0.881 -8.813 1.00 . A A . 20 HIS N 1 1 30 35749 1 1 20 HIS ND1 N -0.101 -0.612 -5.858 1.00 . A A . 20 HIS ND1 1 1 30 35750 1 1 20 HIS NE2 N -1.815 -0.994 -4.481 1.00 . A A . 20 HIS NE2 1 1 30 35751 1 1 20 HIS O O -1.958 3.710 -9.034 1.00 . A A . 20 HIS O 1 1 30 35752 1 1 21 ALA C C -0.456 5.014 -11.077 1.00 . A A . 21 ALA C 1 1 30 35753 1 1 21 ALA CA C 0.402 4.906 -9.811 1.00 . A A . 21 ALA CA 1 1 30 35754 1 1 21 ALA CB C 1.858 5.278 -10.099 1.00 . A A . 21 ALA CB 1 1 30 35755 1 1 21 ALA H H 1.088 2.995 -9.046 1.00 . A A . 21 ALA H 1 1 30 35756 1 1 21 ALA HA H 0.029 5.646 -9.101 1.00 . A A . 21 ALA HA 1 1 30 35757 1 1 21 ALA HB1 H 2.260 4.721 -10.937 1.00 . A A . 21 ALA HB1 1 1 30 35758 1 1 21 ALA HB2 H 1.891 6.323 -10.390 1.00 . A A . 21 ALA HB2 1 1 30 35759 1 1 21 ALA HB3 H 2.474 5.118 -9.213 1.00 . A A . 21 ALA HB3 1 1 30 35760 1 1 21 ALA N N 0.278 3.608 -9.151 1.00 . A A . 21 ALA N 1 1 30 35761 1 1 21 ALA O O -1.186 5.989 -11.206 1.00 . A A . 21 ALA O 1 1 30 35762 1 1 22 GLU C C -2.639 3.836 -12.918 1.00 . A A . 22 GLU C 1 1 30 35763 1 1 22 GLU CA C -1.166 4.054 -13.235 1.00 . A A . 22 GLU CA 1 1 30 35764 1 1 22 GLU CB C -0.696 3.031 -14.298 1.00 . A A . 22 GLU CB 1 1 30 35765 1 1 22 GLU CD C 0.351 0.756 -14.794 1.00 . A A . 22 GLU CD 1 1 30 35766 1 1 22 GLU CG C 0.076 1.830 -13.755 1.00 . A A . 22 GLU CG 1 1 30 35767 1 1 22 GLU H H 0.193 3.247 -11.785 1.00 . A A . 22 GLU H 1 1 30 35768 1 1 22 GLU HA H -1.083 5.044 -13.688 1.00 . A A . 22 GLU HA 1 1 30 35769 1 1 22 GLU HB2 H -1.576 2.643 -14.821 1.00 . A A . 22 GLU HB2 1 1 30 35770 1 1 22 GLU HB3 H -0.059 3.532 -15.027 1.00 . A A . 22 GLU HB3 1 1 30 35771 1 1 22 GLU HG2 H 1.032 2.166 -13.376 1.00 . A A . 22 GLU HG2 1 1 30 35772 1 1 22 GLU HG3 H -0.504 1.376 -12.969 1.00 . A A . 22 GLU HG3 1 1 30 35773 1 1 22 GLU N N -0.381 4.048 -12.001 1.00 . A A . 22 GLU N 1 1 30 35774 1 1 22 GLU O O -3.481 4.576 -13.420 1.00 . A A . 22 GLU O 1 1 30 35775 1 1 22 GLU OE1 O 1.279 0.968 -15.603 1.00 . A A . 22 GLU OE1 1 1 30 35776 1 1 22 GLU OE2 O -0.346 -0.283 -14.719 1.00 . A A . 22 GLU OE2 1 1 30 35777 1 1 23 LYS C C -5.107 3.637 -11.288 1.00 . A A . 23 LYS C 1 1 30 35778 1 1 23 LYS CA C -4.353 2.457 -11.902 1.00 . A A . 23 LYS CA 1 1 30 35779 1 1 23 LYS CB C -4.513 1.172 -11.075 1.00 . A A . 23 LYS CB 1 1 30 35780 1 1 23 LYS CD C -3.011 -0.559 -12.192 1.00 . A A . 23 LYS CD 1 1 30 35781 1 1 23 LYS CE C -2.975 -1.868 -12.987 1.00 . A A . 23 LYS CE 1 1 30 35782 1 1 23 LYS CG C -4.445 -0.098 -11.939 1.00 . A A . 23 LYS CG 1 1 30 35783 1 1 23 LYS H H -2.216 2.234 -11.724 1.00 . A A . 23 LYS H 1 1 30 35784 1 1 23 LYS HA H -4.811 2.285 -12.876 1.00 . A A . 23 LYS HA 1 1 30 35785 1 1 23 LYS HB2 H -3.793 1.139 -10.256 1.00 . A A . 23 LYS HB2 1 1 30 35786 1 1 23 LYS HB3 H -5.511 1.196 -10.638 1.00 . A A . 23 LYS HB3 1 1 30 35787 1 1 23 LYS HD2 H -2.485 0.220 -12.743 1.00 . A A . 23 LYS HD2 1 1 30 35788 1 1 23 LYS HD3 H -2.541 -0.724 -11.224 1.00 . A A . 23 LYS HD3 1 1 30 35789 1 1 23 LYS HE2 H -3.344 -2.680 -12.359 1.00 . A A . 23 LYS HE2 1 1 30 35790 1 1 23 LYS HE3 H -3.619 -1.785 -13.863 1.00 . A A . 23 LYS HE3 1 1 30 35791 1 1 23 LYS HG2 H -4.975 -0.900 -11.419 1.00 . A A . 23 LYS HG2 1 1 30 35792 1 1 23 LYS HG3 H -4.934 0.080 -12.898 1.00 . A A . 23 LYS HG3 1 1 30 35793 1 1 23 LYS HZ1 H -0.991 -2.280 -12.631 1.00 . A A . 23 LYS HZ1 1 1 30 35794 1 1 23 LYS HZ2 H -1.598 -3.051 -13.952 1.00 . A A . 23 LYS HZ2 1 1 30 35795 1 1 23 LYS HZ3 H -1.238 -1.447 -14.019 1.00 . A A . 23 LYS HZ3 1 1 30 35796 1 1 23 LYS N N -2.957 2.800 -12.133 1.00 . A A . 23 LYS N 1 1 30 35797 1 1 23 LYS NZ N -1.605 -2.193 -13.426 1.00 . A A . 23 LYS NZ 1 1 30 35798 1 1 23 LYS O O -6.181 3.987 -11.774 1.00 . A A . 23 LYS O 1 1 30 35799 1 1 24 LEU C C -4.894 6.702 -10.328 1.00 . A A . 24 LEU C 1 1 30 35800 1 1 24 LEU CA C -5.221 5.388 -9.617 1.00 . A A . 24 LEU CA 1 1 30 35801 1 1 24 LEU CB C -4.772 5.475 -8.168 1.00 . A A . 24 LEU CB 1 1 30 35802 1 1 24 LEU CD1 C -6.499 3.671 -7.557 1.00 . A A . 24 LEU CD1 1 1 30 35803 1 1 24 LEU CD2 C -4.095 3.149 -7.196 1.00 . A A . 24 LEU CD2 1 1 30 35804 1 1 24 LEU CG C -5.129 4.272 -7.287 1.00 . A A . 24 LEU CG 1 1 30 35805 1 1 24 LEU H H -3.727 3.910 -9.772 1.00 . A A . 24 LEU H 1 1 30 35806 1 1 24 LEU HA H -6.305 5.268 -9.639 1.00 . A A . 24 LEU HA 1 1 30 35807 1 1 24 LEU HB2 H -3.694 5.639 -8.139 1.00 . A A . 24 LEU HB2 1 1 30 35808 1 1 24 LEU HB3 H -5.270 6.350 -7.744 1.00 . A A . 24 LEU HB3 1 1 30 35809 1 1 24 LEU HD11 H -6.490 3.161 -8.519 1.00 . A A . 24 LEU HD11 1 1 30 35810 1 1 24 LEU HD12 H -6.714 2.951 -6.770 1.00 . A A . 24 LEU HD12 1 1 30 35811 1 1 24 LEU HD13 H -7.246 4.463 -7.547 1.00 . A A . 24 LEU HD13 1 1 30 35812 1 1 24 LEU HD21 H -4.011 2.625 -8.145 1.00 . A A . 24 LEU HD21 1 1 30 35813 1 1 24 LEU HD22 H -3.142 3.578 -6.894 1.00 . A A . 24 LEU HD22 1 1 30 35814 1 1 24 LEU HD23 H -4.396 2.428 -6.435 1.00 . A A . 24 LEU HD23 1 1 30 35815 1 1 24 LEU HG H -5.167 4.707 -6.309 1.00 . A A . 24 LEU HG 1 1 30 35816 1 1 24 LEU N N -4.569 4.251 -10.231 1.00 . A A . 24 LEU N 1 1 30 35817 1 1 24 LEU O O -5.800 7.471 -10.639 1.00 . A A . 24 LEU O 1 1 30 35818 1 1 25 GLY C C -2.462 9.039 -9.742 1.00 . A A . 25 GLY C 1 1 30 35819 1 1 25 GLY CA C -3.129 8.307 -10.912 1.00 . A A . 25 GLY CA 1 1 30 35820 1 1 25 GLY H H -2.907 6.235 -10.488 1.00 . A A . 25 GLY H 1 1 30 35821 1 1 25 GLY HA2 H -2.391 8.204 -11.703 1.00 . A A . 25 GLY HA2 1 1 30 35822 1 1 25 GLY HA3 H -3.939 8.928 -11.296 1.00 . A A . 25 GLY HA3 1 1 30 35823 1 1 25 GLY N N -3.603 6.978 -10.544 1.00 . A A . 25 GLY N 1 1 30 35824 1 1 25 GLY O O -2.578 10.259 -9.642 1.00 . A A . 25 GLY O 1 1 30 35825 1 1 26 CYS C C -1.445 9.413 -6.636 1.00 . A A . 26 CYS C 1 1 30 35826 1 1 26 CYS CA C -0.759 8.873 -7.906 1.00 . A A . 26 CYS CA 1 1 30 35827 1 1 26 CYS CB C 0.135 9.923 -8.538 1.00 . A A . 26 CYS CB 1 1 30 35828 1 1 26 CYS H H -1.680 7.327 -9.062 1.00 . A A . 26 CYS H 1 1 30 35829 1 1 26 CYS HA H -0.137 8.039 -7.588 1.00 . A A . 26 CYS HA 1 1 30 35830 1 1 26 CYS HB2 H 0.227 9.755 -9.609 1.00 . A A . 26 CYS HB2 1 1 30 35831 1 1 26 CYS HB3 H -0.297 10.914 -8.392 1.00 . A A . 26 CYS HB3 1 1 30 35832 1 1 26 CYS N N -1.695 8.322 -8.904 1.00 . A A . 26 CYS N 1 1 30 35833 1 1 26 CYS O O -1.055 9.066 -5.512 1.00 . A A . 26 CYS O 1 1 30 35834 1 1 26 CYS SG S 1.799 9.917 -7.820 1.00 . A A . 26 CYS SG 1 1 30 35835 1 1 27 ASP C C -3.678 9.868 -4.737 1.00 . A A . 27 ASP C 1 1 30 35836 1 1 27 ASP CA C -3.390 10.831 -5.880 1.00 . A A . 27 ASP CA 1 1 30 35837 1 1 27 ASP CB C -4.692 11.218 -6.606 1.00 . A A . 27 ASP CB 1 1 30 35838 1 1 27 ASP CG C -5.466 10.042 -7.213 1.00 . A A . 27 ASP CG 1 1 30 35839 1 1 27 ASP H H -2.791 10.317 -7.801 1.00 . A A . 27 ASP H 1 1 30 35840 1 1 27 ASP HA H -2.934 11.734 -5.474 1.00 . A A . 27 ASP HA 1 1 30 35841 1 1 27 ASP HB2 H -5.339 11.713 -5.879 1.00 . A A . 27 ASP HB2 1 1 30 35842 1 1 27 ASP HB3 H -4.467 11.927 -7.401 1.00 . A A . 27 ASP HB3 1 1 30 35843 1 1 27 ASP N N -2.470 10.245 -6.846 1.00 . A A . 27 ASP N 1 1 30 35844 1 1 27 ASP O O -3.614 10.247 -3.570 1.00 . A A . 27 ASP O 1 1 30 35845 1 1 27 ASP OD1 O -4.806 9.045 -7.597 1.00 . A A . 27 ASP OD1 1 1 30 35846 1 1 27 ASP OD2 O -6.707 10.147 -7.260 1.00 . A A . 27 ASP OD2 1 1 30 35847 1 1 28 ALA C C -3.417 7.558 -2.936 1.00 . A A . 28 ALA C 1 1 30 35848 1 1 28 ALA CA C -4.070 7.422 -4.303 1.00 . A A . 28 ALA CA 1 1 30 35849 1 1 28 ALA CB C -3.377 6.277 -5.039 1.00 . A A . 28 ALA CB 1 1 30 35850 1 1 28 ALA H H -4.043 8.511 -6.129 1.00 . A A . 28 ALA H 1 1 30 35851 1 1 28 ALA HA H -5.133 7.223 -4.220 1.00 . A A . 28 ALA HA 1 1 30 35852 1 1 28 ALA HB1 H -2.301 6.421 -5.046 1.00 . A A . 28 ALA HB1 1 1 30 35853 1 1 28 ALA HB2 H -3.604 5.320 -4.570 1.00 . A A . 28 ALA HB2 1 1 30 35854 1 1 28 ALA HB3 H -3.702 6.287 -6.067 1.00 . A A . 28 ALA HB3 1 1 30 35855 1 1 28 ALA N N -3.933 8.615 -5.118 1.00 . A A . 28 ALA N 1 1 30 35856 1 1 28 ALA O O -4.028 7.289 -1.904 1.00 . A A . 28 ALA O 1 1 30 35857 1 1 29 CYS C C -0.559 9.339 -1.765 1.00 . A A . 29 CYS C 1 1 30 35858 1 1 29 CYS CA C -1.248 7.971 -1.841 1.00 . A A . 29 CYS CA 1 1 30 35859 1 1 29 CYS CB C -0.250 6.845 -1.940 1.00 . A A . 29 CYS CB 1 1 30 35860 1 1 29 CYS H H -1.762 8.092 -3.911 1.00 . A A . 29 CYS H 1 1 30 35861 1 1 29 CYS HA H -1.821 7.836 -0.921 1.00 . A A . 29 CYS HA 1 1 30 35862 1 1 29 CYS HB2 H 0.489 7.114 -2.693 1.00 . A A . 29 CYS HB2 1 1 30 35863 1 1 29 CYS HB3 H 0.240 6.724 -0.978 1.00 . A A . 29 CYS HB3 1 1 30 35864 1 1 29 CYS N N -2.133 7.910 -2.986 1.00 . A A . 29 CYS N 1 1 30 35865 1 1 29 CYS O O -0.277 9.820 -0.669 1.00 . A A . 29 CYS O 1 1 30 35866 1 1 29 CYS SG S -1.027 5.249 -2.375 1.00 . A A . 29 CYS SG 1 1 30 35867 1 1 30 HIS C C -0.418 12.315 -3.542 1.00 . A A . 30 HIS C 1 1 30 35868 1 1 30 HIS CA C 0.479 11.221 -2.972 1.00 . A A . 30 HIS CA 1 1 30 35869 1 1 30 HIS CB C 1.712 11.030 -3.852 1.00 . A A . 30 HIS CB 1 1 30 35870 1 1 30 HIS CD2 C 3.074 8.908 -4.049 1.00 . A A . 30 HIS CD2 1 1 30 35871 1 1 30 HIS CE1 C 4.368 9.063 -2.302 1.00 . A A . 30 HIS CE1 1 1 30 35872 1 1 30 HIS CG C 2.671 9.994 -3.347 1.00 . A A . 30 HIS CG 1 1 30 35873 1 1 30 HIS H H -0.564 9.598 -3.802 1.00 . A A . 30 HIS H 1 1 30 35874 1 1 30 HIS HA H 0.818 11.539 -1.985 1.00 . A A . 30 HIS HA 1 1 30 35875 1 1 30 HIS HB2 H 1.375 10.751 -4.853 1.00 . A A . 30 HIS HB2 1 1 30 35876 1 1 30 HIS HB3 H 2.226 11.984 -3.943 1.00 . A A . 30 HIS HB3 1 1 30 35877 1 1 30 HIS HD1 H 3.438 10.840 -1.586 1.00 . A A . 30 HIS HD1 1 1 30 35878 1 1 30 HIS HD2 H 2.646 8.597 -4.976 1.00 . A A . 30 HIS HD2 1 1 30 35879 1 1 30 HIS HE1 H 5.168 8.848 -1.611 1.00 . A A . 30 HIS HE1 1 1 30 35880 1 1 30 HIS N N -0.261 9.972 -2.909 1.00 . A A . 30 HIS N 1 1 30 35881 1 1 30 HIS ND1 N 3.482 10.084 -2.246 1.00 . A A . 30 HIS ND1 1 1 30 35882 1 1 30 HIS NE2 N 4.156 8.322 -3.398 1.00 . A A . 30 HIS NE2 1 1 30 35883 1 1 30 HIS O O -0.305 12.647 -4.719 1.00 . A A . 30 HIS O 1 1 30 35884 1 1 31 GLU C C -1.680 15.037 -3.848 1.00 . A A . 31 GLU C 1 1 30 35885 1 1 31 GLU CA C -2.269 13.888 -3.025 1.00 . A A . 31 GLU CA 1 1 30 35886 1 1 31 GLU CB C -2.875 14.431 -1.717 1.00 . A A . 31 GLU CB 1 1 30 35887 1 1 31 GLU CD C -5.288 13.692 -1.451 1.00 . A A . 31 GLU CD 1 1 30 35888 1 1 31 GLU CG C -3.830 13.413 -1.095 1.00 . A A . 31 GLU CG 1 1 30 35889 1 1 31 GLU H H -1.256 12.505 -1.745 1.00 . A A . 31 GLU H 1 1 30 35890 1 1 31 GLU HA H -3.056 13.421 -3.619 1.00 . A A . 31 GLU HA 1 1 30 35891 1 1 31 GLU HB2 H -2.092 14.635 -0.988 1.00 . A A . 31 GLU HB2 1 1 30 35892 1 1 31 GLU HB3 H -3.424 15.357 -1.910 1.00 . A A . 31 GLU HB3 1 1 30 35893 1 1 31 GLU HG2 H -3.552 12.424 -1.448 1.00 . A A . 31 GLU HG2 1 1 30 35894 1 1 31 GLU HG3 H -3.735 13.448 -0.010 1.00 . A A . 31 GLU HG3 1 1 30 35895 1 1 31 GLU N N -1.266 12.880 -2.684 1.00 . A A . 31 GLU N 1 1 30 35896 1 1 31 GLU O O -1.852 15.129 -5.061 1.00 . A A . 31 GLU O 1 1 30 35897 1 1 31 GLU OE1 O -5.522 14.146 -2.590 1.00 . A A . 31 GLU OE1 1 1 30 35898 1 1 31 GLU OE2 O -6.135 13.485 -0.555 1.00 . A A . 31 GLU OE2 1 1 30 35899 1 1 32 GLY C C 0.850 16.921 -4.428 1.00 . A A . 32 GLY C 1 1 30 35900 1 1 32 GLY CA C -0.480 17.177 -3.725 1.00 . A A . 32 GLY CA 1 1 30 35901 1 1 32 GLY H H -0.970 15.792 -2.151 1.00 . A A . 32 GLY H 1 1 30 35902 1 1 32 GLY HA2 H -1.193 17.595 -4.438 1.00 . A A . 32 GLY HA2 1 1 30 35903 1 1 32 GLY HA3 H -0.323 17.903 -2.929 1.00 . A A . 32 GLY HA3 1 1 30 35904 1 1 32 GLY N N -1.013 15.950 -3.146 1.00 . A A . 32 GLY N 1 1 30 35905 1 1 32 GLY O O 1.102 17.431 -5.516 1.00 . A A . 32 GLY O 1 1 30 35906 1 1 33 THR C C 3.507 14.614 -3.417 1.00 . A A . 33 THR C 1 1 30 35907 1 1 33 THR CA C 3.042 15.793 -4.265 1.00 . A A . 33 THR CA 1 1 30 35908 1 1 33 THR CB C 4.015 16.987 -4.146 1.00 . A A . 33 THR CB 1 1 30 35909 1 1 33 THR CG2 C 4.007 17.648 -2.762 1.00 . A A . 33 THR CG2 1 1 30 35910 1 1 33 THR H H 1.467 15.753 -2.882 1.00 . A A . 33 THR H 1 1 30 35911 1 1 33 THR HA H 2.953 15.495 -5.309 1.00 . A A . 33 THR HA 1 1 30 35912 1 1 33 THR HB H 3.711 17.739 -4.877 1.00 . A A . 33 THR HB 1 1 30 35913 1 1 33 THR HG1 H 5.721 16.056 -3.751 1.00 . A A . 33 THR HG1 1 1 30 35914 1 1 33 THR HG21 H 4.286 16.932 -1.990 1.00 . A A . 33 THR HG21 1 1 30 35915 1 1 33 THR HG22 H 4.722 18.470 -2.754 1.00 . A A . 33 THR HG22 1 1 30 35916 1 1 33 THR HG23 H 3.019 18.052 -2.536 1.00 . A A . 33 THR HG23 1 1 30 35917 1 1 33 THR N N 1.724 16.153 -3.775 1.00 . A A . 33 THR N 1 1 30 35918 1 1 33 THR O O 3.093 14.506 -2.260 1.00 . A A . 33 THR O 1 1 30 35919 1 1 33 THR OG1 O 5.348 16.611 -4.453 1.00 . A A . 33 THR OG1 1 1 30 35920 1 1 34 PRO C C 6.158 13.598 -2.303 1.00 . A A . 34 PRO C 1 1 30 35921 1 1 34 PRO CA C 5.117 12.826 -3.109 1.00 . A A . 34 PRO CA 1 1 30 35922 1 1 34 PRO CB C 5.745 11.800 -4.045 1.00 . A A . 34 PRO CB 1 1 30 35923 1 1 34 PRO CD C 4.717 13.569 -5.342 1.00 . A A . 34 PRO CD 1 1 30 35924 1 1 34 PRO CG C 5.868 12.565 -5.352 1.00 . A A . 34 PRO CG 1 1 30 35925 1 1 34 PRO HA H 4.456 12.322 -2.425 1.00 . A A . 34 PRO HA 1 1 30 35926 1 1 34 PRO HB2 H 6.704 11.428 -3.683 1.00 . A A . 34 PRO HB2 1 1 30 35927 1 1 34 PRO HB3 H 5.063 10.970 -4.211 1.00 . A A . 34 PRO HB3 1 1 30 35928 1 1 34 PRO HD2 H 5.035 14.501 -5.812 1.00 . A A . 34 PRO HD2 1 1 30 35929 1 1 34 PRO HD3 H 3.862 13.157 -5.881 1.00 . A A . 34 PRO HD3 1 1 30 35930 1 1 34 PRO HG2 H 6.818 13.090 -5.345 1.00 . A A . 34 PRO HG2 1 1 30 35931 1 1 34 PRO HG3 H 5.781 11.876 -6.184 1.00 . A A . 34 PRO HG3 1 1 30 35932 1 1 34 PRO N N 4.363 13.731 -3.945 1.00 . A A . 34 PRO N 1 1 30 35933 1 1 34 PRO O O 6.595 14.674 -2.714 1.00 . A A . 34 PRO O 1 1 30 35934 1 1 35 ALA C C 7.728 12.402 0.843 1.00 . A A . 35 ALA C 1 1 30 35935 1 1 35 ALA CA C 7.562 13.479 -0.238 1.00 . A A . 35 ALA CA 1 1 30 35936 1 1 35 ALA CB C 7.170 14.833 0.370 1.00 . A A . 35 ALA CB 1 1 30 35937 1 1 35 ALA H H 6.042 12.179 -0.882 1.00 . A A . 35 ALA H 1 1 30 35938 1 1 35 ALA HA H 8.505 13.588 -0.776 1.00 . A A . 35 ALA HA 1 1 30 35939 1 1 35 ALA HB1 H 7.932 15.149 1.084 1.00 . A A . 35 ALA HB1 1 1 30 35940 1 1 35 ALA HB2 H 7.093 15.594 -0.406 1.00 . A A . 35 ALA HB2 1 1 30 35941 1 1 35 ALA HB3 H 6.213 14.747 0.884 1.00 . A A . 35 ALA HB3 1 1 30 35942 1 1 35 ALA N N 6.528 13.020 -1.157 1.00 . A A . 35 ALA N 1 1 30 35943 1 1 35 ALA O O 7.734 12.709 2.032 1.00 . A A . 35 ALA O 1 1 30 35944 1 1 36 LYS C C 6.238 9.849 1.853 1.00 . A A . 36 LYS C 1 1 30 35945 1 1 36 LYS CA C 7.631 9.937 1.219 1.00 . A A . 36 LYS CA 1 1 30 35946 1 1 36 LYS CB C 8.718 9.812 2.293 1.00 . A A . 36 LYS CB 1 1 30 35947 1 1 36 LYS CD C 11.163 9.275 2.678 1.00 . A A . 36 LYS CD 1 1 30 35948 1 1 36 LYS CE C 11.022 7.767 2.934 1.00 . A A . 36 LYS CE 1 1 30 35949 1 1 36 LYS CG C 10.114 9.732 1.659 1.00 . A A . 36 LYS CG 1 1 30 35950 1 1 36 LYS H H 7.941 10.983 -0.578 1.00 . A A . 36 LYS H 1 1 30 35951 1 1 36 LYS HA H 7.725 9.088 0.542 1.00 . A A . 36 LYS HA 1 1 30 35952 1 1 36 LYS HB2 H 8.683 10.652 2.985 1.00 . A A . 36 LYS HB2 1 1 30 35953 1 1 36 LYS HB3 H 8.503 8.917 2.872 1.00 . A A . 36 LYS HB3 1 1 30 35954 1 1 36 LYS HD2 H 12.161 9.501 2.295 1.00 . A A . 36 LYS HD2 1 1 30 35955 1 1 36 LYS HD3 H 11.013 9.829 3.607 1.00 . A A . 36 LYS HD3 1 1 30 35956 1 1 36 LYS HE2 H 11.204 7.554 3.982 1.00 . A A . 36 LYS HE2 1 1 30 35957 1 1 36 LYS HE3 H 10.004 7.457 2.725 1.00 . A A . 36 LYS HE3 1 1 30 35958 1 1 36 LYS HG2 H 10.105 9.031 0.827 1.00 . A A . 36 LYS HG2 1 1 30 35959 1 1 36 LYS HG3 H 10.385 10.716 1.276 1.00 . A A . 36 LYS HG3 1 1 30 35960 1 1 36 LYS HZ1 H 12.874 7.000 2.363 1.00 . A A . 36 LYS HZ1 1 1 30 35961 1 1 36 LYS HZ2 H 11.606 5.976 2.072 1.00 . A A . 36 LYS HZ2 1 1 30 35962 1 1 36 LYS HZ3 H 11.853 7.267 1.116 1.00 . A A . 36 LYS HZ3 1 1 30 35963 1 1 36 LYS N N 7.816 11.135 0.408 1.00 . A A . 36 LYS N 1 1 30 35964 1 1 36 LYS NZ N 11.910 6.952 2.083 1.00 . A A . 36 LYS NZ 1 1 30 35965 1 1 36 LYS O O 5.524 10.843 1.967 1.00 . A A . 36 LYS O 1 1 30 35966 1 1 37 ILE C C 5.021 7.436 4.291 1.00 . A A . 37 ILE C 1 1 30 35967 1 1 37 ILE CA C 4.708 8.428 3.168 1.00 . A A . 37 ILE CA 1 1 30 35968 1 1 37 ILE CB C 3.427 7.984 2.431 1.00 . A A . 37 ILE CB 1 1 30 35969 1 1 37 ILE CD1 C 2.391 7.510 0.161 1.00 . A A . 37 ILE CD1 1 1 30 35970 1 1 37 ILE CG1 C 3.621 7.999 0.915 1.00 . A A . 37 ILE CG1 1 1 30 35971 1 1 37 ILE CG2 C 2.241 8.852 2.874 1.00 . A A . 37 ILE CG2 1 1 30 35972 1 1 37 ILE H H 6.330 7.829 1.864 1.00 . A A . 37 ILE H 1 1 30 35973 1 1 37 ILE HA H 4.504 9.374 3.672 1.00 . A A . 37 ILE HA 1 1 30 35974 1 1 37 ILE HB H 3.194 6.956 2.705 1.00 . A A . 37 ILE HB 1 1 30 35975 1 1 37 ILE HD11 H 1.565 8.203 0.306 1.00 . A A . 37 ILE HD11 1 1 30 35976 1 1 37 ILE HD12 H 2.609 7.469 -0.905 1.00 . A A . 37 ILE HD12 1 1 30 35977 1 1 37 ILE HD13 H 2.107 6.519 0.514 1.00 . A A . 37 ILE HD13 1 1 30 35978 1 1 37 ILE HG12 H 3.852 9.007 0.591 1.00 . A A . 37 ILE HG12 1 1 30 35979 1 1 37 ILE HG13 H 4.466 7.350 0.695 1.00 . A A . 37 ILE HG13 1 1 30 35980 1 1 37 ILE HG21 H 2.360 9.871 2.503 1.00 . A A . 37 ILE HG21 1 1 30 35981 1 1 37 ILE HG22 H 1.302 8.440 2.503 1.00 . A A . 37 ILE HG22 1 1 30 35982 1 1 37 ILE HG23 H 2.186 8.871 3.964 1.00 . A A . 37 ILE HG23 1 1 30 35983 1 1 37 ILE N N 5.847 8.634 2.255 1.00 . A A . 37 ILE N 1 1 30 35984 1 1 37 ILE O O 4.174 7.210 5.151 1.00 . A A . 37 ILE O 1 1 30 35985 1 1 38 ALA C C 5.900 4.483 4.979 1.00 . A A . 38 ALA C 1 1 30 35986 1 1 38 ALA CA C 6.667 5.785 5.177 1.00 . A A . 38 ALA CA 1 1 30 35987 1 1 38 ALA CB C 6.629 6.257 6.633 1.00 . A A . 38 ALA CB 1 1 30 35988 1 1 38 ALA H H 6.830 7.027 3.509 1.00 . A A . 38 ALA H 1 1 30 35989 1 1 38 ALA HA H 7.711 5.589 4.929 1.00 . A A . 38 ALA HA 1 1 30 35990 1 1 38 ALA HB1 H 7.131 5.517 7.258 1.00 . A A . 38 ALA HB1 1 1 30 35991 1 1 38 ALA HB2 H 7.146 7.212 6.705 1.00 . A A . 38 ALA HB2 1 1 30 35992 1 1 38 ALA HB3 H 5.606 6.360 6.996 1.00 . A A . 38 ALA HB3 1 1 30 35993 1 1 38 ALA N N 6.204 6.818 4.261 1.00 . A A . 38 ALA N 1 1 30 35994 1 1 38 ALA O O 6.470 3.520 4.476 1.00 . A A . 38 ALA O 1 1 30 35995 1 1 39 ILE C C 4.364 2.376 6.610 1.00 . A A . 39 ILE C 1 1 30 35996 1 1 39 ILE CA C 3.774 3.317 5.548 1.00 . A A . 39 ILE CA 1 1 30 35997 1 1 39 ILE CB C 3.486 2.679 4.179 1.00 . A A . 39 ILE CB 1 1 30 35998 1 1 39 ILE CD1 C 1.126 3.687 3.818 1.00 . A A . 39 ILE CD1 1 1 30 35999 1 1 39 ILE CG1 C 2.577 3.609 3.348 1.00 . A A . 39 ILE CG1 1 1 30 36000 1 1 39 ILE CG2 C 2.982 1.241 4.296 1.00 . A A . 39 ILE CG2 1 1 30 36001 1 1 39 ILE H H 4.184 5.395 5.476 1.00 . A A . 39 ILE H 1 1 30 36002 1 1 39 ILE HA H 2.838 3.666 5.994 1.00 . A A . 39 ILE HA 1 1 30 36003 1 1 39 ILE HB H 4.419 2.597 3.627 1.00 . A A . 39 ILE HB 1 1 30 36004 1 1 39 ILE HD11 H 1.053 4.189 4.781 1.00 . A A . 39 ILE HD11 1 1 30 36005 1 1 39 ILE HD12 H 0.545 4.254 3.089 1.00 . A A . 39 ILE HD12 1 1 30 36006 1 1 39 ILE HD13 H 0.718 2.684 3.895 1.00 . A A . 39 ILE HD13 1 1 30 36007 1 1 39 ILE HG12 H 2.971 4.623 3.379 1.00 . A A . 39 ILE HG12 1 1 30 36008 1 1 39 ILE HG13 H 2.576 3.291 2.309 1.00 . A A . 39 ILE HG13 1 1 30 36009 1 1 39 ILE HG21 H 3.719 0.629 4.815 1.00 . A A . 39 ILE HG21 1 1 30 36010 1 1 39 ILE HG22 H 2.041 1.209 4.831 1.00 . A A . 39 ILE HG22 1 1 30 36011 1 1 39 ILE HG23 H 2.853 0.815 3.308 1.00 . A A . 39 ILE HG23 1 1 30 36012 1 1 39 ILE N N 4.614 4.488 5.347 1.00 . A A . 39 ILE N 1 1 30 36013 1 1 39 ILE O O 5.544 2.033 6.587 1.00 . A A . 39 ILE O 1 1 30 36014 1 1 40 ASP C C 2.891 0.191 9.048 1.00 . A A . 40 ASP C 1 1 30 36015 1 1 40 ASP CA C 3.954 1.229 8.751 1.00 . A A . 40 ASP CA 1 1 30 36016 1 1 40 ASP CB C 4.092 2.167 9.961 1.00 . A A . 40 ASP CB 1 1 30 36017 1 1 40 ASP CG C 5.155 3.238 9.770 1.00 . A A . 40 ASP CG 1 1 30 36018 1 1 40 ASP H H 2.523 2.102 7.441 1.00 . A A . 40 ASP H 1 1 30 36019 1 1 40 ASP HA H 4.904 0.720 8.576 1.00 . A A . 40 ASP HA 1 1 30 36020 1 1 40 ASP HB2 H 3.144 2.655 10.173 1.00 . A A . 40 ASP HB2 1 1 30 36021 1 1 40 ASP HB3 H 4.378 1.583 10.835 1.00 . A A . 40 ASP HB3 1 1 30 36022 1 1 40 ASP N N 3.525 1.957 7.562 1.00 . A A . 40 ASP N 1 1 30 36023 1 1 40 ASP O O 1.809 0.246 8.477 1.00 . A A . 40 ASP O 1 1 30 36024 1 1 40 ASP OD1 O 4.825 4.255 9.122 1.00 . A A . 40 ASP OD1 1 1 30 36025 1 1 40 ASP OD2 O 6.259 3.033 10.317 1.00 . A A . 40 ASP OD2 1 1 30 36026 1 1 41 LYS C C 0.837 -1.226 10.571 1.00 . A A . 41 LYS C 1 1 30 36027 1 1 41 LYS CA C 2.229 -1.798 10.304 1.00 . A A . 41 LYS CA 1 1 30 36028 1 1 41 LYS CB C 2.796 -2.630 11.462 1.00 . A A . 41 LYS CB 1 1 30 36029 1 1 41 LYS CD C 1.073 -3.361 13.172 1.00 . A A . 41 LYS CD 1 1 30 36030 1 1 41 LYS CE C 0.031 -4.414 13.565 1.00 . A A . 41 LYS CE 1 1 30 36031 1 1 41 LYS CG C 1.864 -3.759 11.917 1.00 . A A . 41 LYS CG 1 1 30 36032 1 1 41 LYS H H 4.078 -0.720 10.391 1.00 . A A . 41 LYS H 1 1 30 36033 1 1 41 LYS HA H 2.134 -2.443 9.433 1.00 . A A . 41 LYS HA 1 1 30 36034 1 1 41 LYS HB2 H 3.716 -3.093 11.102 1.00 . A A . 41 LYS HB2 1 1 30 36035 1 1 41 LYS HB3 H 3.052 -1.989 12.306 1.00 . A A . 41 LYS HB3 1 1 30 36036 1 1 41 LYS HD2 H 1.773 -3.202 13.996 1.00 . A A . 41 LYS HD2 1 1 30 36037 1 1 41 LYS HD3 H 0.545 -2.423 12.998 1.00 . A A . 41 LYS HD3 1 1 30 36038 1 1 41 LYS HE2 H -0.408 -4.132 14.525 1.00 . A A . 41 LYS HE2 1 1 30 36039 1 1 41 LYS HE3 H -0.762 -4.419 12.816 1.00 . A A . 41 LYS HE3 1 1 30 36040 1 1 41 LYS HG2 H 1.204 -4.045 11.092 1.00 . A A . 41 LYS HG2 1 1 30 36041 1 1 41 LYS HG3 H 2.506 -4.603 12.164 1.00 . A A . 41 LYS HG3 1 1 30 36042 1 1 41 LYS HZ1 H 0.953 -6.063 12.766 1.00 . A A . 41 LYS HZ1 1 1 30 36043 1 1 41 LYS HZ2 H 1.373 -5.768 14.335 1.00 . A A . 41 LYS HZ2 1 1 30 36044 1 1 41 LYS HZ3 H -0.095 -6.422 13.984 1.00 . A A . 41 LYS HZ3 1 1 30 36045 1 1 41 LYS N N 3.163 -0.734 9.969 1.00 . A A . 41 LYS N 1 1 30 36046 1 1 41 LYS NZ N 0.610 -5.769 13.671 1.00 . A A . 41 LYS NZ 1 1 30 36047 1 1 41 LYS O O -0.137 -1.640 9.951 1.00 . A A . 41 LYS O 1 1 30 36048 1 1 42 LYS C C -0.940 1.179 10.438 1.00 . A A . 42 LYS C 1 1 30 36049 1 1 42 LYS CA C -0.519 0.435 11.707 1.00 . A A . 42 LYS CA 1 1 30 36050 1 1 42 LYS CB C -0.430 1.358 12.930 1.00 . A A . 42 LYS CB 1 1 30 36051 1 1 42 LYS CD C -0.453 1.431 15.455 1.00 . A A . 42 LYS CD 1 1 30 36052 1 1 42 LYS CE C -0.377 0.594 16.741 1.00 . A A . 42 LYS CE 1 1 30 36053 1 1 42 LYS CG C -0.263 0.540 14.219 1.00 . A A . 42 LYS CG 1 1 30 36054 1 1 42 LYS H H 1.596 0.118 11.865 1.00 . A A . 42 LYS H 1 1 30 36055 1 1 42 LYS HA H -1.289 -0.314 11.908 1.00 . A A . 42 LYS HA 1 1 30 36056 1 1 42 LYS HB2 H 0.398 2.059 12.818 1.00 . A A . 42 LYS HB2 1 1 30 36057 1 1 42 LYS HB3 H -1.362 1.923 12.989 1.00 . A A . 42 LYS HB3 1 1 30 36058 1 1 42 LYS HD2 H 0.321 2.201 15.453 1.00 . A A . 42 LYS HD2 1 1 30 36059 1 1 42 LYS HD3 H -1.431 1.914 15.385 1.00 . A A . 42 LYS HD3 1 1 30 36060 1 1 42 LYS HE2 H -1.123 -0.203 16.697 1.00 . A A . 42 LYS HE2 1 1 30 36061 1 1 42 LYS HE3 H 0.612 0.136 16.814 1.00 . A A . 42 LYS HE3 1 1 30 36062 1 1 42 LYS HG2 H -1.014 -0.252 14.233 1.00 . A A . 42 LYS HG2 1 1 30 36063 1 1 42 LYS HG3 H 0.730 0.086 14.235 1.00 . A A . 42 LYS HG3 1 1 30 36064 1 1 42 LYS HZ1 H 0.066 2.139 18.032 1.00 . A A . 42 LYS HZ1 1 1 30 36065 1 1 42 LYS HZ2 H -1.545 1.819 17.917 1.00 . A A . 42 LYS HZ2 1 1 30 36066 1 1 42 LYS HZ3 H -0.566 0.818 18.775 1.00 . A A . 42 LYS HZ3 1 1 30 36067 1 1 42 LYS N N 0.742 -0.248 11.474 1.00 . A A . 42 LYS N 1 1 30 36068 1 1 42 LYS NZ N -0.623 1.404 17.953 1.00 . A A . 42 LYS NZ 1 1 30 36069 1 1 42 LYS O O -2.021 0.926 9.907 1.00 . A A . 42 LYS O 1 1 30 36070 1 1 43 SER C C -0.127 2.058 7.468 1.00 . A A . 43 SER C 1 1 30 36071 1 1 43 SER CA C -0.322 2.867 8.747 1.00 . A A . 43 SER CA 1 1 30 36072 1 1 43 SER CB C 0.659 4.019 8.776 1.00 . A A . 43 SER CB 1 1 30 36073 1 1 43 SER H H 0.845 2.174 10.325 1.00 . A A . 43 SER H 1 1 30 36074 1 1 43 SER HA H -1.338 3.266 8.771 1.00 . A A . 43 SER HA 1 1 30 36075 1 1 43 SER HB2 H 1.656 3.592 8.698 1.00 . A A . 43 SER HB2 1 1 30 36076 1 1 43 SER HB3 H 0.452 4.624 7.901 1.00 . A A . 43 SER HB3 1 1 30 36077 1 1 43 SER HG H -0.347 5.149 10.010 1.00 . A A . 43 SER HG 1 1 30 36078 1 1 43 SER N N -0.073 2.056 9.924 1.00 . A A . 43 SER N 1 1 30 36079 1 1 43 SER O O 0.742 2.344 6.649 1.00 . A A . 43 SER O 1 1 30 36080 1 1 43 SER OG O 0.522 4.739 9.988 1.00 . A A . 43 SER OG 1 1 30 36081 1 1 44 ALA C C -2.237 -0.827 6.648 1.00 . A A . 44 ALA C 1 1 30 36082 1 1 44 ALA CA C -1.039 0.032 6.308 1.00 . A A . 44 ALA CA 1 1 30 36083 1 1 44 ALA CB C 0.211 -0.849 6.284 1.00 . A A . 44 ALA CB 1 1 30 36084 1 1 44 ALA H H -1.553 0.945 8.156 1.00 . A A . 44 ALA H 1 1 30 36085 1 1 44 ALA HA H -1.194 0.514 5.348 1.00 . A A . 44 ALA HA 1 1 30 36086 1 1 44 ALA HB1 H 1.089 -0.237 6.114 1.00 . A A . 44 ALA HB1 1 1 30 36087 1 1 44 ALA HB2 H 0.341 -1.380 7.228 1.00 . A A . 44 ALA HB2 1 1 30 36088 1 1 44 ALA HB3 H 0.116 -1.582 5.485 1.00 . A A . 44 ALA HB3 1 1 30 36089 1 1 44 ALA N N -0.955 1.035 7.352 1.00 . A A . 44 ALA N 1 1 30 36090 1 1 44 ALA O O -3.153 -1.018 5.843 1.00 . A A . 44 ALA O 1 1 30 36091 1 1 45 HIS C C -4.579 -1.264 8.609 1.00 . A A . 45 HIS C 1 1 30 36092 1 1 45 HIS CA C -3.319 -2.114 8.403 1.00 . A A . 45 HIS CA 1 1 30 36093 1 1 45 HIS CB C -2.909 -2.847 9.682 1.00 . A A . 45 HIS CB 1 1 30 36094 1 1 45 HIS CD2 C -1.026 -4.280 8.538 1.00 . A A . 45 HIS CD2 1 1 30 36095 1 1 45 HIS CE1 C -1.007 -5.942 9.961 1.00 . A A . 45 HIS CE1 1 1 30 36096 1 1 45 HIS CG C -1.962 -4.022 9.520 1.00 . A A . 45 HIS CG 1 1 30 36097 1 1 45 HIS H H -1.465 -0.990 8.508 1.00 . A A . 45 HIS H 1 1 30 36098 1 1 45 HIS HA H -3.564 -2.875 7.660 1.00 . A A . 45 HIS HA 1 1 30 36099 1 1 45 HIS HB2 H -2.506 -2.134 10.398 1.00 . A A . 45 HIS HB2 1 1 30 36100 1 1 45 HIS HB3 H -3.823 -3.253 10.119 1.00 . A A . 45 HIS HB3 1 1 30 36101 1 1 45 HIS HD1 H -2.543 -5.202 11.191 1.00 . A A . 45 HIS HD1 1 1 30 36102 1 1 45 HIS HD2 H -0.796 -3.668 7.680 1.00 . A A . 45 HIS HD2 1 1 30 36103 1 1 45 HIS HE1 H -0.785 -6.879 10.437 1.00 . A A . 45 HIS HE1 1 1 30 36104 1 1 45 HIS N N -2.228 -1.300 7.893 1.00 . A A . 45 HIS N 1 1 30 36105 1 1 45 HIS ND1 N -1.934 -5.079 10.396 1.00 . A A . 45 HIS ND1 1 1 30 36106 1 1 45 HIS NE2 N -0.426 -5.516 8.830 1.00 . A A . 45 HIS NE2 1 1 30 36107 1 1 45 HIS O O -5.681 -1.812 8.632 1.00 . A A . 45 HIS O 1 1 30 36108 1 1 46 LYS C C -5.038 2.348 8.245 1.00 . A A . 46 LYS C 1 1 30 36109 1 1 46 LYS CA C -5.556 0.994 8.734 1.00 . A A . 46 LYS CA 1 1 30 36110 1 1 46 LYS CB C -6.178 1.072 10.139 1.00 . A A . 46 LYS CB 1 1 30 36111 1 1 46 LYS CD C -8.528 1.748 9.359 1.00 . A A . 46 LYS CD 1 1 30 36112 1 1 46 LYS CE C -9.807 2.526 9.719 1.00 . A A . 46 LYS CE 1 1 30 36113 1 1 46 LYS CG C -7.344 2.065 10.288 1.00 . A A . 46 LYS CG 1 1 30 36114 1 1 46 LYS H H -3.517 0.479 8.801 1.00 . A A . 46 LYS H 1 1 30 36115 1 1 46 LYS HA H -6.308 0.626 8.034 1.00 . A A . 46 LYS HA 1 1 30 36116 1 1 46 LYS HB2 H -6.536 0.079 10.420 1.00 . A A . 46 LYS HB2 1 1 30 36117 1 1 46 LYS HB3 H -5.398 1.360 10.846 1.00 . A A . 46 LYS HB3 1 1 30 36118 1 1 46 LYS HD2 H -8.254 1.965 8.326 1.00 . A A . 46 LYS HD2 1 1 30 36119 1 1 46 LYS HD3 H -8.745 0.682 9.434 1.00 . A A . 46 LYS HD3 1 1 30 36120 1 1 46 LYS HE2 H -10.624 2.147 9.101 1.00 . A A . 46 LYS HE2 1 1 30 36121 1 1 46 LYS HE3 H -10.061 2.356 10.766 1.00 . A A . 46 LYS HE3 1 1 30 36122 1 1 46 LYS HG2 H -7.682 2.012 11.324 1.00 . A A . 46 LYS HG2 1 1 30 36123 1 1 46 LYS HG3 H -6.971 3.073 10.111 1.00 . A A . 46 LYS HG3 1 1 30 36124 1 1 46 LYS HZ1 H -9.445 4.165 8.495 1.00 . A A . 46 LYS HZ1 1 1 30 36125 1 1 46 LYS HZ2 H -10.530 4.489 9.697 1.00 . A A . 46 LYS HZ2 1 1 30 36126 1 1 46 LYS HZ3 H -8.899 4.410 9.945 1.00 . A A . 46 LYS HZ3 1 1 30 36127 1 1 46 LYS N N -4.443 0.062 8.736 1.00 . A A . 46 LYS N 1 1 30 36128 1 1 46 LYS NZ N -9.694 3.977 9.469 1.00 . A A . 46 LYS NZ 1 1 30 36129 1 1 46 LYS O O -4.008 2.829 8.707 1.00 . A A . 46 LYS O 1 1 30 36130 1 1 47 ASP C C -4.398 4.375 5.883 1.00 . A A . 47 ASP C 1 1 30 36131 1 1 47 ASP CA C -5.624 4.273 6.754 1.00 . A A . 47 ASP CA 1 1 30 36132 1 1 47 ASP CB C -5.896 5.332 7.814 1.00 . A A . 47 ASP CB 1 1 30 36133 1 1 47 ASP CG C -7.329 5.201 8.307 1.00 . A A . 47 ASP CG 1 1 30 36134 1 1 47 ASP H H -6.475 2.411 6.824 1.00 . A A . 47 ASP H 1 1 30 36135 1 1 47 ASP HA H -6.399 4.423 6.007 1.00 . A A . 47 ASP HA 1 1 30 36136 1 1 47 ASP HB2 H -5.194 5.227 8.639 1.00 . A A . 47 ASP HB2 1 1 30 36137 1 1 47 ASP HB3 H -5.779 6.301 7.345 1.00 . A A . 47 ASP HB3 1 1 30 36138 1 1 47 ASP N N -5.757 2.933 7.287 1.00 . A A . 47 ASP N 1 1 30 36139 1 1 47 ASP O O -3.658 5.355 5.869 1.00 . A A . 47 ASP O 1 1 30 36140 1 1 47 ASP OD1 O -8.203 4.762 7.516 1.00 . A A . 47 ASP OD1 1 1 30 36141 1 1 47 ASP OD2 O -7.571 5.397 9.518 1.00 . A A . 47 ASP OD2 1 1 30 36142 1 1 48 ALA C C -3.969 1.988 3.140 1.00 . A A . 48 ALA C 1 1 30 36143 1 1 48 ALA CA C -3.449 3.191 3.935 1.00 . A A . 48 ALA CA 1 1 30 36144 1 1 48 ALA CB C -2.036 3.033 4.469 1.00 . A A . 48 ALA CB 1 1 30 36145 1 1 48 ALA H H -4.871 2.517 5.276 1.00 . A A . 48 ALA H 1 1 30 36146 1 1 48 ALA HA H -3.513 4.087 3.325 1.00 . A A . 48 ALA HA 1 1 30 36147 1 1 48 ALA HB1 H -1.407 2.571 3.716 1.00 . A A . 48 ALA HB1 1 1 30 36148 1 1 48 ALA HB2 H -1.639 4.010 4.744 1.00 . A A . 48 ALA HB2 1 1 30 36149 1 1 48 ALA HB3 H -2.108 2.429 5.373 1.00 . A A . 48 ALA HB3 1 1 30 36150 1 1 48 ALA N N -4.300 3.320 5.076 1.00 . A A . 48 ALA N 1 1 30 36151 1 1 48 ALA O O -5.005 2.081 2.480 1.00 . A A . 48 ALA O 1 1 30 36152 1 1 49 CYS C C -4.904 -0.892 2.605 1.00 . A A . 49 CYS C 1 1 30 36153 1 1 49 CYS CA C -3.507 -0.300 2.382 1.00 . A A . 49 CYS CA 1 1 30 36154 1 1 49 CYS CB C -2.409 -1.329 2.563 1.00 . A A . 49 CYS CB 1 1 30 36155 1 1 49 CYS H H -2.544 0.790 3.916 1.00 . A A . 49 CYS H 1 1 30 36156 1 1 49 CYS HA H -3.473 0.054 1.355 1.00 . A A . 49 CYS HA 1 1 30 36157 1 1 49 CYS HB2 H -2.634 -1.914 3.446 1.00 . A A . 49 CYS HB2 1 1 30 36158 1 1 49 CYS HB3 H -2.410 -2.007 1.710 1.00 . A A . 49 CYS HB3 1 1 30 36159 1 1 49 CYS N N -3.299 0.841 3.256 1.00 . A A . 49 CYS N 1 1 30 36160 1 1 49 CYS O O -5.743 -0.885 1.703 1.00 . A A . 49 CYS O 1 1 30 36161 1 1 49 CYS SG S -0.722 -0.679 2.851 1.00 . A A . 49 CYS SG 1 1 30 36162 1 1 50 LYS C C -7.636 -1.003 3.893 1.00 . A A . 50 LYS C 1 1 30 36163 1 1 50 LYS CA C -6.486 -1.998 4.082 1.00 . A A . 50 LYS CA 1 1 30 36164 1 1 50 LYS CB C -6.555 -2.668 5.463 1.00 . A A . 50 LYS CB 1 1 30 36165 1 1 50 LYS CD C -6.219 -4.795 6.784 1.00 . A A . 50 LYS CD 1 1 30 36166 1 1 50 LYS CE C -5.501 -6.148 6.954 1.00 . A A . 50 LYS CE 1 1 30 36167 1 1 50 LYS CG C -5.802 -4.009 5.526 1.00 . A A . 50 LYS CG 1 1 30 36168 1 1 50 LYS H H -4.491 -1.326 4.557 1.00 . A A . 50 LYS H 1 1 30 36169 1 1 50 LYS HA H -6.639 -2.778 3.339 1.00 . A A . 50 LYS HA 1 1 30 36170 1 1 50 LYS HB2 H -6.180 -1.977 6.214 1.00 . A A . 50 LYS HB2 1 1 30 36171 1 1 50 LYS HB3 H -7.607 -2.867 5.675 1.00 . A A . 50 LYS HB3 1 1 30 36172 1 1 50 LYS HD2 H -5.975 -4.175 7.650 1.00 . A A . 50 LYS HD2 1 1 30 36173 1 1 50 LYS HD3 H -7.300 -4.948 6.786 1.00 . A A . 50 LYS HD3 1 1 30 36174 1 1 50 LYS HE2 H -4.432 -6.014 6.777 1.00 . A A . 50 LYS HE2 1 1 30 36175 1 1 50 LYS HE3 H -5.629 -6.477 7.988 1.00 . A A . 50 LYS HE3 1 1 30 36176 1 1 50 LYS HG2 H -6.035 -4.594 4.636 1.00 . A A . 50 LYS HG2 1 1 30 36177 1 1 50 LYS HG3 H -4.730 -3.802 5.551 1.00 . A A . 50 LYS HG3 1 1 30 36178 1 1 50 LYS HZ1 H -6.992 -7.469 6.293 1.00 . A A . 50 LYS HZ1 1 1 30 36179 1 1 50 LYS HZ2 H -5.982 -6.952 5.102 1.00 . A A . 50 LYS HZ2 1 1 30 36180 1 1 50 LYS HZ3 H -5.509 -8.085 6.200 1.00 . A A . 50 LYS HZ3 1 1 30 36181 1 1 50 LYS N N -5.188 -1.383 3.819 1.00 . A A . 50 LYS N 1 1 30 36182 1 1 50 LYS NZ N -6.030 -7.216 6.074 1.00 . A A . 50 LYS NZ 1 1 30 36183 1 1 50 LYS O O -8.708 -1.415 3.464 1.00 . A A . 50 LYS O 1 1 30 36184 1 1 51 THR C C -8.957 1.287 2.546 1.00 . A A . 51 THR C 1 1 30 36185 1 1 51 THR CA C -8.485 1.289 4.000 1.00 . A A . 51 THR CA 1 1 30 36186 1 1 51 THR CB C -8.021 2.666 4.503 1.00 . A A . 51 THR CB 1 1 30 36187 1 1 51 THR CG2 C -8.878 3.834 4.003 1.00 . A A . 51 THR CG2 1 1 30 36188 1 1 51 THR H H -6.531 0.578 4.517 1.00 . A A . 51 THR H 1 1 30 36189 1 1 51 THR HA H -9.349 1.003 4.601 1.00 . A A . 51 THR HA 1 1 30 36190 1 1 51 THR HB H -6.997 2.852 4.177 1.00 . A A . 51 THR HB 1 1 30 36191 1 1 51 THR HG1 H -8.165 3.517 6.285 1.00 . A A . 51 THR HG1 1 1 30 36192 1 1 51 THR HG21 H -8.553 4.758 4.483 1.00 . A A . 51 THR HG21 1 1 30 36193 1 1 51 THR HG22 H -8.757 3.956 2.926 1.00 . A A . 51 THR HG22 1 1 30 36194 1 1 51 THR HG23 H -9.930 3.663 4.232 1.00 . A A . 51 THR HG23 1 1 30 36195 1 1 51 THR N N -7.443 0.284 4.203 1.00 . A A . 51 THR N 1 1 30 36196 1 1 51 THR O O -10.160 1.217 2.296 1.00 . A A . 51 THR O 1 1 30 36197 1 1 51 THR OG1 O -8.087 2.615 5.918 1.00 . A A . 51 THR OG1 1 1 30 36198 1 1 52 CYS C C -8.959 -0.227 -0.076 1.00 . A A . 52 CYS C 1 1 30 36199 1 1 52 CYS CA C -8.427 1.174 0.192 1.00 . A A . 52 CYS CA 1 1 30 36200 1 1 52 CYS CB C -7.260 1.392 -0.719 1.00 . A A . 52 CYS CB 1 1 30 36201 1 1 52 CYS H H -7.044 1.357 1.817 1.00 . A A . 52 CYS H 1 1 30 36202 1 1 52 CYS HA H -9.216 1.891 -0.044 1.00 . A A . 52 CYS HA 1 1 30 36203 1 1 52 CYS HB2 H -6.325 1.110 -0.234 1.00 . A A . 52 CYS HB2 1 1 30 36204 1 1 52 CYS HB3 H -7.399 0.750 -1.591 1.00 . A A . 52 CYS HB3 1 1 30 36205 1 1 52 CYS N N -8.032 1.320 1.585 1.00 . A A . 52 CYS N 1 1 30 36206 1 1 52 CYS O O -10.044 -0.395 -0.634 1.00 . A A . 52 CYS O 1 1 30 36207 1 1 52 CYS SG S -7.179 3.083 -1.349 1.00 . A A . 52 CYS SG 1 1 30 36208 1 1 53 HIS C C -9.785 -3.087 0.255 1.00 . A A . 53 HIS C 1 1 30 36209 1 1 53 HIS CA C -8.424 -2.588 -0.253 1.00 . A A . 53 HIS CA 1 1 30 36210 1 1 53 HIS CB C -7.296 -3.544 0.137 1.00 . A A . 53 HIS CB 1 1 30 36211 1 1 53 HIS CD2 C -5.532 -2.457 -1.476 1.00 . A A . 53 HIS CD2 1 1 30 36212 1 1 53 HIS CE1 C -3.911 -3.876 -1.142 1.00 . A A . 53 HIS CE1 1 1 30 36213 1 1 53 HIS CG C -5.957 -3.386 -0.551 1.00 . A A . 53 HIS CG 1 1 30 36214 1 1 53 HIS H H -7.255 -1.052 0.672 1.00 . A A . 53 HIS H 1 1 30 36215 1 1 53 HIS HA H -8.470 -2.560 -1.342 1.00 . A A . 53 HIS HA 1 1 30 36216 1 1 53 HIS HB2 H -7.145 -3.479 1.212 1.00 . A A . 53 HIS HB2 1 1 30 36217 1 1 53 HIS HB3 H -7.651 -4.551 -0.092 1.00 . A A . 53 HIS HB3 1 1 30 36218 1 1 53 HIS HD1 H -4.928 -5.096 0.211 1.00 . A A . 53 HIS HD1 1 1 30 36219 1 1 53 HIS HD2 H -6.069 -1.621 -1.888 1.00 . A A . 53 HIS HD2 1 1 30 36220 1 1 53 HIS HE1 H -2.967 -4.382 -1.215 1.00 . A A . 53 HIS HE1 1 1 30 36221 1 1 53 HIS N N -8.149 -1.245 0.225 1.00 . A A . 53 HIS N 1 1 30 36222 1 1 53 HIS ND1 N -4.925 -4.269 -0.360 1.00 . A A . 53 HIS ND1 1 1 30 36223 1 1 53 HIS NE2 N -4.221 -2.781 -1.848 1.00 . A A . 53 HIS NE2 1 1 30 36224 1 1 53 HIS O O -10.482 -3.788 -0.472 1.00 . A A . 53 HIS O 1 1 30 36225 1 1 54 LYS C C -12.624 -2.535 1.024 1.00 . A A . 54 LYS C 1 1 30 36226 1 1 54 LYS CA C -11.529 -2.990 1.992 1.00 . A A . 54 LYS CA 1 1 30 36227 1 1 54 LYS CB C -11.748 -2.296 3.343 1.00 . A A . 54 LYS CB 1 1 30 36228 1 1 54 LYS CD C -11.493 -2.364 5.820 1.00 . A A . 54 LYS CD 1 1 30 36229 1 1 54 LYS CE C -11.349 -3.285 7.039 1.00 . A A . 54 LYS CE 1 1 30 36230 1 1 54 LYS CG C -11.206 -3.119 4.516 1.00 . A A . 54 LYS CG 1 1 30 36231 1 1 54 LYS H H -9.581 -2.123 2.032 1.00 . A A . 54 LYS H 1 1 30 36232 1 1 54 LYS HA H -11.640 -4.068 2.127 1.00 . A A . 54 LYS HA 1 1 30 36233 1 1 54 LYS HB2 H -11.308 -1.297 3.328 1.00 . A A . 54 LYS HB2 1 1 30 36234 1 1 54 LYS HB3 H -12.824 -2.187 3.494 1.00 . A A . 54 LYS HB3 1 1 30 36235 1 1 54 LYS HD2 H -10.807 -1.515 5.882 1.00 . A A . 54 LYS HD2 1 1 30 36236 1 1 54 LYS HD3 H -12.517 -1.983 5.776 1.00 . A A . 54 LYS HD3 1 1 30 36237 1 1 54 LYS HE2 H -12.009 -4.147 6.912 1.00 . A A . 54 LYS HE2 1 1 30 36238 1 1 54 LYS HE3 H -10.319 -3.641 7.105 1.00 . A A . 54 LYS HE3 1 1 30 36239 1 1 54 LYS HG2 H -11.718 -4.083 4.519 1.00 . A A . 54 LYS HG2 1 1 30 36240 1 1 54 LYS HG3 H -10.135 -3.287 4.395 1.00 . A A . 54 LYS HG3 1 1 30 36241 1 1 54 LYS HZ1 H -11.654 -3.243 9.072 1.00 . A A . 54 LYS HZ1 1 1 30 36242 1 1 54 LYS HZ2 H -11.097 -1.820 8.464 1.00 . A A . 54 LYS HZ2 1 1 30 36243 1 1 54 LYS HZ3 H -12.669 -2.257 8.239 1.00 . A A . 54 LYS HZ3 1 1 30 36244 1 1 54 LYS N N -10.190 -2.713 1.476 1.00 . A A . 54 LYS N 1 1 30 36245 1 1 54 LYS NZ N -11.718 -2.598 8.295 1.00 . A A . 54 LYS NZ 1 1 30 36246 1 1 54 LYS O O -13.654 -3.191 0.911 1.00 . A A . 54 LYS O 1 1 30 36247 1 1 55 SER C C -13.118 -1.404 -2.012 1.00 . A A . 55 SER C 1 1 30 36248 1 1 55 SER CA C -13.372 -0.855 -0.603 1.00 . A A . 55 SER CA 1 1 30 36249 1 1 55 SER CB C -13.280 0.676 -0.574 1.00 . A A . 55 SER CB 1 1 30 36250 1 1 55 SER H H -11.506 -0.954 0.396 1.00 . A A . 55 SER H 1 1 30 36251 1 1 55 SER HA H -14.385 -1.133 -0.308 1.00 . A A . 55 SER HA 1 1 30 36252 1 1 55 SER HB2 H -13.378 1.033 0.453 1.00 . A A . 55 SER HB2 1 1 30 36253 1 1 55 SER HB3 H -12.313 0.993 -0.970 1.00 . A A . 55 SER HB3 1 1 30 36254 1 1 55 SER HG H -14.284 0.827 -2.224 1.00 . A A . 55 SER HG 1 1 30 36255 1 1 55 SER N N -12.417 -1.402 0.347 1.00 . A A . 55 SER N 1 1 30 36256 1 1 55 SER O O -13.541 -0.777 -2.984 1.00 . A A . 55 SER O 1 1 30 36257 1 1 55 SER OG O -14.314 1.246 -1.351 1.00 . A A . 55 SER OG 1 1 30 36258 1 1 56 ASN C C -12.357 -4.694 -3.236 1.00 . A A . 56 ASN C 1 1 30 36259 1 1 56 ASN CA C -12.157 -3.193 -3.411 1.00 . A A . 56 ASN CA 1 1 30 36260 1 1 56 ASN CB C -10.714 -2.901 -3.852 1.00 . A A . 56 ASN CB 1 1 30 36261 1 1 56 ASN CG C -10.532 -1.467 -4.336 1.00 . A A . 56 ASN CG 1 1 30 36262 1 1 56 ASN H H -12.115 -3.056 -1.322 1.00 . A A . 56 ASN H 1 1 30 36263 1 1 56 ASN HA H -12.849 -2.849 -4.182 1.00 . A A . 56 ASN HA 1 1 30 36264 1 1 56 ASN HB2 H -10.024 -3.116 -3.038 1.00 . A A . 56 ASN HB2 1 1 30 36265 1 1 56 ASN HB3 H -10.453 -3.552 -4.687 1.00 . A A . 56 ASN HB3 1 1 30 36266 1 1 56 ASN HD21 H -10.069 -0.762 -2.464 1.00 . A A . 56 ASN HD21 1 1 30 36267 1 1 56 ASN HD22 H -10.092 0.406 -3.771 1.00 . A A . 56 ASN HD22 1 1 30 36268 1 1 56 ASN N N -12.434 -2.544 -2.141 1.00 . A A . 56 ASN N 1 1 30 36269 1 1 56 ASN ND2 N -10.166 -0.544 -3.452 1.00 . A A . 56 ASN ND2 1 1 30 36270 1 1 56 ASN O O -12.490 -5.194 -2.122 1.00 . A A . 56 ASN O 1 1 30 36271 1 1 56 ASN OD1 O -10.697 -1.187 -5.518 1.00 . A A . 56 ASN OD1 1 1 30 36272 1 1 57 ASN C C -10.703 -7.115 -4.008 1.00 . A A . 57 ASN C 1 1 30 36273 1 1 57 ASN CA C -12.175 -6.869 -4.314 1.00 . A A . 57 ASN CA 1 1 30 36274 1 1 57 ASN CB C -12.559 -7.500 -5.662 1.00 . A A . 57 ASN CB 1 1 30 36275 1 1 57 ASN CG C -14.063 -7.497 -5.925 1.00 . A A . 57 ASN CG 1 1 30 36276 1 1 57 ASN H H -12.151 -4.936 -5.217 1.00 . A A . 57 ASN H 1 1 30 36277 1 1 57 ASN HA H -12.791 -7.310 -3.527 1.00 . A A . 57 ASN HA 1 1 30 36278 1 1 57 ASN HB2 H -12.045 -6.973 -6.467 1.00 . A A . 57 ASN HB2 1 1 30 36279 1 1 57 ASN HB3 H -12.228 -8.539 -5.665 1.00 . A A . 57 ASN HB3 1 1 30 36280 1 1 57 ASN HD21 H -13.783 -7.674 -7.935 1.00 . A A . 57 ASN HD21 1 1 30 36281 1 1 57 ASN HD22 H -15.448 -7.606 -7.383 1.00 . A A . 57 ASN HD22 1 1 30 36282 1 1 57 ASN N N -12.334 -5.422 -4.352 1.00 . A A . 57 ASN N 1 1 30 36283 1 1 57 ASN ND2 N -14.458 -7.602 -7.190 1.00 . A A . 57 ASN ND2 1 1 30 36284 1 1 57 ASN O O -9.861 -6.866 -4.866 1.00 . A A . 57 ASN O 1 1 30 36285 1 1 57 ASN OD1 O -14.872 -7.413 -5.008 1.00 . A A . 57 ASN OD1 1 1 30 36286 1 1 58 GLY C C -8.869 -8.365 -1.029 1.00 . A A . 58 GLY C 1 1 30 36287 1 1 58 GLY CA C -8.989 -7.648 -2.371 1.00 . A A . 58 GLY CA 1 1 30 36288 1 1 58 GLY H H -11.085 -7.724 -2.089 1.00 . A A . 58 GLY H 1 1 30 36289 1 1 58 GLY HA2 H -8.429 -8.211 -3.120 1.00 . A A . 58 GLY HA2 1 1 30 36290 1 1 58 GLY HA3 H -8.579 -6.642 -2.290 1.00 . A A . 58 GLY HA3 1 1 30 36291 1 1 58 GLY N N -10.375 -7.540 -2.788 1.00 . A A . 58 GLY N 1 1 30 36292 1 1 58 GLY O O -9.868 -8.840 -0.488 1.00 . A A . 58 GLY O 1 1 30 36293 1 1 59 PRO C C -7.705 -8.549 1.956 1.00 . A A . 59 PRO C 1 1 30 36294 1 1 59 PRO CA C -7.333 -9.269 0.668 1.00 . A A . 59 PRO CA 1 1 30 36295 1 1 59 PRO CB C -5.826 -9.528 0.578 1.00 . A A . 59 PRO CB 1 1 30 36296 1 1 59 PRO CD C -6.426 -7.930 -1.091 1.00 . A A . 59 PRO CD 1 1 30 36297 1 1 59 PRO CG C -5.319 -8.245 -0.087 1.00 . A A . 59 PRO CG 1 1 30 36298 1 1 59 PRO HA H -7.920 -10.197 0.674 1.00 . A A . 59 PRO HA 1 1 30 36299 1 1 59 PRO HB2 H -5.362 -9.709 1.548 1.00 . A A . 59 PRO HB2 1 1 30 36300 1 1 59 PRO HB3 H -5.644 -10.374 -0.086 1.00 . A A . 59 PRO HB3 1 1 30 36301 1 1 59 PRO HD2 H -6.492 -6.853 -1.254 1.00 . A A . 59 PRO HD2 1 1 30 36302 1 1 59 PRO HD3 H -6.215 -8.439 -2.034 1.00 . A A . 59 PRO HD3 1 1 30 36303 1 1 59 PRO HG2 H -5.260 -7.450 0.657 1.00 . A A . 59 PRO HG2 1 1 30 36304 1 1 59 PRO HG3 H -4.357 -8.368 -0.587 1.00 . A A . 59 PRO HG3 1 1 30 36305 1 1 59 PRO N N -7.640 -8.473 -0.505 1.00 . A A . 59 PRO N 1 1 30 36306 1 1 59 PRO O O -8.126 -7.394 1.967 1.00 . A A . 59 PRO O 1 1 30 36307 1 1 60 THR C C -8.232 -9.722 5.343 1.00 . A A . 60 THR C 1 1 30 36308 1 1 60 THR CA C -8.753 -9.358 3.954 1.00 . A A . 60 THR CA 1 1 30 36309 1 1 60 THR CB C -9.794 -10.297 3.309 1.00 . A A . 60 THR CB 1 1 30 36310 1 1 60 THR CG2 C -9.363 -11.742 3.005 1.00 . A A . 60 THR CG2 1 1 30 36311 1 1 60 THR H H -7.101 -10.166 2.981 1.00 . A A . 60 THR H 1 1 30 36312 1 1 60 THR HA H -9.212 -8.370 4.035 1.00 . A A . 60 THR HA 1 1 30 36313 1 1 60 THR HB H -10.059 -9.847 2.348 1.00 . A A . 60 THR HB 1 1 30 36314 1 1 60 THR HG1 H -11.647 -10.636 3.405 1.00 . A A . 60 THR HG1 1 1 30 36315 1 1 60 THR HG21 H -9.418 -12.362 3.899 1.00 . A A . 60 THR HG21 1 1 30 36316 1 1 60 THR HG22 H -10.055 -12.166 2.276 1.00 . A A . 60 THR HG22 1 1 30 36317 1 1 60 THR HG23 H -8.361 -11.790 2.579 1.00 . A A . 60 THR HG23 1 1 30 36318 1 1 60 THR N N -7.625 -9.305 3.051 1.00 . A A . 60 THR N 1 1 30 36319 1 1 60 THR O O -8.107 -8.841 6.199 1.00 . A A . 60 THR O 1 1 30 36320 1 1 60 THR OG1 O -10.985 -10.347 4.038 1.00 . A A . 60 THR OG1 1 1 30 36321 1 1 61 LYS C C -5.509 -10.995 6.262 1.00 . A A . 61 LYS C 1 1 30 36322 1 1 61 LYS CA C -6.951 -11.371 6.635 1.00 . A A . 61 LYS CA 1 1 30 36323 1 1 61 LYS CB C -7.157 -12.872 6.923 1.00 . A A . 61 LYS CB 1 1 30 36324 1 1 61 LYS CD C -9.169 -12.653 8.514 1.00 . A A . 61 LYS CD 1 1 30 36325 1 1 61 LYS CE C -10.550 -13.261 8.814 1.00 . A A . 61 LYS CE 1 1 30 36326 1 1 61 LYS CG C -8.614 -13.265 7.220 1.00 . A A . 61 LYS CG 1 1 30 36327 1 1 61 LYS H H -7.868 -11.620 4.760 1.00 . A A . 61 LYS H 1 1 30 36328 1 1 61 LYS HA H -7.215 -10.811 7.533 1.00 . A A . 61 LYS HA 1 1 30 36329 1 1 61 LYS HB2 H -6.860 -13.451 6.047 1.00 . A A . 61 LYS HB2 1 1 30 36330 1 1 61 LYS HB3 H -6.530 -13.167 7.766 1.00 . A A . 61 LYS HB3 1 1 30 36331 1 1 61 LYS HD2 H -8.477 -12.871 9.331 1.00 . A A . 61 LYS HD2 1 1 30 36332 1 1 61 LYS HD3 H -9.253 -11.572 8.390 1.00 . A A . 61 LYS HD3 1 1 30 36333 1 1 61 LYS HE2 H -11.220 -13.062 7.974 1.00 . A A . 61 LYS HE2 1 1 30 36334 1 1 61 LYS HE3 H -10.451 -14.342 8.926 1.00 . A A . 61 LYS HE3 1 1 30 36335 1 1 61 LYS HG2 H -9.248 -12.983 6.376 1.00 . A A . 61 LYS HG2 1 1 30 36336 1 1 61 LYS HG3 H -8.637 -14.353 7.306 1.00 . A A . 61 LYS HG3 1 1 30 36337 1 1 61 LYS HZ1 H -10.567 -12.904 10.845 1.00 . A A . 61 LYS HZ1 1 1 30 36338 1 1 61 LYS HZ2 H -11.293 -11.717 9.961 1.00 . A A . 61 LYS HZ2 1 1 30 36339 1 1 61 LYS HZ3 H -12.057 -13.150 10.202 1.00 . A A . 61 LYS HZ3 1 1 30 36340 1 1 61 LYS N N -7.791 -10.969 5.524 1.00 . A A . 61 LYS N 1 1 30 36341 1 1 61 LYS NZ N -11.157 -12.715 10.047 1.00 . A A . 61 LYS NZ 1 1 30 36342 1 1 61 LYS O O -5.203 -9.797 6.183 1.00 . A A . 61 LYS O 1 1 30 36343 1 1 62 CYS C C -2.950 -12.290 4.235 1.00 . A A . 62 CYS C 1 1 30 36344 1 1 62 CYS CA C -3.249 -11.802 5.650 1.00 . A A . 62 CYS CA 1 1 30 36345 1 1 62 CYS CB C -2.333 -12.431 6.677 1.00 . A A . 62 CYS CB 1 1 30 36346 1 1 62 CYS H H -4.979 -12.940 6.004 1.00 . A A . 62 CYS H 1 1 30 36347 1 1 62 CYS HA H -3.036 -10.752 5.597 1.00 . A A . 62 CYS HA 1 1 30 36348 1 1 62 CYS HB2 H -2.210 -13.487 6.437 1.00 . A A . 62 CYS HB2 1 1 30 36349 1 1 62 CYS HB3 H -1.361 -11.940 6.618 1.00 . A A . 62 CYS HB3 1 1 30 36350 1 1 62 CYS N N -4.653 -11.988 5.993 1.00 . A A . 62 CYS N 1 1 30 36351 1 1 62 CYS O O -3.860 -12.457 3.426 1.00 . A A . 62 CYS O 1 1 30 36352 1 1 62 CYS SG S -2.933 -12.351 8.391 1.00 . A A . 62 CYS SG 1 1 30 36353 1 1 63 GLY C C -1.157 -12.052 1.543 1.00 . A A . 63 GLY C 1 1 30 36354 1 1 63 GLY CA C -1.197 -13.070 2.678 1.00 . A A . 63 GLY CA 1 1 30 36355 1 1 63 GLY H H -0.974 -12.167 4.598 1.00 . A A . 63 GLY H 1 1 30 36356 1 1 63 GLY HA2 H -0.195 -13.470 2.838 1.00 . A A . 63 GLY HA2 1 1 30 36357 1 1 63 GLY HA3 H -1.856 -13.894 2.397 1.00 . A A . 63 GLY HA3 1 1 30 36358 1 1 63 GLY N N -1.664 -12.454 3.918 1.00 . A A . 63 GLY N 1 1 30 36359 1 1 63 GLY O O -0.171 -11.952 0.822 1.00 . A A . 63 GLY O 1 1 30 36360 1 1 64 GLY C C -1.148 -9.424 0.094 1.00 . A A . 64 GLY C 1 1 30 36361 1 1 64 GLY CA C -2.422 -10.175 0.486 1.00 . A A . 64 GLY CA 1 1 30 36362 1 1 64 GLY H H -3.015 -11.505 2.029 1.00 . A A . 64 GLY H 1 1 30 36363 1 1 64 GLY HA2 H -2.930 -10.541 -0.407 1.00 . A A . 64 GLY HA2 1 1 30 36364 1 1 64 GLY HA3 H -3.058 -9.456 1.002 1.00 . A A . 64 GLY HA3 1 1 30 36365 1 1 64 GLY N N -2.233 -11.270 1.428 1.00 . A A . 64 GLY N 1 1 30 36366 1 1 64 GLY O O -0.930 -9.127 -1.076 1.00 . A A . 64 GLY O 1 1 30 36367 1 1 65 CYS C C 2.053 -8.787 1.407 1.00 . A A . 65 CYS C 1 1 30 36368 1 1 65 CYS CA C 0.747 -8.113 0.978 1.00 . A A . 65 CYS CA 1 1 30 36369 1 1 65 CYS CB C 0.422 -6.897 1.810 1.00 . A A . 65 CYS CB 1 1 30 36370 1 1 65 CYS H H -0.619 -9.359 2.024 1.00 . A A . 65 CYS H 1 1 30 36371 1 1 65 CYS HA H 0.865 -7.795 -0.058 1.00 . A A . 65 CYS HA 1 1 30 36372 1 1 65 CYS HB2 H 0.514 -7.177 2.857 1.00 . A A . 65 CYS HB2 1 1 30 36373 1 1 65 CYS HB3 H 1.125 -6.093 1.599 1.00 . A A . 65 CYS HB3 1 1 30 36374 1 1 65 CYS N N -0.356 -9.056 1.103 1.00 . A A . 65 CYS N 1 1 30 36375 1 1 65 CYS O O 3.050 -8.738 0.693 1.00 . A A . 65 CYS O 1 1 30 36376 1 1 65 CYS SG S -1.284 -6.337 1.461 1.00 . A A . 65 CYS SG 1 1 30 36377 1 1 66 HIS C C 3.283 -11.502 2.323 1.00 . A A . 66 HIS C 1 1 30 36378 1 1 66 HIS CA C 3.190 -10.177 3.075 1.00 . A A . 66 HIS CA 1 1 30 36379 1 1 66 HIS CB C 3.028 -10.474 4.573 1.00 . A A . 66 HIS CB 1 1 30 36380 1 1 66 HIS CD2 C 1.801 -8.759 6.020 1.00 . A A . 66 HIS CD2 1 1 30 36381 1 1 66 HIS CE1 C 3.471 -7.466 6.585 1.00 . A A . 66 HIS CE1 1 1 30 36382 1 1 66 HIS CG C 2.933 -9.254 5.440 1.00 . A A . 66 HIS CG 1 1 30 36383 1 1 66 HIS H H 1.199 -9.440 3.120 1.00 . A A . 66 HIS H 1 1 30 36384 1 1 66 HIS HA H 4.105 -9.598 2.928 1.00 . A A . 66 HIS HA 1 1 30 36385 1 1 66 HIS HB2 H 2.143 -11.093 4.721 1.00 . A A . 66 HIS HB2 1 1 30 36386 1 1 66 HIS HB3 H 3.885 -11.066 4.896 1.00 . A A . 66 HIS HB3 1 1 30 36387 1 1 66 HIS HD1 H 4.946 -8.488 5.550 1.00 . A A . 66 HIS HD1 1 1 30 36388 1 1 66 HIS HD2 H 0.800 -9.139 5.973 1.00 . A A . 66 HIS HD2 1 1 30 36389 1 1 66 HIS HE1 H 4.083 -6.687 7.011 1.00 . A A . 66 HIS HE1 1 1 30 36390 1 1 66 HIS N N 2.047 -9.425 2.581 1.00 . A A . 66 HIS N 1 1 30 36391 1 1 66 HIS ND1 N 3.976 -8.447 5.821 1.00 . A A . 66 HIS ND1 1 1 30 36392 1 1 66 HIS NE2 N 2.145 -7.623 6.742 1.00 . A A . 66 HIS NE2 1 1 30 36393 1 1 66 HIS O O 2.452 -12.377 2.555 1.00 . A A . 66 HIS O 1 1 30 36394 1 1 67 ILE C C 5.136 -13.940 1.862 1.00 . A A . 67 ILE C 1 1 30 36395 1 1 67 ILE CA C 4.554 -12.959 0.834 1.00 . A A . 67 ILE CA 1 1 30 36396 1 1 67 ILE CB C 5.449 -12.756 -0.406 1.00 . A A . 67 ILE CB 1 1 30 36397 1 1 67 ILE CD1 C 3.479 -11.865 -1.831 1.00 . A A . 67 ILE CD1 1 1 30 36398 1 1 67 ILE CG1 C 4.918 -11.652 -1.345 1.00 . A A . 67 ILE CG1 1 1 30 36399 1 1 67 ILE CG2 C 5.617 -14.071 -1.185 1.00 . A A . 67 ILE CG2 1 1 30 36400 1 1 67 ILE H H 4.959 -10.926 1.323 1.00 . A A . 67 ILE H 1 1 30 36401 1 1 67 ILE HA H 3.605 -13.374 0.492 1.00 . A A . 67 ILE HA 1 1 30 36402 1 1 67 ILE HB H 6.439 -12.437 -0.075 1.00 . A A . 67 ILE HB 1 1 30 36403 1 1 67 ILE HD11 H 3.383 -12.817 -2.351 1.00 . A A . 67 ILE HD11 1 1 30 36404 1 1 67 ILE HD12 H 2.780 -11.832 -0.996 1.00 . A A . 67 ILE HD12 1 1 30 36405 1 1 67 ILE HD13 H 3.219 -11.064 -2.525 1.00 . A A . 67 ILE HD13 1 1 30 36406 1 1 67 ILE HG12 H 4.970 -10.686 -0.841 1.00 . A A . 67 ILE HG12 1 1 30 36407 1 1 67 ILE HG13 H 5.569 -11.596 -2.219 1.00 . A A . 67 ILE HG13 1 1 30 36408 1 1 67 ILE HG21 H 6.170 -14.798 -0.591 1.00 . A A . 67 ILE HG21 1 1 30 36409 1 1 67 ILE HG22 H 4.646 -14.497 -1.437 1.00 . A A . 67 ILE HG22 1 1 30 36410 1 1 67 ILE HG23 H 6.176 -13.889 -2.102 1.00 . A A . 67 ILE HG23 1 1 30 36411 1 1 67 ILE N N 4.309 -11.682 1.491 1.00 . A A . 67 ILE N 1 1 30 36412 1 1 67 ILE O O 6.341 -14.195 1.889 1.00 . A A . 67 ILE O 1 1 30 36413 1 1 68 LYS C C 3.317 -16.208 4.095 1.00 . A A . 68 LYS C 1 1 30 36414 1 1 68 LYS CA C 4.618 -15.531 3.675 1.00 . A A . 68 LYS CA 1 1 30 36415 1 1 68 LYS CB C 5.345 -14.928 4.887 1.00 . A A . 68 LYS CB 1 1 30 36416 1 1 68 LYS CD C 7.263 -16.582 4.823 1.00 . A A . 68 LYS CD 1 1 30 36417 1 1 68 LYS CE C 8.560 -16.764 5.622 1.00 . A A . 68 LYS CE 1 1 30 36418 1 1 68 LYS CG C 6.131 -15.982 5.676 1.00 . A A . 68 LYS CG 1 1 30 36419 1 1 68 LYS H H 3.289 -14.238 2.718 1.00 . A A . 68 LYS H 1 1 30 36420 1 1 68 LYS HA H 5.241 -16.266 3.165 1.00 . A A . 68 LYS HA 1 1 30 36421 1 1 68 LYS HB2 H 6.039 -14.158 4.557 1.00 . A A . 68 LYS HB2 1 1 30 36422 1 1 68 LYS HB3 H 4.610 -14.458 5.541 1.00 . A A . 68 LYS HB3 1 1 30 36423 1 1 68 LYS HD2 H 6.923 -17.554 4.457 1.00 . A A . 68 LYS HD2 1 1 30 36424 1 1 68 LYS HD3 H 7.459 -15.954 3.950 1.00 . A A . 68 LYS HD3 1 1 30 36425 1 1 68 LYS HE2 H 8.330 -17.236 6.580 1.00 . A A . 68 LYS HE2 1 1 30 36426 1 1 68 LYS HE3 H 9.226 -17.426 5.065 1.00 . A A . 68 LYS HE3 1 1 30 36427 1 1 68 LYS HG2 H 6.516 -15.510 6.577 1.00 . A A . 68 LYS HG2 1 1 30 36428 1 1 68 LYS HG3 H 5.451 -16.777 5.990 1.00 . A A . 68 LYS HG3 1 1 30 36429 1 1 68 LYS HZ1 H 8.618 -14.797 6.263 1.00 . A A . 68 LYS HZ1 1 1 30 36430 1 1 68 LYS HZ2 H 10.052 -15.589 6.439 1.00 . A A . 68 LYS HZ2 1 1 30 36431 1 1 68 LYS HZ3 H 9.547 -15.086 4.955 1.00 . A A . 68 LYS HZ3 1 1 30 36432 1 1 68 LYS N N 4.280 -14.486 2.727 1.00 . A A . 68 LYS N 1 1 30 36433 1 1 68 LYS NZ N 9.249 -15.474 5.838 1.00 . A A . 68 LYS NZ 1 1 30 36434 1 1 68 LYS O O 2.259 -15.582 3.855 1.00 . A A . 68 LYS O 1 1 30 36435 1 1 68 LYS OXT O 3.408 -17.321 4.656 1.00 . A A . 68 LYS OXT 1 1 30 36436 2 2 1 HEC C1A C 7.830 7.757 -2.981 1.00 . B A . 69 HEC C1A 1 1 30 36437 2 2 1 HEC C1B C 5.549 8.512 -6.507 1.00 . B A . 69 HEC C1B 1 1 30 36438 2 2 1 HEC C1C C 2.493 5.873 -5.107 1.00 . B A . 69 HEC C1C 1 1 30 36439 2 2 1 HEC C1D C 4.650 5.398 -1.435 1.00 . B A . 69 HEC C1D 1 1 30 36440 2 2 1 HEC C2A C 8.910 8.662 -3.284 1.00 . B A . 69 HEC C2A 1 1 30 36441 2 2 1 HEC C2B C 4.927 8.846 -7.764 1.00 . B A . 69 HEC C2B 1 1 30 36442 2 2 1 HEC C2C C 1.293 5.183 -4.699 1.00 . B A . 69 HEC C2C 1 1 30 36443 2 2 1 HEC C2D C 5.312 5.078 -0.191 1.00 . B A . 69 HEC C2D 1 1 30 36444 2 2 1 HEC C3A C 8.582 9.300 -4.451 1.00 . B A . 69 HEC C3A 1 1 30 36445 2 2 1 HEC C3B C 3.765 8.113 -7.849 1.00 . B A . 69 HEC C3B 1 1 30 36446 2 2 1 HEC C3C C 1.474 4.798 -3.386 1.00 . B A . 69 HEC C3C 1 1 30 36447 2 2 1 HEC C3D C 6.552 5.650 -0.227 1.00 . B A . 69 HEC C3D 1 1 30 36448 2 2 1 HEC C4A C 7.327 8.736 -4.900 1.00 . B A . 69 HEC C4A 1 1 30 36449 2 2 1 HEC C4B C 3.741 7.222 -6.703 1.00 . B A . 69 HEC C4B 1 1 30 36450 2 2 1 HEC C4C C 2.804 5.230 -2.992 1.00 . B A . 69 HEC C4C 1 1 30 36451 2 2 1 HEC C4D C 6.665 6.317 -1.492 1.00 . B A . 69 HEC C4D 1 1 30 36452 2 2 1 HEC CAA C 10.113 8.952 -2.417 1.00 . B A . 69 HEC CAA 1 1 30 36453 2 2 1 HEC CAB C 2.553 8.499 -8.674 1.00 . B A . 69 HEC CAB 1 1 30 36454 2 2 1 HEC CAC C 0.431 4.170 -2.477 1.00 . B A . 69 HEC CAC 1 1 30 36455 2 2 1 HEC CAD C 7.585 5.643 0.871 1.00 . B A . 69 HEC CAD 1 1 30 36456 2 2 1 HEC CBA C 11.170 7.843 -2.430 1.00 . B A . 69 HEC CBA 1 1 30 36457 2 2 1 HEC CBB C 2.822 8.842 -10.148 1.00 . B A . 69 HEC CBB 1 1 30 36458 2 2 1 HEC CBC C 0.034 2.743 -2.874 1.00 . B A . 69 HEC CBC 1 1 30 36459 2 2 1 HEC CBD C 8.602 4.503 0.757 1.00 . B A . 69 HEC CBD 1 1 30 36460 2 2 1 HEC CGA C 12.321 8.193 -1.486 1.00 . B A . 69 HEC CGA 1 1 30 36461 2 2 1 HEC CGD C 9.755 4.740 1.731 1.00 . B A . 69 HEC CGD 1 1 30 36462 2 2 1 HEC CHA C 7.768 7.034 -1.826 1.00 . B A . 69 HEC CHA 1 1 30 36463 2 2 1 HEC CHB C 6.697 9.112 -6.053 1.00 . B A . 69 HEC CHB 1 1 30 36464 2 2 1 HEC CHC C 2.657 6.429 -6.364 1.00 . B A . 69 HEC CHC 1 1 30 36465 2 2 1 HEC CHD C 3.372 4.996 -1.740 1.00 . B A . 69 HEC CHD 1 1 30 36466 2 2 1 HEC CMA C 9.426 10.367 -5.116 1.00 . B A . 69 HEC CMA 1 1 30 36467 2 2 1 HEC CMB C 5.411 9.870 -8.767 1.00 . B A . 69 HEC CMB 1 1 30 36468 2 2 1 HEC CMC C 0.051 5.024 -5.562 1.00 . B A . 69 HEC CMC 1 1 30 36469 2 2 1 HEC CMD C 4.741 4.330 0.978 1.00 . B A . 69 HEC CMD 1 1 30 36470 2 2 1 HEC FE FE 5.139 6.788 -4.060 1.00 . B A . 69 HEC FE 1 1 30 36471 2 2 1 HEC HAA1 H 10.609 9.866 -2.739 1.00 . B A . 69 HEC HAA1 1 1 30 36472 2 2 1 HEC HAA2 H 9.781 9.103 -1.394 1.00 . B A . 69 HEC HAA2 1 1 30 36473 2 2 1 HEC HAB H 1.841 7.683 -8.668 1.00 . B A . 69 HEC HAB 1 1 30 36474 2 2 1 HEC HAC H 0.810 4.111 -1.462 1.00 . B A . 69 HEC HAC 1 1 30 36475 2 2 1 HEC HAD1 H 8.127 6.584 0.904 1.00 . B A . 69 HEC HAD1 1 1 30 36476 2 2 1 HEC HAD2 H 7.095 5.553 1.827 1.00 . B A . 69 HEC HAD2 1 1 30 36477 2 2 1 HEC HBA1 H 10.716 6.904 -2.110 1.00 . B A . 69 HEC HBA1 1 1 30 36478 2 2 1 HEC HBA2 H 11.541 7.717 -3.449 1.00 . B A . 69 HEC HBA2 1 1 30 36479 2 2 1 HEC HBB1 H 3.540 8.143 -10.574 1.00 . B A . 69 HEC HBB1 1 1 30 36480 2 2 1 HEC HBB2 H 1.900 8.772 -10.724 1.00 . B A . 69 HEC HBB2 1 1 30 36481 2 2 1 HEC HBB3 H 3.194 9.861 -10.247 1.00 . B A . 69 HEC HBB3 1 1 30 36482 2 2 1 HEC HBC1 H 0.913 2.099 -2.881 1.00 . B A . 69 HEC HBC1 1 1 30 36483 2 2 1 HEC HBC2 H -0.680 2.350 -2.152 1.00 . B A . 69 HEC HBC2 1 1 30 36484 2 2 1 HEC HBC3 H -0.424 2.716 -3.859 1.00 . B A . 69 HEC HBC3 1 1 30 36485 2 2 1 HEC HBD1 H 8.113 3.556 0.985 1.00 . B A . 69 HEC HBD1 1 1 30 36486 2 2 1 HEC HBD2 H 8.984 4.469 -0.265 1.00 . B A . 69 HEC HBD2 1 1 30 36487 2 2 1 HEC HHA H 8.577 7.056 -1.116 1.00 . B A . 69 HEC HHA 1 1 30 36488 2 2 1 HEC HHB H 7.097 9.943 -6.588 1.00 . B A . 69 HEC HHB 1 1 30 36489 2 2 1 HEC HHC H 1.832 6.339 -7.043 1.00 . B A . 69 HEC HHC 1 1 30 36490 2 2 1 HEC HHD H 2.827 4.492 -0.956 1.00 . B A . 69 HEC HHD 1 1 30 36491 2 2 1 HEC HMA1 H 10.359 9.914 -5.455 1.00 . B A . 69 HEC HMA1 1 1 30 36492 2 2 1 HEC HMA2 H 8.931 10.835 -5.963 1.00 . B A . 69 HEC HMA2 1 1 30 36493 2 2 1 HEC HMA3 H 9.656 11.148 -4.392 1.00 . B A . 69 HEC HMA3 1 1 30 36494 2 2 1 HEC HMB1 H 5.387 9.443 -9.768 1.00 . B A . 69 HEC HMB1 1 1 30 36495 2 2 1 HEC HMB2 H 4.758 10.743 -8.720 1.00 . B A . 69 HEC HMB2 1 1 30 36496 2 2 1 HEC HMB3 H 6.434 10.189 -8.586 1.00 . B A . 69 HEC HMB3 1 1 30 36497 2 2 1 HEC HMC1 H -0.279 6.004 -5.900 1.00 . B A . 69 HEC HMC1 1 1 30 36498 2 2 1 HEC HMC2 H 0.288 4.421 -6.435 1.00 . B A . 69 HEC HMC2 1 1 30 36499 2 2 1 HEC HMC3 H -0.783 4.563 -5.033 1.00 . B A . 69 HEC HMC3 1 1 30 36500 2 2 1 HEC HMD1 H 4.027 3.592 0.629 1.00 . B A . 69 HEC HMD1 1 1 30 36501 2 2 1 HEC HMD2 H 5.532 3.812 1.522 1.00 . B A . 69 HEC HMD2 1 1 30 36502 2 2 1 HEC HMD3 H 4.255 5.041 1.637 1.00 . B A . 69 HEC HMD3 1 1 30 36503 2 2 1 HEC NA N 6.915 7.810 -3.998 1.00 . B A . 69 HEC NA 1 1 30 36504 2 2 1 HEC NB N 4.856 7.479 -5.946 1.00 . B A . 69 HEC NB 1 1 30 36505 2 2 1 HEC NC N 3.365 5.883 -4.063 1.00 . B A . 69 HEC NC 1 1 30 36506 2 2 1 HEC ND N 5.512 6.140 -2.187 1.00 . B A . 69 HEC ND 1 1 30 36507 2 2 1 HEC O1A O 12.098 8.071 -0.259 1.00 . B A . 69 HEC O1A 1 1 30 36508 2 2 1 HEC O1D O 10.931 4.678 1.308 1.00 . B A . 69 HEC O1D 1 1 30 36509 2 2 1 HEC O2A O 13.380 8.625 -1.985 1.00 . B A . 69 HEC O2A 1 1 30 36510 2 2 1 HEC O2D O 9.477 5.173 2.867 1.00 . B A . 69 HEC O2D 1 1 30 36511 3 2 1 HEC C1A C -2.588 -4.517 -4.601 1.00 . C A . 70 HEC C1A 1 1 30 36512 3 2 1 HEC C1B C -0.729 -2.566 -1.305 1.00 . C A . 70 HEC C1B 1 1 30 36513 3 2 1 HEC C1C C -3.396 0.754 -1.795 1.00 . C A . 70 HEC C1C 1 1 30 36514 3 2 1 HEC C1D C -5.412 -1.296 -4.874 1.00 . C A . 70 HEC C1D 1 1 30 36515 3 2 1 HEC C2A C -1.764 -5.707 -4.578 1.00 . C A . 70 HEC C2A 1 1 30 36516 3 2 1 HEC C2B C -0.061 -2.042 -0.142 1.00 . C A . 70 HEC C2B 1 1 30 36517 3 2 1 HEC C2C C -4.186 1.958 -1.816 1.00 . C A . 70 HEC C2C 1 1 30 36518 3 2 1 HEC C2D C -6.138 -1.799 -6.007 1.00 . C A . 70 HEC C2D 1 1 30 36519 3 2 1 HEC C3A C -0.866 -5.564 -3.547 1.00 . C A . 70 HEC C3A 1 1 30 36520 3 2 1 HEC C3B C -0.604 -0.803 0.111 1.00 . C A . 70 HEC C3B 1 1 30 36521 3 2 1 HEC C3C C -5.201 1.749 -2.716 1.00 . C A . 70 HEC C3C 1 1 30 36522 3 2 1 HEC C3D C -5.540 -2.976 -6.384 1.00 . C A . 70 HEC C3D 1 1 30 36523 3 2 1 HEC C4A C -1.114 -4.282 -2.937 1.00 . C A . 70 HEC C4A 1 1 30 36524 3 2 1 HEC C4B C -1.611 -0.571 -0.895 1.00 . C A . 70 HEC C4B 1 1 30 36525 3 2 1 HEC C4C C -4.959 0.448 -3.308 1.00 . C A . 70 HEC C4C 1 1 30 36526 3 2 1 HEC C4D C -4.449 -3.213 -5.458 1.00 . C A . 70 HEC C4D 1 1 30 36527 3 2 1 HEC CAA C -1.957 -6.946 -5.425 1.00 . C A . 70 HEC CAA 1 1 30 36528 3 2 1 HEC CAB C -0.290 0.111 1.277 1.00 . C A . 70 HEC CAB 1 1 30 36529 3 2 1 HEC CAC C -6.412 2.645 -2.933 1.00 . C A . 70 HEC CAC 1 1 30 36530 3 2 1 HEC CAD C -5.907 -3.770 -7.618 1.00 . C A . 70 HEC CAD 1 1 30 36531 3 2 1 HEC CBA C -3.010 -7.892 -4.830 1.00 . C A . 70 HEC CBA 1 1 30 36532 3 2 1 HEC CBB C 1.148 0.624 1.250 1.00 . C A . 70 HEC CBB 1 1 30 36533 3 2 1 HEC CBC C -6.120 3.880 -3.771 1.00 . C A . 70 HEC CBC 1 1 30 36534 3 2 1 HEC CBD C -5.321 -3.149 -8.897 1.00 . C A . 70 HEC CBD 1 1 30 36535 3 2 1 HEC CGA C -3.226 -9.165 -5.658 1.00 . C A . 70 HEC CGA 1 1 30 36536 3 2 1 HEC CGD C -5.919 -3.709 -10.193 1.00 . C A . 70 HEC CGD 1 1 30 36537 3 2 1 HEC CHA C -3.621 -4.318 -5.498 1.00 . C A . 70 HEC CHA 1 1 30 36538 3 2 1 HEC CHB C -0.427 -3.796 -1.842 1.00 . C A . 70 HEC CHB 1 1 30 36539 3 2 1 HEC CHC C -2.359 0.581 -0.938 1.00 . C A . 70 HEC CHC 1 1 30 36540 3 2 1 HEC CHD C -5.739 -0.105 -4.282 1.00 . C A . 70 HEC CHD 1 1 30 36541 3 2 1 HEC CMA C 0.164 -6.574 -3.098 1.00 . C A . 70 HEC CMA 1 1 30 36542 3 2 1 HEC CMB C 0.967 -2.783 0.681 1.00 . C A . 70 HEC CMB 1 1 30 36543 3 2 1 HEC CMC C -3.958 3.179 -0.951 1.00 . C A . 70 HEC CMC 1 1 30 36544 3 2 1 HEC CMD C -7.262 -1.072 -6.711 1.00 . C A . 70 HEC CMD 1 1 30 36545 3 2 1 HEC FE FE -2.989 -1.914 -3.146 1.00 . C A . 70 HEC FE 1 1 30 36546 3 2 1 HEC HAA1 H -2.261 -6.675 -6.436 1.00 . C A . 70 HEC HAA1 1 1 30 36547 3 2 1 HEC HAA2 H -1.019 -7.490 -5.523 1.00 . C A . 70 HEC HAA2 1 1 30 36548 3 2 1 HEC HAB H -0.897 1.007 1.261 1.00 . C A . 70 HEC HAB 1 1 30 36549 3 2 1 HEC HAC H -7.176 2.103 -3.485 1.00 . C A . 70 HEC HAC 1 1 30 36550 3 2 1 HEC HAD1 H -5.581 -4.805 -7.548 1.00 . C A . 70 HEC HAD1 1 1 30 36551 3 2 1 HEC HAD2 H -6.994 -3.789 -7.704 1.00 . C A . 70 HEC HAD2 1 1 30 36552 3 2 1 HEC HBA1 H -2.693 -8.174 -3.824 1.00 . C A . 70 HEC HBA1 1 1 30 36553 3 2 1 HEC HBA2 H -3.958 -7.356 -4.755 1.00 . C A . 70 HEC HBA2 1 1 30 36554 3 2 1 HEC HBB1 H 1.242 1.424 1.978 1.00 . C A . 70 HEC HBB1 1 1 30 36555 3 2 1 HEC HBB2 H 1.859 -0.167 1.477 1.00 . C A . 70 HEC HBB2 1 1 30 36556 3 2 1 HEC HBB3 H 1.379 1.031 0.265 1.00 . C A . 70 HEC HBB3 1 1 30 36557 3 2 1 HEC HBC1 H -5.442 4.564 -3.265 1.00 . C A . 70 HEC HBC1 1 1 30 36558 3 2 1 HEC HBC2 H -5.664 3.509 -4.683 1.00 . C A . 70 HEC HBC2 1 1 30 36559 3 2 1 HEC HBC3 H -7.047 4.401 -4.013 1.00 . C A . 70 HEC HBC3 1 1 30 36560 3 2 1 HEC HBD1 H -5.502 -2.073 -8.887 1.00 . C A . 70 HEC HBD1 1 1 30 36561 3 2 1 HEC HBD2 H -4.242 -3.310 -8.893 1.00 . C A . 70 HEC HBD2 1 1 30 36562 3 2 1 HEC HHA H -3.808 -5.074 -6.237 1.00 . C A . 70 HEC HHA 1 1 30 36563 3 2 1 HEC HHB H 0.366 -4.374 -1.381 1.00 . C A . 70 HEC HHB 1 1 30 36564 3 2 1 HEC HHC H -2.172 1.371 -0.243 1.00 . C A . 70 HEC HHC 1 1 30 36565 3 2 1 HEC HHD H -6.608 0.418 -4.635 1.00 . C A . 70 HEC HHD 1 1 30 36566 3 2 1 HEC HMA1 H 1.152 -6.262 -3.438 1.00 . C A . 70 HEC HMA1 1 1 30 36567 3 2 1 HEC HMA2 H 0.155 -6.644 -2.012 1.00 . C A . 70 HEC HMA2 1 1 30 36568 3 2 1 HEC HMA3 H -0.063 -7.562 -3.495 1.00 . C A . 70 HEC HMA3 1 1 30 36569 3 2 1 HEC HMB1 H 1.141 -2.274 1.621 1.00 . C A . 70 HEC HMB1 1 1 30 36570 3 2 1 HEC HMB2 H 0.595 -3.783 0.897 1.00 . C A . 70 HEC HMB2 1 1 30 36571 3 2 1 HEC HMB3 H 1.901 -2.857 0.129 1.00 . C A . 70 HEC HMB3 1 1 30 36572 3 2 1 HEC HMC1 H -2.910 3.469 -0.983 1.00 . C A . 70 HEC HMC1 1 1 30 36573 3 2 1 HEC HMC2 H -4.548 4.023 -1.299 1.00 . C A . 70 HEC HMC2 1 1 30 36574 3 2 1 HEC HMC3 H -4.250 2.952 0.074 1.00 . C A . 70 HEC HMC3 1 1 30 36575 3 2 1 HEC HMD1 H -6.944 -0.050 -6.933 1.00 . C A . 70 HEC HMD1 1 1 30 36576 3 2 1 HEC HMD2 H -7.529 -1.566 -7.644 1.00 . C A . 70 HEC HMD2 1 1 30 36577 3 2 1 HEC HMD3 H -8.136 -1.040 -6.063 1.00 . C A . 70 HEC HMD3 1 1 30 36578 3 2 1 HEC NA N -2.164 -3.697 -3.589 1.00 . C A . 70 HEC NA 1 1 30 36579 3 2 1 HEC NB N -1.675 -1.666 -1.699 1.00 . C A . 70 HEC NB 1 1 30 36580 3 2 1 HEC NC N -3.863 -0.101 -2.720 1.00 . C A . 70 HEC NC 1 1 30 36581 3 2 1 HEC ND N -4.401 -2.159 -4.587 1.00 . C A . 70 HEC ND 1 1 30 36582 3 2 1 HEC O1A O -2.645 -9.243 -6.763 1.00 . C A . 70 HEC O1A 1 1 30 36583 3 2 1 HEC O1D O -7.020 -4.299 -10.123 1.00 . C A . 70 HEC O1D 1 1 30 36584 3 2 1 HEC O2A O -3.977 -10.038 -5.168 1.00 . C A . 70 HEC O2A 1 1 30 36585 3 2 1 HEC O2D O -5.273 -3.506 -11.247 1.00 . C A . 70 HEC O2D 1 1 30 36586 4 2 1 HEC C1A C 3.217 -5.824 9.552 1.00 . D A . 71 HEC C1A 1 1 30 36587 4 2 1 HEC C1B C 0.392 -9.034 9.526 1.00 . D A . 71 HEC C1B 1 1 30 36588 4 2 1 HEC C1C C -1.359 -7.398 6.004 1.00 . D A . 71 HEC C1C 1 1 30 36589 4 2 1 HEC C1D C 1.560 -4.334 5.888 1.00 . D A . 71 HEC C1D 1 1 30 36590 4 2 1 HEC C2A C 3.990 -6.315 10.673 1.00 . D A . 71 HEC C2A 1 1 30 36591 4 2 1 HEC C2B C -0.531 -10.133 9.671 1.00 . D A . 71 HEC C2B 1 1 30 36592 4 2 1 HEC C2C C -1.956 -7.134 4.721 1.00 . D A . 71 HEC C2C 1 1 30 36593 4 2 1 HEC C2D C 2.491 -3.243 5.729 1.00 . D A . 71 HEC C2D 1 1 30 36594 4 2 1 HEC C3A C 3.277 -7.352 11.216 1.00 . D A . 71 HEC C3A 1 1 30 36595 4 2 1 HEC C3B C -1.523 -9.952 8.735 1.00 . D A . 71 HEC C3B 1 1 30 36596 4 2 1 HEC C3C C -1.331 -6.024 4.206 1.00 . D A . 71 HEC C3C 1 1 30 36597 4 2 1 HEC C3D C 3.243 -3.186 6.871 1.00 . D A . 71 HEC C3D 1 1 30 36598 4 2 1 HEC C4A C 2.242 -7.694 10.270 1.00 . D A . 71 HEC C4A 1 1 30 36599 4 2 1 HEC C4B C -1.098 -8.846 7.904 1.00 . D A . 71 HEC C4B 1 1 30 36600 4 2 1 HEC C4C C -0.269 -5.691 5.139 1.00 . D A . 71 HEC C4C 1 1 30 36601 4 2 1 HEC C4D C 2.878 -4.328 7.679 1.00 . D A . 71 HEC C4D 1 1 30 36602 4 2 1 HEC CAA C 5.369 -5.858 11.110 1.00 . D A . 71 HEC CAA 1 1 30 36603 4 2 1 HEC CAB C -2.913 -10.572 8.741 1.00 . D A . 71 HEC CAB 1 1 30 36604 4 2 1 HEC CAC C -1.668 -5.307 2.904 1.00 . D A . 71 HEC CAC 1 1 30 36605 4 2 1 HEC CAD C 4.327 -2.167 7.149 1.00 . D A . 71 HEC CAD 1 1 30 36606 4 2 1 HEC CBA C 6.515 -6.471 10.279 1.00 . D A . 71 HEC CBA 1 1 30 36607 4 2 1 HEC CBB C -3.670 -10.330 10.048 1.00 . D A . 71 HEC CBB 1 1 30 36608 4 2 1 HEC CBC C -3.119 -4.822 2.813 1.00 . D A . 71 HEC CBC 1 1 30 36609 4 2 1 HEC CBD C 5.667 -2.527 6.513 1.00 . D A . 71 HEC CBD 1 1 30 36610 4 2 1 HEC CGA C 7.038 -7.830 10.769 1.00 . D A . 71 HEC CGA 1 1 30 36611 4 2 1 HEC CGD C 6.088 -3.924 6.946 1.00 . D A . 71 HEC CGD 1 1 30 36612 4 2 1 HEC CHA C 3.544 -4.707 8.826 1.00 . D A . 71 HEC CHA 1 1 30 36613 4 2 1 HEC CHB C 1.425 -8.794 10.405 1.00 . D A . 71 HEC CHB 1 1 30 36614 4 2 1 HEC CHC C -1.768 -8.438 6.780 1.00 . D A . 71 HEC CHC 1 1 30 36615 4 2 1 HEC CHD C 0.619 -4.668 4.940 1.00 . D A . 71 HEC CHD 1 1 30 36616 4 2 1 HEC CMA C 3.471 -7.928 12.599 1.00 . D A . 71 HEC CMA 1 1 30 36617 4 2 1 HEC CMB C -0.441 -11.232 10.705 1.00 . D A . 71 HEC CMB 1 1 30 36618 4 2 1 HEC CMC C -2.915 -8.076 4.023 1.00 . D A . 71 HEC CMC 1 1 30 36619 4 2 1 HEC CMD C 2.676 -2.350 4.526 1.00 . D A . 71 HEC CMD 1 1 30 36620 4 2 1 HEC FE FE 0.900 -6.594 7.819 1.00 . D A . 71 HEC FE 1 1 30 36621 4 2 1 HEC HAA1 H 5.438 -4.778 10.990 1.00 . D A . 71 HEC HAA1 1 1 30 36622 4 2 1 HEC HAA2 H 5.541 -6.075 12.163 1.00 . D A . 71 HEC HAA2 1 1 30 36623 4 2 1 HEC HAB H -3.521 -10.089 7.987 1.00 . D A . 71 HEC HAB 1 1 30 36624 4 2 1 HEC HAC H -1.069 -4.406 2.800 1.00 . D A . 71 HEC HAC 1 1 30 36625 4 2 1 HEC HAD1 H 4.020 -1.190 6.776 1.00 . D A . 71 HEC HAD1 1 1 30 36626 4 2 1 HEC HAD2 H 4.498 -2.095 8.219 1.00 . D A . 71 HEC HAD2 1 1 30 36627 4 2 1 HEC HBA1 H 6.165 -6.590 9.249 1.00 . D A . 71 HEC HBA1 1 1 30 36628 4 2 1 HEC HBA2 H 7.356 -5.779 10.288 1.00 . D A . 71 HEC HBA2 1 1 30 36629 4 2 1 HEC HBB1 H -3.182 -10.837 10.880 1.00 . D A . 71 HEC HBB1 1 1 30 36630 4 2 1 HEC HBB2 H -3.712 -9.260 10.248 1.00 . D A . 71 HEC HBB2 1 1 30 36631 4 2 1 HEC HBB3 H -4.687 -10.712 9.951 1.00 . D A . 71 HEC HBB3 1 1 30 36632 4 2 1 HEC HBC1 H -3.334 -4.169 3.656 1.00 . D A . 71 HEC HBC1 1 1 30 36633 4 2 1 HEC HBC2 H -3.249 -4.254 1.892 1.00 . D A . 71 HEC HBC2 1 1 30 36634 4 2 1 HEC HBC3 H -3.819 -5.654 2.816 1.00 . D A . 71 HEC HBC3 1 1 30 36635 4 2 1 HEC HBD1 H 5.562 -2.494 5.432 1.00 . D A . 71 HEC HBD1 1 1 30 36636 4 2 1 HEC HBD2 H 6.419 -1.796 6.813 1.00 . D A . 71 HEC HBD2 1 1 30 36637 4 2 1 HEC HHA H 4.435 -4.166 9.095 1.00 . D A . 71 HEC HHA 1 1 30 36638 4 2 1 HEC HHB H 1.606 -9.500 11.193 1.00 . D A . 71 HEC HHB 1 1 30 36639 4 2 1 HEC HHC H -2.598 -9.001 6.428 1.00 . D A . 71 HEC HHC 1 1 30 36640 4 2 1 HEC HHD H 0.583 -4.128 4.010 1.00 . D A . 71 HEC HHD 1 1 30 36641 4 2 1 HEC HMA1 H 4.308 -8.614 12.586 1.00 . D A . 71 HEC HMA1 1 1 30 36642 4 2 1 HEC HMA2 H 3.718 -7.123 13.291 1.00 . D A . 71 HEC HMA2 1 1 30 36643 4 2 1 HEC HMA3 H 2.580 -8.442 12.952 1.00 . D A . 71 HEC HMA3 1 1 30 36644 4 2 1 HEC HMB1 H -0.671 -10.835 11.691 1.00 . D A . 71 HEC HMB1 1 1 30 36645 4 2 1 HEC HMB2 H -1.137 -12.034 10.466 1.00 . D A . 71 HEC HMB2 1 1 30 36646 4 2 1 HEC HMB3 H 0.565 -11.651 10.698 1.00 . D A . 71 HEC HMB3 1 1 30 36647 4 2 1 HEC HMC1 H -3.095 -7.770 2.996 1.00 . D A . 71 HEC HMC1 1 1 30 36648 4 2 1 HEC HMC2 H -2.466 -9.071 4.011 1.00 . D A . 71 HEC HMC2 1 1 30 36649 4 2 1 HEC HMC3 H -3.853 -8.125 4.567 1.00 . D A . 71 HEC HMC3 1 1 30 36650 4 2 1 HEC HMD1 H 2.492 -1.320 4.806 1.00 . D A . 71 HEC HMD1 1 1 30 36651 4 2 1 HEC HMD2 H 3.705 -2.438 4.195 1.00 . D A . 71 HEC HMD2 1 1 30 36652 4 2 1 HEC HMD3 H 2.024 -2.608 3.702 1.00 . D A . 71 HEC HMD3 1 1 30 36653 4 2 1 HEC NA N 2.184 -6.701 9.350 1.00 . D A . 71 HEC NA 1 1 30 36654 4 2 1 HEC NB N 0.013 -8.296 8.453 1.00 . D A . 71 HEC NB 1 1 30 36655 4 2 1 HEC NC N -0.348 -6.547 6.207 1.00 . D A . 71 HEC NC 1 1 30 36656 4 2 1 HEC ND N 1.813 -4.940 7.092 1.00 . D A . 71 HEC ND 1 1 30 36657 4 2 1 HEC O1A O 6.603 -8.284 11.854 1.00 . D A . 71 HEC O1A 1 1 30 36658 4 2 1 HEC O1D O 6.618 -4.043 8.070 1.00 . D A . 71 HEC O1D 1 1 30 36659 4 2 1 HEC O2A O 7.812 -8.471 10.016 1.00 . D A . 71 HEC O2A 1 1 30 36660 4 2 1 HEC O2D O 5.773 -4.874 6.193 1.00 . D A . 71 HEC O2D 1 1 31 36661 1 1 1 ALA C C 9.044 2.671 -7.406 1.00 . A A . 1 ALA C 1 1 31 36662 1 1 1 ALA CA C 9.986 3.855 -7.194 1.00 . A A . 1 ALA CA 1 1 31 36663 1 1 1 ALA CB C 10.898 3.601 -5.987 1.00 . A A . 1 ALA CB 1 1 31 36664 1 1 1 ALA H1 H 8.616 4.934 -6.161 1.00 . A A . 1 ALA H1 1 1 31 36665 1 1 1 ALA H2 H 9.798 5.870 -6.818 1.00 . A A . 1 ALA H2 1 1 31 36666 1 1 1 ALA H3 H 8.589 5.252 -7.769 1.00 . A A . 1 ALA H3 1 1 31 36667 1 1 1 ALA HA H 10.614 3.982 -8.077 1.00 . A A . 1 ALA HA 1 1 31 36668 1 1 1 ALA HB1 H 11.442 2.665 -6.125 1.00 . A A . 1 ALA HB1 1 1 31 36669 1 1 1 ALA HB2 H 11.615 4.415 -5.878 1.00 . A A . 1 ALA HB2 1 1 31 36670 1 1 1 ALA HB3 H 10.306 3.529 -5.071 1.00 . A A . 1 ALA HB3 1 1 31 36671 1 1 1 ALA N N 9.193 5.079 -6.978 1.00 . A A . 1 ALA N 1 1 31 36672 1 1 1 ALA O O 8.431 2.241 -6.435 1.00 . A A . 1 ALA O 1 1 31 36673 1 1 2 ASP C C 8.470 -0.187 -8.100 1.00 . A A . 2 ASP C 1 1 31 36674 1 1 2 ASP CA C 8.072 1.024 -8.950 1.00 . A A . 2 ASP CA 1 1 31 36675 1 1 2 ASP CB C 8.197 0.688 -10.441 1.00 . A A . 2 ASP CB 1 1 31 36676 1 1 2 ASP CG C 7.093 -0.246 -10.914 1.00 . A A . 2 ASP CG 1 1 31 36677 1 1 2 ASP H H 9.328 2.600 -9.453 1.00 . A A . 2 ASP H 1 1 31 36678 1 1 2 ASP HA H 7.044 1.302 -8.730 1.00 . A A . 2 ASP HA 1 1 31 36679 1 1 2 ASP HB2 H 8.145 1.597 -11.040 1.00 . A A . 2 ASP HB2 1 1 31 36680 1 1 2 ASP HB3 H 9.162 0.210 -10.625 1.00 . A A . 2 ASP HB3 1 1 31 36681 1 1 2 ASP N N 8.881 2.192 -8.649 1.00 . A A . 2 ASP N 1 1 31 36682 1 1 2 ASP O O 9.587 -0.232 -7.587 1.00 . A A . 2 ASP O 1 1 31 36683 1 1 2 ASP OD1 O 6.116 -0.421 -10.149 1.00 . A A . 2 ASP OD1 1 1 31 36684 1 1 2 ASP OD2 O 7.196 -0.684 -12.081 1.00 . A A . 2 ASP OD2 1 1 31 36685 1 1 3 VAL C C 8.706 -2.398 -6.164 1.00 . A A . 3 VAL C 1 1 31 36686 1 1 3 VAL CA C 7.635 -2.401 -7.253 1.00 . A A . 3 VAL CA 1 1 31 36687 1 1 3 VAL CB C 7.725 -3.608 -8.208 1.00 . A A . 3 VAL CB 1 1 31 36688 1 1 3 VAL CG1 C 6.377 -3.847 -8.900 1.00 . A A . 3 VAL CG1 1 1 31 36689 1 1 3 VAL CG2 C 8.815 -3.449 -9.281 1.00 . A A . 3 VAL CG2 1 1 31 36690 1 1 3 VAL H H 6.744 -1.015 -8.615 1.00 . A A . 3 VAL H 1 1 31 36691 1 1 3 VAL HA H 6.715 -2.474 -6.681 1.00 . A A . 3 VAL HA 1 1 31 36692 1 1 3 VAL HB H 7.950 -4.497 -7.617 1.00 . A A . 3 VAL HB 1 1 31 36693 1 1 3 VAL HG11 H 5.596 -3.999 -8.155 1.00 . A A . 3 VAL HG11 1 1 31 36694 1 1 3 VAL HG12 H 6.110 -2.998 -9.527 1.00 . A A . 3 VAL HG12 1 1 31 36695 1 1 3 VAL HG13 H 6.438 -4.739 -9.525 1.00 . A A . 3 VAL HG13 1 1 31 36696 1 1 3 VAL HG21 H 9.783 -3.252 -8.823 1.00 . A A . 3 VAL HG21 1 1 31 36697 1 1 3 VAL HG22 H 8.887 -4.370 -9.861 1.00 . A A . 3 VAL HG22 1 1 31 36698 1 1 3 VAL HG23 H 8.570 -2.632 -9.960 1.00 . A A . 3 VAL HG23 1 1 31 36699 1 1 3 VAL N N 7.547 -1.147 -8.000 1.00 . A A . 3 VAL N 1 1 31 36700 1 1 3 VAL O O 9.799 -2.938 -6.328 1.00 . A A . 3 VAL O 1 1 31 36701 1 1 4 VAL C C 8.821 -2.596 -2.849 1.00 . A A . 4 VAL C 1 1 31 36702 1 1 4 VAL CA C 9.247 -1.600 -3.909 1.00 . A A . 4 VAL CA 1 1 31 36703 1 1 4 VAL CB C 9.137 -0.139 -3.446 1.00 . A A . 4 VAL CB 1 1 31 36704 1 1 4 VAL CG1 C 7.689 0.347 -3.399 1.00 . A A . 4 VAL CG1 1 1 31 36705 1 1 4 VAL CG2 C 9.807 0.105 -2.085 1.00 . A A . 4 VAL CG2 1 1 31 36706 1 1 4 VAL H H 7.386 -1.578 -4.834 1.00 . A A . 4 VAL H 1 1 31 36707 1 1 4 VAL HA H 10.284 -1.800 -4.186 1.00 . A A . 4 VAL HA 1 1 31 36708 1 1 4 VAL HB H 9.621 0.462 -4.209 1.00 . A A . 4 VAL HB 1 1 31 36709 1 1 4 VAL HG11 H 7.659 1.339 -2.954 1.00 . A A . 4 VAL HG11 1 1 31 36710 1 1 4 VAL HG12 H 7.269 0.422 -4.402 1.00 . A A . 4 VAL HG12 1 1 31 36711 1 1 4 VAL HG13 H 7.102 -0.359 -2.813 1.00 . A A . 4 VAL HG13 1 1 31 36712 1 1 4 VAL HG21 H 9.821 1.173 -1.869 1.00 . A A . 4 VAL HG21 1 1 31 36713 1 1 4 VAL HG22 H 9.262 -0.405 -1.285 1.00 . A A . 4 VAL HG22 1 1 31 36714 1 1 4 VAL HG23 H 10.833 -0.263 -2.104 1.00 . A A . 4 VAL HG23 1 1 31 36715 1 1 4 VAL N N 8.361 -1.790 -5.031 1.00 . A A . 4 VAL N 1 1 31 36716 1 1 4 VAL O O 7.719 -3.152 -2.915 1.00 . A A . 4 VAL O 1 1 31 36717 1 1 5 THR C C 9.775 -2.970 0.599 1.00 . A A . 5 THR C 1 1 31 36718 1 1 5 THR CA C 9.284 -3.577 -0.705 1.00 . A A . 5 THR CA 1 1 31 36719 1 1 5 THR CB C 9.707 -5.045 -0.880 1.00 . A A . 5 THR CB 1 1 31 36720 1 1 5 THR CG2 C 11.221 -5.247 -0.980 1.00 . A A . 5 THR CG2 1 1 31 36721 1 1 5 THR H H 10.572 -2.339 -1.816 1.00 . A A . 5 THR H 1 1 31 36722 1 1 5 THR HA H 8.203 -3.468 -0.654 1.00 . A A . 5 THR HA 1 1 31 36723 1 1 5 THR HB H 9.241 -5.444 -1.781 1.00 . A A . 5 THR HB 1 1 31 36724 1 1 5 THR HG1 H 8.420 -5.300 0.476 1.00 . A A . 5 THR HG1 1 1 31 36725 1 1 5 THR HG21 H 11.620 -4.705 -1.838 1.00 . A A . 5 THR HG21 1 1 31 36726 1 1 5 THR HG22 H 11.715 -4.899 -0.072 1.00 . A A . 5 THR HG22 1 1 31 36727 1 1 5 THR HG23 H 11.433 -6.309 -1.107 1.00 . A A . 5 THR HG23 1 1 31 36728 1 1 5 THR N N 9.684 -2.817 -1.856 1.00 . A A . 5 THR N 1 1 31 36729 1 1 5 THR O O 10.882 -2.441 0.676 1.00 . A A . 5 THR O 1 1 31 36730 1 1 5 THR OG1 O 9.224 -5.764 0.222 1.00 . A A . 5 THR OG1 1 1 31 36731 1 1 6 TYR C C 9.724 -4.361 3.514 1.00 . A A . 6 TYR C 1 1 31 36732 1 1 6 TYR CA C 9.328 -2.967 3.012 1.00 . A A . 6 TYR CA 1 1 31 36733 1 1 6 TYR CB C 8.208 -2.328 3.846 1.00 . A A . 6 TYR CB 1 1 31 36734 1 1 6 TYR CD1 C 8.602 -0.007 2.855 1.00 . A A . 6 TYR CD1 1 1 31 36735 1 1 6 TYR CD2 C 6.328 -0.697 3.373 1.00 . A A . 6 TYR CD2 1 1 31 36736 1 1 6 TYR CE1 C 8.119 1.234 2.405 1.00 . A A . 6 TYR CE1 1 1 31 36737 1 1 6 TYR CE2 C 5.854 0.548 2.930 1.00 . A A . 6 TYR CE2 1 1 31 36738 1 1 6 TYR CG C 7.709 -0.975 3.360 1.00 . A A . 6 TYR CG 1 1 31 36739 1 1 6 TYR CZ C 6.760 1.555 2.567 1.00 . A A . 6 TYR CZ 1 1 31 36740 1 1 6 TYR H H 8.014 -3.491 1.418 1.00 . A A . 6 TYR H 1 1 31 36741 1 1 6 TYR HA H 10.206 -2.324 3.093 1.00 . A A . 6 TYR HA 1 1 31 36742 1 1 6 TYR HB2 H 7.367 -3.018 3.872 1.00 . A A . 6 TYR HB2 1 1 31 36743 1 1 6 TYR HB3 H 8.566 -2.206 4.870 1.00 . A A . 6 TYR HB3 1 1 31 36744 1 1 6 TYR HD1 H 9.656 -0.217 2.763 1.00 . A A . 6 TYR HD1 1 1 31 36745 1 1 6 TYR HD2 H 5.623 -1.438 3.719 1.00 . A A . 6 TYR HD2 1 1 31 36746 1 1 6 TYR HE1 H 8.775 1.871 1.828 1.00 . A A . 6 TYR HE1 1 1 31 36747 1 1 6 TYR HE2 H 4.792 0.697 2.799 1.00 . A A . 6 TYR HE2 1 1 31 36748 1 1 6 TYR HH H 6.976 3.314 1.808 1.00 . A A . 6 TYR HH 1 1 31 36749 1 1 6 TYR N N 8.925 -3.087 1.622 1.00 . A A . 6 TYR N 1 1 31 36750 1 1 6 TYR O O 8.870 -5.221 3.770 1.00 . A A . 6 TYR O 1 1 31 36751 1 1 6 TYR OH O 6.310 2.813 2.283 1.00 . A A . 6 TYR OH 1 1 31 36752 1 1 7 GLU C C 11.440 -5.846 5.701 1.00 . A A . 7 GLU C 1 1 31 36753 1 1 7 GLU CA C 11.618 -5.800 4.181 1.00 . A A . 7 GLU CA 1 1 31 36754 1 1 7 GLU CB C 13.065 -5.972 3.733 1.00 . A A . 7 GLU CB 1 1 31 36755 1 1 7 GLU CD C 15.394 -4.987 3.529 1.00 . A A . 7 GLU CD 1 1 31 36756 1 1 7 GLU CG C 13.916 -4.692 3.765 1.00 . A A . 7 GLU CG 1 1 31 36757 1 1 7 GLU H H 11.678 -3.853 3.366 1.00 . A A . 7 GLU H 1 1 31 36758 1 1 7 GLU HA H 11.080 -6.655 3.768 1.00 . A A . 7 GLU HA 1 1 31 36759 1 1 7 GLU HB2 H 13.500 -6.728 4.385 1.00 . A A . 7 GLU HB2 1 1 31 36760 1 1 7 GLU HB3 H 13.059 -6.361 2.716 1.00 . A A . 7 GLU HB3 1 1 31 36761 1 1 7 GLU HG2 H 13.605 -4.000 2.984 1.00 . A A . 7 GLU HG2 1 1 31 36762 1 1 7 GLU HG3 H 13.822 -4.209 4.738 1.00 . A A . 7 GLU HG3 1 1 31 36763 1 1 7 GLU N N 11.036 -4.586 3.630 1.00 . A A . 7 GLU N 1 1 31 36764 1 1 7 GLU O O 12.364 -5.691 6.497 1.00 . A A . 7 GLU O 1 1 31 36765 1 1 7 GLU OE1 O 15.686 -6.092 3.020 1.00 . A A . 7 GLU OE1 1 1 31 36766 1 1 7 GLU OE2 O 16.205 -4.094 3.853 1.00 . A A . 7 GLU OE2 1 1 31 36767 1 1 8 ASN C C 10.007 -7.761 7.824 1.00 . A A . 8 ASN C 1 1 31 36768 1 1 8 ASN CA C 9.703 -6.321 7.414 1.00 . A A . 8 ASN CA 1 1 31 36769 1 1 8 ASN CB C 8.195 -6.065 7.457 1.00 . A A . 8 ASN CB 1 1 31 36770 1 1 8 ASN CG C 7.445 -7.136 6.681 1.00 . A A . 8 ASN CG 1 1 31 36771 1 1 8 ASN H H 9.592 -6.258 5.273 1.00 . A A . 8 ASN H 1 1 31 36772 1 1 8 ASN HA H 10.200 -5.631 8.098 1.00 . A A . 8 ASN HA 1 1 31 36773 1 1 8 ASN HB2 H 7.855 -6.070 8.487 1.00 . A A . 8 ASN HB2 1 1 31 36774 1 1 8 ASN HB3 H 7.976 -5.085 7.034 1.00 . A A . 8 ASN HB3 1 1 31 36775 1 1 8 ASN HD21 H 7.646 -6.072 4.949 1.00 . A A . 8 ASN HD21 1 1 31 36776 1 1 8 ASN HD22 H 6.854 -7.651 4.830 1.00 . A A . 8 ASN HD22 1 1 31 36777 1 1 8 ASN N N 10.194 -6.097 6.062 1.00 . A A . 8 ASN N 1 1 31 36778 1 1 8 ASN ND2 N 7.315 -6.934 5.378 1.00 . A A . 8 ASN ND2 1 1 31 36779 1 1 8 ASN O O 10.395 -8.578 6.987 1.00 . A A . 8 ASN O 1 1 31 36780 1 1 8 ASN OD1 O 7.025 -8.158 7.222 1.00 . A A . 8 ASN OD1 1 1 31 36781 1 1 9 LYS C C 9.214 -10.450 9.125 1.00 . A A . 9 LYS C 1 1 31 36782 1 1 9 LYS CA C 10.187 -9.386 9.633 1.00 . A A . 9 LYS CA 1 1 31 36783 1 1 9 LYS CB C 10.243 -9.305 11.176 1.00 . A A . 9 LYS CB 1 1 31 36784 1 1 9 LYS CD C 11.044 -11.491 12.362 1.00 . A A . 9 LYS CD 1 1 31 36785 1 1 9 LYS CE C 10.648 -12.451 11.235 1.00 . A A . 9 LYS CE 1 1 31 36786 1 1 9 LYS CG C 11.391 -10.085 11.844 1.00 . A A . 9 LYS CG 1 1 31 36787 1 1 9 LYS H H 9.355 -7.436 9.745 1.00 . A A . 9 LYS H 1 1 31 36788 1 1 9 LYS HA H 11.182 -9.604 9.242 1.00 . A A . 9 LYS HA 1 1 31 36789 1 1 9 LYS HB2 H 10.431 -8.261 11.432 1.00 . A A . 9 LYS HB2 1 1 31 36790 1 1 9 LYS HB3 H 9.282 -9.571 11.619 1.00 . A A . 9 LYS HB3 1 1 31 36791 1 1 9 LYS HD2 H 11.933 -11.866 12.874 1.00 . A A . 9 LYS HD2 1 1 31 36792 1 1 9 LYS HD3 H 10.234 -11.415 13.091 1.00 . A A . 9 LYS HD3 1 1 31 36793 1 1 9 LYS HE2 H 9.606 -12.264 10.981 1.00 . A A . 9 LYS HE2 1 1 31 36794 1 1 9 LYS HE3 H 11.281 -12.265 10.364 1.00 . A A . 9 LYS HE3 1 1 31 36795 1 1 9 LYS HG2 H 12.256 -10.123 11.180 1.00 . A A . 9 LYS HG2 1 1 31 36796 1 1 9 LYS HG3 H 11.691 -9.505 12.720 1.00 . A A . 9 LYS HG3 1 1 31 36797 1 1 9 LYS HZ1 H 11.741 -14.084 11.840 1.00 . A A . 9 LYS HZ1 1 1 31 36798 1 1 9 LYS HZ2 H 10.189 -14.082 12.404 1.00 . A A . 9 LYS HZ2 1 1 31 36799 1 1 9 LYS HZ3 H 10.498 -14.446 10.830 1.00 . A A . 9 LYS HZ3 1 1 31 36800 1 1 9 LYS N N 9.809 -8.092 9.100 1.00 . A A . 9 LYS N 1 1 31 36801 1 1 9 LYS NZ N 10.780 -13.871 11.612 1.00 . A A . 9 LYS NZ 1 1 31 36802 1 1 9 LYS O O 9.639 -11.502 8.646 1.00 . A A . 9 LYS O 1 1 31 36803 1 1 10 LYS C C 6.898 -11.846 7.690 1.00 . A A . 10 LYS C 1 1 31 36804 1 1 10 LYS CA C 6.921 -11.285 9.113 1.00 . A A . 10 LYS CA 1 1 31 36805 1 1 10 LYS CB C 5.552 -10.892 9.692 1.00 . A A . 10 LYS CB 1 1 31 36806 1 1 10 LYS CD C 3.359 -10.848 8.412 1.00 . A A . 10 LYS CD 1 1 31 36807 1 1 10 LYS CE C 3.670 -12.074 7.545 1.00 . A A . 10 LYS CE 1 1 31 36808 1 1 10 LYS CG C 4.641 -10.076 8.765 1.00 . A A . 10 LYS CG 1 1 31 36809 1 1 10 LYS H H 7.616 -9.315 9.628 1.00 . A A . 10 LYS H 1 1 31 36810 1 1 10 LYS HA H 7.232 -12.128 9.725 1.00 . A A . 10 LYS HA 1 1 31 36811 1 1 10 LYS HB2 H 5.038 -11.807 9.984 1.00 . A A . 10 LYS HB2 1 1 31 36812 1 1 10 LYS HB3 H 5.719 -10.324 10.608 1.00 . A A . 10 LYS HB3 1 1 31 36813 1 1 10 LYS HD2 H 2.852 -11.156 9.326 1.00 . A A . 10 LYS HD2 1 1 31 36814 1 1 10 LYS HD3 H 2.698 -10.168 7.875 1.00 . A A . 10 LYS HD3 1 1 31 36815 1 1 10 LYS HE2 H 4.422 -11.797 6.812 1.00 . A A . 10 LYS HE2 1 1 31 36816 1 1 10 LYS HE3 H 4.074 -12.872 8.170 1.00 . A A . 10 LYS HE3 1 1 31 36817 1 1 10 LYS HG2 H 4.365 -9.159 9.281 1.00 . A A . 10 LYS HG2 1 1 31 36818 1 1 10 LYS HG3 H 5.159 -9.767 7.860 1.00 . A A . 10 LYS HG3 1 1 31 36819 1 1 10 LYS HZ1 H 2.060 -11.813 6.301 1.00 . A A . 10 LYS HZ1 1 1 31 36820 1 1 10 LYS HZ2 H 2.782 -13.257 6.114 1.00 . A A . 10 LYS HZ2 1 1 31 36821 1 1 10 LYS HZ3 H 1.812 -12.997 7.426 1.00 . A A . 10 LYS HZ3 1 1 31 36822 1 1 10 LYS N N 7.907 -10.225 9.290 1.00 . A A . 10 LYS N 1 1 31 36823 1 1 10 LYS NZ N 2.487 -12.569 6.814 1.00 . A A . 10 LYS NZ 1 1 31 36824 1 1 10 LYS O O 6.640 -13.036 7.516 1.00 . A A . 10 LYS O 1 1 31 36825 1 1 11 GLY C C 7.246 -10.213 4.396 1.00 . A A . 11 GLY C 1 1 31 36826 1 1 11 GLY CA C 7.225 -11.439 5.295 1.00 . A A . 11 GLY CA 1 1 31 36827 1 1 11 GLY H H 7.305 -10.022 6.884 1.00 . A A . 11 GLY H 1 1 31 36828 1 1 11 GLY HA2 H 8.124 -12.040 5.154 1.00 . A A . 11 GLY HA2 1 1 31 36829 1 1 11 GLY HA3 H 6.347 -12.033 5.043 1.00 . A A . 11 GLY HA3 1 1 31 36830 1 1 11 GLY N N 7.148 -11.007 6.681 1.00 . A A . 11 GLY N 1 1 31 36831 1 1 11 GLY O O 6.352 -9.374 4.518 1.00 . A A . 11 GLY O 1 1 31 36832 1 1 12 ASN C C 7.239 -8.365 2.101 1.00 . A A . 12 ASN C 1 1 31 36833 1 1 12 ASN CA C 8.527 -8.918 2.708 1.00 . A A . 12 ASN CA 1 1 31 36834 1 1 12 ASN CB C 9.539 -9.223 1.594 1.00 . A A . 12 ASN CB 1 1 31 36835 1 1 12 ASN CG C 10.907 -9.720 2.064 1.00 . A A . 12 ASN CG 1 1 31 36836 1 1 12 ASN H H 8.949 -10.839 3.512 1.00 . A A . 12 ASN H 1 1 31 36837 1 1 12 ASN HA H 8.957 -8.149 3.352 1.00 . A A . 12 ASN HA 1 1 31 36838 1 1 12 ASN HB2 H 9.109 -9.966 0.923 1.00 . A A . 12 ASN HB2 1 1 31 36839 1 1 12 ASN HB3 H 9.704 -8.310 1.020 1.00 . A A . 12 ASN HB3 1 1 31 36840 1 1 12 ASN HD21 H 10.728 -8.950 3.962 1.00 . A A . 12 ASN HD21 1 1 31 36841 1 1 12 ASN HD22 H 12.224 -9.768 3.582 1.00 . A A . 12 ASN HD22 1 1 31 36842 1 1 12 ASN N N 8.266 -10.095 3.537 1.00 . A A . 12 ASN N 1 1 31 36843 1 1 12 ASN ND2 N 11.302 -9.458 3.308 1.00 . A A . 12 ASN ND2 1 1 31 36844 1 1 12 ASN O O 6.522 -9.068 1.388 1.00 . A A . 12 ASN O 1 1 31 36845 1 1 12 ASN OD1 O 11.615 -10.371 1.304 1.00 . A A . 12 ASN OD1 1 1 31 36846 1 1 13 VAL C C 6.096 -5.779 0.670 1.00 . A A . 13 VAL C 1 1 31 36847 1 1 13 VAL CA C 5.750 -6.399 2.005 1.00 . A A . 13 VAL CA 1 1 31 36848 1 1 13 VAL CB C 5.402 -5.358 3.081 1.00 . A A . 13 VAL CB 1 1 31 36849 1 1 13 VAL CG1 C 4.655 -4.115 2.598 1.00 . A A . 13 VAL CG1 1 1 31 36850 1 1 13 VAL CG2 C 4.549 -6.040 4.148 1.00 . A A . 13 VAL CG2 1 1 31 36851 1 1 13 VAL H H 7.642 -6.564 2.929 1.00 . A A . 13 VAL H 1 1 31 36852 1 1 13 VAL HA H 4.907 -7.080 1.878 1.00 . A A . 13 VAL HA 1 1 31 36853 1 1 13 VAL HB H 6.320 -5.005 3.548 1.00 . A A . 13 VAL HB 1 1 31 36854 1 1 13 VAL HG11 H 5.248 -3.487 1.941 1.00 . A A . 13 VAL HG11 1 1 31 36855 1 1 13 VAL HG12 H 3.735 -4.407 2.090 1.00 . A A . 13 VAL HG12 1 1 31 36856 1 1 13 VAL HG13 H 4.454 -3.517 3.481 1.00 . A A . 13 VAL HG13 1 1 31 36857 1 1 13 VAL HG21 H 4.967 -7.016 4.358 1.00 . A A . 13 VAL HG21 1 1 31 36858 1 1 13 VAL HG22 H 4.560 -5.448 5.060 1.00 . A A . 13 VAL HG22 1 1 31 36859 1 1 13 VAL HG23 H 3.524 -6.168 3.799 1.00 . A A . 13 VAL HG23 1 1 31 36860 1 1 13 VAL N N 6.945 -7.107 2.428 1.00 . A A . 13 VAL N 1 1 31 36861 1 1 13 VAL O O 6.743 -4.733 0.639 1.00 . A A . 13 VAL O 1 1 31 36862 1 1 14 THR C C 4.733 -5.035 -2.065 1.00 . A A . 14 THR C 1 1 31 36863 1 1 14 THR CA C 5.952 -5.889 -1.748 1.00 . A A . 14 THR CA 1 1 31 36864 1 1 14 THR CB C 6.167 -7.013 -2.766 1.00 . A A . 14 THR CB 1 1 31 36865 1 1 14 THR CG2 C 6.584 -6.464 -4.133 1.00 . A A . 14 THR CG2 1 1 31 36866 1 1 14 THR H H 5.148 -7.267 -0.331 1.00 . A A . 14 THR H 1 1 31 36867 1 1 14 THR HA H 6.849 -5.271 -1.752 1.00 . A A . 14 THR HA 1 1 31 36868 1 1 14 THR HB H 5.241 -7.577 -2.877 1.00 . A A . 14 THR HB 1 1 31 36869 1 1 14 THR HG1 H 6.998 -8.123 -1.394 1.00 . A A . 14 THR HG1 1 1 31 36870 1 1 14 THR HG21 H 6.774 -7.296 -4.813 1.00 . A A . 14 THR HG21 1 1 31 36871 1 1 14 THR HG22 H 5.792 -5.842 -4.551 1.00 . A A . 14 THR HG22 1 1 31 36872 1 1 14 THR HG23 H 7.495 -5.871 -4.038 1.00 . A A . 14 THR HG23 1 1 31 36873 1 1 14 THR N N 5.739 -6.447 -0.425 1.00 . A A . 14 THR N 1 1 31 36874 1 1 14 THR O O 3.608 -5.519 -1.946 1.00 . A A . 14 THR O 1 1 31 36875 1 1 14 THR OG1 O 7.198 -7.862 -2.297 1.00 . A A . 14 THR OG1 1 1 31 36876 1 1 15 PHE C C 4.247 -2.222 -4.141 1.00 . A A . 15 PHE C 1 1 31 36877 1 1 15 PHE CA C 3.859 -2.889 -2.828 1.00 . A A . 15 PHE CA 1 1 31 36878 1 1 15 PHE CB C 3.492 -1.898 -1.718 1.00 . A A . 15 PHE CB 1 1 31 36879 1 1 15 PHE CD1 C 5.614 -1.375 -0.482 1.00 . A A . 15 PHE CD1 1 1 31 36880 1 1 15 PHE CD2 C 4.510 0.405 -1.736 1.00 . A A . 15 PHE CD2 1 1 31 36881 1 1 15 PHE CE1 C 6.617 -0.479 -0.095 1.00 . A A . 15 PHE CE1 1 1 31 36882 1 1 15 PHE CE2 C 5.490 1.313 -1.307 1.00 . A A . 15 PHE CE2 1 1 31 36883 1 1 15 PHE CG C 4.571 -0.934 -1.311 1.00 . A A . 15 PHE CG 1 1 31 36884 1 1 15 PHE CZ C 6.536 0.866 -0.484 1.00 . A A . 15 PHE CZ 1 1 31 36885 1 1 15 PHE H H 5.888 -3.397 -2.492 1.00 . A A . 15 PHE H 1 1 31 36886 1 1 15 PHE HA H 2.958 -3.478 -3.015 1.00 . A A . 15 PHE HA 1 1 31 36887 1 1 15 PHE HB2 H 2.616 -1.325 -2.019 1.00 . A A . 15 PHE HB2 1 1 31 36888 1 1 15 PHE HB3 H 3.240 -2.460 -0.826 1.00 . A A . 15 PHE HB3 1 1 31 36889 1 1 15 PHE HD1 H 5.675 -2.407 -0.174 1.00 . A A . 15 PHE HD1 1 1 31 36890 1 1 15 PHE HD2 H 3.754 0.725 -2.439 1.00 . A A . 15 PHE HD2 1 1 31 36891 1 1 15 PHE HE1 H 7.458 -0.833 0.481 1.00 . A A . 15 PHE HE1 1 1 31 36892 1 1 15 PHE HE2 H 5.512 2.311 -1.719 1.00 . A A . 15 PHE HE2 1 1 31 36893 1 1 15 PHE HZ H 7.337 1.529 -0.227 1.00 . A A . 15 PHE HZ 1 1 31 36894 1 1 15 PHE N N 4.940 -3.764 -2.416 1.00 . A A . 15 PHE N 1 1 31 36895 1 1 15 PHE O O 5.315 -1.619 -4.276 1.00 . A A . 15 PHE O 1 1 31 36896 1 1 16 ASP C C 3.170 -0.291 -6.265 1.00 . A A . 16 ASP C 1 1 31 36897 1 1 16 ASP CA C 3.512 -1.773 -6.435 1.00 . A A . 16 ASP CA 1 1 31 36898 1 1 16 ASP CB C 2.613 -2.501 -7.450 1.00 . A A . 16 ASP CB 1 1 31 36899 1 1 16 ASP CG C 2.382 -3.975 -7.135 1.00 . A A . 16 ASP CG 1 1 31 36900 1 1 16 ASP H H 2.574 -3.003 -5.020 1.00 . A A . 16 ASP H 1 1 31 36901 1 1 16 ASP HA H 4.544 -1.879 -6.762 1.00 . A A . 16 ASP HA 1 1 31 36902 1 1 16 ASP HB2 H 1.629 -2.046 -7.474 1.00 . A A . 16 ASP HB2 1 1 31 36903 1 1 16 ASP HB3 H 3.077 -2.438 -8.433 1.00 . A A . 16 ASP HB3 1 1 31 36904 1 1 16 ASP N N 3.381 -2.388 -5.134 1.00 . A A . 16 ASP N 1 1 31 36905 1 1 16 ASP O O 2.367 0.069 -5.407 1.00 . A A . 16 ASP O 1 1 31 36906 1 1 16 ASP OD1 O 1.721 -4.215 -6.098 1.00 . A A . 16 ASP OD1 1 1 31 36907 1 1 16 ASP OD2 O 2.879 -4.813 -7.915 1.00 . A A . 16 ASP OD2 1 1 31 36908 1 1 17 HIS C C 3.553 2.803 -7.987 1.00 . A A . 17 HIS C 1 1 31 36909 1 1 17 HIS CA C 3.884 2.006 -6.729 1.00 . A A . 17 HIS CA 1 1 31 36910 1 1 17 HIS CB C 5.279 2.273 -6.155 1.00 . A A . 17 HIS CB 1 1 31 36911 1 1 17 HIS CD2 C 4.839 4.805 -5.871 1.00 . A A . 17 HIS CD2 1 1 31 36912 1 1 17 HIS CE1 C 6.643 5.334 -4.767 1.00 . A A . 17 HIS CE1 1 1 31 36913 1 1 17 HIS CG C 5.635 3.691 -5.793 1.00 . A A . 17 HIS CG 1 1 31 36914 1 1 17 HIS H H 4.437 0.215 -7.748 1.00 . A A . 17 HIS H 1 1 31 36915 1 1 17 HIS HA H 3.152 2.283 -5.969 1.00 . A A . 17 HIS HA 1 1 31 36916 1 1 17 HIS HB2 H 5.367 1.684 -5.241 1.00 . A A . 17 HIS HB2 1 1 31 36917 1 1 17 HIS HB3 H 6.022 1.899 -6.851 1.00 . A A . 17 HIS HB3 1 1 31 36918 1 1 17 HIS HD1 H 7.458 3.410 -4.693 1.00 . A A . 17 HIS HD1 1 1 31 36919 1 1 17 HIS HD2 H 3.839 4.847 -6.265 1.00 . A A . 17 HIS HD2 1 1 31 36920 1 1 17 HIS HE1 H 7.349 5.829 -4.133 1.00 . A A . 17 HIS HE1 1 1 31 36921 1 1 17 HIS N N 3.817 0.581 -7.040 1.00 . A A . 17 HIS N 1 1 31 36922 1 1 17 HIS ND1 N 6.755 4.037 -5.078 1.00 . A A . 17 HIS ND1 1 1 31 36923 1 1 17 HIS NE2 N 5.478 5.846 -5.190 1.00 . A A . 17 HIS NE2 1 1 31 36924 1 1 17 HIS O O 2.439 3.299 -8.123 1.00 . A A . 17 HIS O 1 1 31 36925 1 1 18 LYS C C 2.986 2.603 -10.818 1.00 . A A . 18 LYS C 1 1 31 36926 1 1 18 LYS CA C 4.243 3.302 -10.302 1.00 . A A . 18 LYS CA 1 1 31 36927 1 1 18 LYS CB C 5.497 2.981 -11.120 1.00 . A A . 18 LYS CB 1 1 31 36928 1 1 18 LYS CD C 4.754 1.423 -13.010 1.00 . A A . 18 LYS CD 1 1 31 36929 1 1 18 LYS CE C 5.176 0.896 -14.385 1.00 . A A . 18 LYS CE 1 1 31 36930 1 1 18 LYS CG C 5.335 2.794 -12.634 1.00 . A A . 18 LYS CG 1 1 31 36931 1 1 18 LYS H H 5.387 2.461 -8.728 1.00 . A A . 18 LYS H 1 1 31 36932 1 1 18 LYS HA H 4.083 4.379 -10.338 1.00 . A A . 18 LYS HA 1 1 31 36933 1 1 18 LYS HB2 H 6.220 3.777 -10.938 1.00 . A A . 18 LYS HB2 1 1 31 36934 1 1 18 LYS HB3 H 5.927 2.069 -10.725 1.00 . A A . 18 LYS HB3 1 1 31 36935 1 1 18 LYS HD2 H 5.032 0.695 -12.246 1.00 . A A . 18 LYS HD2 1 1 31 36936 1 1 18 LYS HD3 H 3.670 1.504 -13.052 1.00 . A A . 18 LYS HD3 1 1 31 36937 1 1 18 LYS HE2 H 4.488 0.090 -14.655 1.00 . A A . 18 LYS HE2 1 1 31 36938 1 1 18 LYS HE3 H 5.077 1.684 -15.136 1.00 . A A . 18 LYS HE3 1 1 31 36939 1 1 18 LYS HG2 H 4.748 3.600 -13.080 1.00 . A A . 18 LYS HG2 1 1 31 36940 1 1 18 LYS HG3 H 6.345 2.837 -13.017 1.00 . A A . 18 LYS HG3 1 1 31 36941 1 1 18 LYS HZ1 H 6.651 -0.296 -13.579 1.00 . A A . 18 LYS HZ1 1 1 31 36942 1 1 18 LYS HZ2 H 6.748 -0.148 -15.220 1.00 . A A . 18 LYS HZ2 1 1 31 36943 1 1 18 LYS HZ3 H 7.222 1.078 -14.222 1.00 . A A . 18 LYS HZ3 1 1 31 36944 1 1 18 LYS N N 4.492 2.876 -8.930 1.00 . A A . 18 LYS N 1 1 31 36945 1 1 18 LYS NZ N 6.546 0.347 -14.365 1.00 . A A . 18 LYS NZ 1 1 31 36946 1 1 18 LYS O O 2.074 3.239 -11.329 1.00 . A A . 18 LYS O 1 1 31 36947 1 1 19 ALA C C 0.459 1.160 -10.372 1.00 . A A . 19 ALA C 1 1 31 36948 1 1 19 ALA CA C 1.728 0.503 -10.933 1.00 . A A . 19 ALA CA 1 1 31 36949 1 1 19 ALA CB C 1.897 -0.865 -10.300 1.00 . A A . 19 ALA CB 1 1 31 36950 1 1 19 ALA H H 3.782 0.821 -10.373 1.00 . A A . 19 ALA H 1 1 31 36951 1 1 19 ALA HA H 1.626 0.381 -12.012 1.00 . A A . 19 ALA HA 1 1 31 36952 1 1 19 ALA HB1 H 2.023 -0.688 -9.236 1.00 . A A . 19 ALA HB1 1 1 31 36953 1 1 19 ALA HB2 H 1.008 -1.471 -10.474 1.00 . A A . 19 ALA HB2 1 1 31 36954 1 1 19 ALA HB3 H 2.776 -1.365 -10.706 1.00 . A A . 19 ALA HB3 1 1 31 36955 1 1 19 ALA N N 2.923 1.286 -10.643 1.00 . A A . 19 ALA N 1 1 31 36956 1 1 19 ALA O O -0.455 1.497 -11.120 1.00 . A A . 19 ALA O 1 1 31 36957 1 1 20 HIS C C -0.946 3.393 -9.025 1.00 . A A . 20 HIS C 1 1 31 36958 1 1 20 HIS CA C -0.749 1.995 -8.426 1.00 . A A . 20 HIS CA 1 1 31 36959 1 1 20 HIS CB C -0.597 2.051 -6.896 1.00 . A A . 20 HIS CB 1 1 31 36960 1 1 20 HIS CD2 C -1.670 0.567 -5.086 1.00 . A A . 20 HIS CD2 1 1 31 36961 1 1 20 HIS CE1 C -0.835 -1.381 -5.606 1.00 . A A . 20 HIS CE1 1 1 31 36962 1 1 20 HIS CG C -0.853 0.745 -6.171 1.00 . A A . 20 HIS CG 1 1 31 36963 1 1 20 HIS H H 1.218 1.178 -8.487 1.00 . A A . 20 HIS H 1 1 31 36964 1 1 20 HIS HA H -1.640 1.407 -8.648 1.00 . A A . 20 HIS HA 1 1 31 36965 1 1 20 HIS HB2 H 0.395 2.421 -6.631 1.00 . A A . 20 HIS HB2 1 1 31 36966 1 1 20 HIS HB3 H -1.334 2.765 -6.529 1.00 . A A . 20 HIS HB3 1 1 31 36967 1 1 20 HIS HD1 H 0.296 -0.676 -7.244 1.00 . A A . 20 HIS HD1 1 1 31 36968 1 1 20 HIS HD2 H -2.239 1.349 -4.615 1.00 . A A . 20 HIS HD2 1 1 31 36969 1 1 20 HIS HE1 H -0.623 -2.439 -5.627 1.00 . A A . 20 HIS HE1 1 1 31 36970 1 1 20 HIS N N 0.398 1.350 -9.049 1.00 . A A . 20 HIS N 1 1 31 36971 1 1 20 HIS ND1 N -0.337 -0.487 -6.485 1.00 . A A . 20 HIS ND1 1 1 31 36972 1 1 20 HIS NE2 N -1.670 -0.790 -4.733 1.00 . A A . 20 HIS NE2 1 1 31 36973 1 1 20 HIS O O -2.072 3.849 -9.184 1.00 . A A . 20 HIS O 1 1 31 36974 1 1 21 ALA C C -0.712 5.362 -11.293 1.00 . A A . 21 ALA C 1 1 31 36975 1 1 21 ALA CA C 0.059 5.406 -9.976 1.00 . A A . 21 ALA CA 1 1 31 36976 1 1 21 ALA CB C 1.455 6.000 -10.181 1.00 . A A . 21 ALA CB 1 1 31 36977 1 1 21 ALA H H 1.044 3.626 -9.272 1.00 . A A . 21 ALA H 1 1 31 36978 1 1 21 ALA HA H -0.480 6.057 -9.285 1.00 . A A . 21 ALA HA 1 1 31 36979 1 1 21 ALA HB1 H 2.042 5.918 -9.268 1.00 . A A . 21 ALA HB1 1 1 31 36980 1 1 21 ALA HB2 H 1.991 5.518 -10.989 1.00 . A A . 21 ALA HB2 1 1 31 36981 1 1 21 ALA HB3 H 1.340 7.038 -10.475 1.00 . A A . 21 ALA HB3 1 1 31 36982 1 1 21 ALA N N 0.139 4.079 -9.381 1.00 . A A . 21 ALA N 1 1 31 36983 1 1 21 ALA O O -1.705 6.048 -11.461 1.00 . A A . 21 ALA O 1 1 31 36984 1 1 22 GLU C C -2.284 3.936 -13.500 1.00 . A A . 22 GLU C 1 1 31 36985 1 1 22 GLU CA C -0.861 4.492 -13.572 1.00 . A A . 22 GLU CA 1 1 31 36986 1 1 22 GLU CB C 0.062 3.759 -14.562 1.00 . A A . 22 GLU CB 1 1 31 36987 1 1 22 GLU CD C 1.439 1.700 -15.111 1.00 . A A . 22 GLU CD 1 1 31 36988 1 1 22 GLU CG C 0.368 2.298 -14.207 1.00 . A A . 22 GLU CG 1 1 31 36989 1 1 22 GLU H H 0.459 3.922 -11.961 1.00 . A A . 22 GLU H 1 1 31 36990 1 1 22 GLU HA H -0.943 5.518 -13.936 1.00 . A A . 22 GLU HA 1 1 31 36991 1 1 22 GLU HB2 H -0.391 3.784 -15.554 1.00 . A A . 22 GLU HB2 1 1 31 36992 1 1 22 GLU HB3 H 1.008 4.302 -14.609 1.00 . A A . 22 GLU HB3 1 1 31 36993 1 1 22 GLU HG2 H 0.743 2.238 -13.193 1.00 . A A . 22 GLU HG2 1 1 31 36994 1 1 22 GLU HG3 H -0.539 1.701 -14.290 1.00 . A A . 22 GLU HG3 1 1 31 36995 1 1 22 GLU N N -0.274 4.547 -12.239 1.00 . A A . 22 GLU N 1 1 31 36996 1 1 22 GLU O O -3.179 4.424 -14.187 1.00 . A A . 22 GLU O 1 1 31 36997 1 1 22 GLU OE1 O 2.552 2.271 -15.137 1.00 . A A . 22 GLU OE1 1 1 31 36998 1 1 22 GLU OE2 O 1.140 0.662 -15.738 1.00 . A A . 22 GLU OE2 1 1 31 36999 1 1 23 LYS C C -4.779 3.383 -11.819 1.00 . A A . 23 LYS C 1 1 31 37000 1 1 23 LYS CA C -3.806 2.351 -12.400 1.00 . A A . 23 LYS CA 1 1 31 37001 1 1 23 LYS CB C -3.622 1.140 -11.477 1.00 . A A . 23 LYS CB 1 1 31 37002 1 1 23 LYS CD C -3.567 -0.841 -13.055 1.00 . A A . 23 LYS CD 1 1 31 37003 1 1 23 LYS CE C -3.970 -2.057 -12.217 1.00 . A A . 23 LYS CE 1 1 31 37004 1 1 23 LYS CG C -2.742 0.072 -12.151 1.00 . A A . 23 LYS CG 1 1 31 37005 1 1 23 LYS H H -1.710 2.499 -12.180 1.00 . A A . 23 LYS H 1 1 31 37006 1 1 23 LYS HA H -4.216 2.015 -13.353 1.00 . A A . 23 LYS HA 1 1 31 37007 1 1 23 LYS HB2 H -3.131 1.473 -10.563 1.00 . A A . 23 LYS HB2 1 1 31 37008 1 1 23 LYS HB3 H -4.592 0.721 -11.209 1.00 . A A . 23 LYS HB3 1 1 31 37009 1 1 23 LYS HD2 H -4.421 -0.277 -13.430 1.00 . A A . 23 LYS HD2 1 1 31 37010 1 1 23 LYS HD3 H -2.937 -1.143 -13.893 1.00 . A A . 23 LYS HD3 1 1 31 37011 1 1 23 LYS HE2 H -3.088 -2.670 -12.023 1.00 . A A . 23 LYS HE2 1 1 31 37012 1 1 23 LYS HE3 H -4.357 -1.704 -11.260 1.00 . A A . 23 LYS HE3 1 1 31 37013 1 1 23 LYS HG2 H -1.967 0.524 -12.769 1.00 . A A . 23 LYS HG2 1 1 31 37014 1 1 23 LYS HG3 H -2.233 -0.510 -11.381 1.00 . A A . 23 LYS HG3 1 1 31 37015 1 1 23 LYS HZ1 H -5.026 -2.941 -13.828 1.00 . A A . 23 LYS HZ1 1 1 31 37016 1 1 23 LYS HZ2 H -4.868 -3.852 -12.430 1.00 . A A . 23 LYS HZ2 1 1 31 37017 1 1 23 LYS HZ3 H -5.904 -2.688 -12.382 1.00 . A A . 23 LYS HZ3 1 1 31 37018 1 1 23 LYS N N -2.501 2.930 -12.648 1.00 . A A . 23 LYS N 1 1 31 37019 1 1 23 LYS NZ N -5.008 -2.914 -12.823 1.00 . A A . 23 LYS NZ 1 1 31 37020 1 1 23 LYS O O -5.861 3.576 -12.369 1.00 . A A . 23 LYS O 1 1 31 37021 1 1 24 LEU C C -5.178 6.367 -10.591 1.00 . A A . 24 LEU C 1 1 31 37022 1 1 24 LEU CA C -5.311 4.953 -10.013 1.00 . A A . 24 LEU CA 1 1 31 37023 1 1 24 LEU CB C -5.000 4.997 -8.513 1.00 . A A . 24 LEU CB 1 1 31 37024 1 1 24 LEU CD1 C -6.857 3.703 -7.370 1.00 . A A . 24 LEU CD1 1 1 31 37025 1 1 24 LEU CD2 C -4.854 2.411 -8.143 1.00 . A A . 24 LEU CD2 1 1 31 37026 1 1 24 LEU CG C -5.351 3.771 -7.652 1.00 . A A . 24 LEU CG 1 1 31 37027 1 1 24 LEU H H -3.545 3.807 -10.245 1.00 . A A . 24 LEU H 1 1 31 37028 1 1 24 LEU HA H -6.348 4.637 -10.130 1.00 . A A . 24 LEU HA 1 1 31 37029 1 1 24 LEU HB2 H -3.950 5.245 -8.366 1.00 . A A . 24 LEU HB2 1 1 31 37030 1 1 24 LEU HB3 H -5.591 5.824 -8.123 1.00 . A A . 24 LEU HB3 1 1 31 37031 1 1 24 LEU HD11 H -7.405 3.518 -8.293 1.00 . A A . 24 LEU HD11 1 1 31 37032 1 1 24 LEU HD12 H -7.062 2.897 -6.665 1.00 . A A . 24 LEU HD12 1 1 31 37033 1 1 24 LEU HD13 H -7.195 4.641 -6.929 1.00 . A A . 24 LEU HD13 1 1 31 37034 1 1 24 LEU HD21 H -5.084 1.659 -7.390 1.00 . A A . 24 LEU HD21 1 1 31 37035 1 1 24 LEU HD22 H -5.336 2.134 -9.080 1.00 . A A . 24 LEU HD22 1 1 31 37036 1 1 24 LEU HD23 H -3.775 2.436 -8.261 1.00 . A A . 24 LEU HD23 1 1 31 37037 1 1 24 LEU HG H -4.832 3.941 -6.716 1.00 . A A . 24 LEU HG 1 1 31 37038 1 1 24 LEU N N -4.430 4.016 -10.693 1.00 . A A . 24 LEU N 1 1 31 37039 1 1 24 LEU O O -6.173 6.949 -11.017 1.00 . A A . 24 LEU O 1 1 31 37040 1 1 25 GLY C C -2.418 8.783 -10.297 1.00 . A A . 25 GLY C 1 1 31 37041 1 1 25 GLY CA C -3.720 8.321 -10.949 1.00 . A A . 25 GLY CA 1 1 31 37042 1 1 25 GLY H H -3.126 6.397 -10.377 1.00 . A A . 25 GLY H 1 1 31 37043 1 1 25 GLY HA2 H -3.616 8.365 -12.034 1.00 . A A . 25 GLY HA2 1 1 31 37044 1 1 25 GLY HA3 H -4.540 8.971 -10.641 1.00 . A A . 25 GLY HA3 1 1 31 37045 1 1 25 GLY N N -3.972 6.946 -10.555 1.00 . A A . 25 GLY N 1 1 31 37046 1 1 25 GLY O O -1.358 8.729 -10.916 1.00 . A A . 25 GLY O 1 1 31 37047 1 1 26 CYS C C -1.931 10.132 -6.857 1.00 . A A . 26 CYS C 1 1 31 37048 1 1 26 CYS CA C -1.373 9.643 -8.192 1.00 . A A . 26 CYS CA 1 1 31 37049 1 1 26 CYS CB C -0.556 10.758 -8.832 1.00 . A A . 26 CYS CB 1 1 31 37050 1 1 26 CYS H H -3.446 9.231 -8.632 1.00 . A A . 26 CYS H 1 1 31 37051 1 1 26 CYS HA H -0.757 8.768 -8.004 1.00 . A A . 26 CYS HA 1 1 31 37052 1 1 26 CYS HB2 H -0.482 10.673 -9.911 1.00 . A A . 26 CYS HB2 1 1 31 37053 1 1 26 CYS HB3 H -1.015 11.726 -8.630 1.00 . A A . 26 CYS HB3 1 1 31 37054 1 1 26 CYS N N -2.501 9.219 -9.036 1.00 . A A . 26 CYS N 1 1 31 37055 1 1 26 CYS O O -1.545 9.673 -5.777 1.00 . A A . 26 CYS O 1 1 31 37056 1 1 26 CYS SG S 1.134 10.788 -8.172 1.00 . A A . 26 CYS SG 1 1 31 37057 1 1 27 ASP C C -4.200 10.470 -4.987 1.00 . A A . 27 ASP C 1 1 31 37058 1 1 27 ASP CA C -3.894 11.511 -6.057 1.00 . A A . 27 ASP CA 1 1 31 37059 1 1 27 ASP CB C -5.174 11.855 -6.843 1.00 . A A . 27 ASP CB 1 1 31 37060 1 1 27 ASP CG C -5.762 10.696 -7.661 1.00 . A A . 27 ASP CG 1 1 31 37061 1 1 27 ASP H H -3.243 11.056 -7.966 1.00 . A A . 27 ASP H 1 1 31 37062 1 1 27 ASP HA H -3.515 12.414 -5.581 1.00 . A A . 27 ASP HA 1 1 31 37063 1 1 27 ASP HB2 H -5.926 12.188 -6.125 1.00 . A A . 27 ASP HB2 1 1 31 37064 1 1 27 ASP HB3 H -4.965 12.679 -7.524 1.00 . A A . 27 ASP HB3 1 1 31 37065 1 1 27 ASP N N -2.911 11.024 -7.011 1.00 . A A . 27 ASP N 1 1 31 37066 1 1 27 ASP O O -4.205 10.765 -3.795 1.00 . A A . 27 ASP O 1 1 31 37067 1 1 27 ASP OD1 O -4.971 9.800 -8.058 1.00 . A A . 27 ASP OD1 1 1 31 37068 1 1 27 ASP OD2 O -6.989 10.722 -7.871 1.00 . A A . 27 ASP OD2 1 1 31 37069 1 1 28 ALA C C -3.936 7.952 -3.404 1.00 . A A . 28 ALA C 1 1 31 37070 1 1 28 ALA CA C -4.715 8.040 -4.714 1.00 . A A . 28 ALA CA 1 1 31 37071 1 1 28 ALA CB C -4.368 6.861 -5.617 1.00 . A A . 28 ALA CB 1 1 31 37072 1 1 28 ALA H H -4.448 9.190 -6.476 1.00 . A A . 28 ALA H 1 1 31 37073 1 1 28 ALA HA H -5.784 8.036 -4.512 1.00 . A A . 28 ALA HA 1 1 31 37074 1 1 28 ALA HB1 H -4.791 5.947 -5.214 1.00 . A A . 28 ALA HB1 1 1 31 37075 1 1 28 ALA HB2 H -4.786 7.051 -6.600 1.00 . A A . 28 ALA HB2 1 1 31 37076 1 1 28 ALA HB3 H -3.287 6.750 -5.708 1.00 . A A . 28 ALA HB3 1 1 31 37077 1 1 28 ALA N N -4.432 9.247 -5.460 1.00 . A A . 28 ALA N 1 1 31 37078 1 1 28 ALA O O -4.481 7.524 -2.389 1.00 . A A . 28 ALA O 1 1 31 37079 1 1 29 CYS C C -1.160 9.748 -2.116 1.00 . A A . 29 CYS C 1 1 31 37080 1 1 29 CYS CA C -1.769 8.355 -2.300 1.00 . A A . 29 CYS CA 1 1 31 37081 1 1 29 CYS CB C -0.694 7.315 -2.465 1.00 . A A . 29 CYS CB 1 1 31 37082 1 1 29 CYS H H -2.315 8.670 -4.350 1.00 . A A . 29 CYS H 1 1 31 37083 1 1 29 CYS HA H -2.326 8.121 -1.391 1.00 . A A . 29 CYS HA 1 1 31 37084 1 1 29 CYS HB2 H -0.052 7.627 -3.289 1.00 . A A . 29 CYS HB2 1 1 31 37085 1 1 29 CYS HB3 H -0.098 7.265 -1.553 1.00 . A A . 29 CYS HB3 1 1 31 37086 1 1 29 CYS N N -2.656 8.329 -3.456 1.00 . A A . 29 CYS N 1 1 31 37087 1 1 29 CYS O O -1.066 10.239 -0.993 1.00 . A A . 29 CYS O 1 1 31 37088 1 1 29 CYS SG S -1.397 5.666 -2.814 1.00 . A A . 29 CYS SG 1 1 31 37089 1 1 30 HIS C C -1.076 12.738 -3.617 1.00 . A A . 30 HIS C 1 1 31 37090 1 1 30 HIS CA C -0.075 11.687 -3.164 1.00 . A A . 30 HIS CA 1 1 31 37091 1 1 30 HIS CB C 1.159 11.699 -4.063 1.00 . A A . 30 HIS CB 1 1 31 37092 1 1 30 HIS CD2 C 2.568 9.622 -4.385 1.00 . A A . 30 HIS CD2 1 1 31 37093 1 1 30 HIS CE1 C 3.952 9.775 -2.708 1.00 . A A . 30 HIS CE1 1 1 31 37094 1 1 30 HIS CG C 2.198 10.701 -3.653 1.00 . A A . 30 HIS CG 1 1 31 37095 1 1 30 HIS H H -0.890 9.991 -4.124 1.00 . A A . 30 HIS H 1 1 31 37096 1 1 30 HIS HA H 0.259 11.931 -2.155 1.00 . A A . 30 HIS HA 1 1 31 37097 1 1 30 HIS HB2 H 0.845 11.497 -5.089 1.00 . A A . 30 HIS HB2 1 1 31 37098 1 1 30 HIS HB3 H 1.592 12.700 -4.052 1.00 . A A . 30 HIS HB3 1 1 31 37099 1 1 30 HIS HD1 H 3.035 11.534 -1.912 1.00 . A A . 30 HIS HD1 1 1 31 37100 1 1 30 HIS HD2 H 2.094 9.306 -5.287 1.00 . A A . 30 HIS HD2 1 1 31 37101 1 1 30 HIS HE1 H 4.792 9.563 -2.065 1.00 . A A . 30 HIS HE1 1 1 31 37102 1 1 30 HIS N N -0.714 10.384 -3.205 1.00 . A A . 30 HIS N 1 1 31 37103 1 1 30 HIS ND1 N 3.061 10.791 -2.591 1.00 . A A . 30 HIS ND1 1 1 31 37104 1 1 30 HIS NE2 N 3.692 9.045 -3.802 1.00 . A A . 30 HIS NE2 1 1 31 37105 1 1 30 HIS O O -1.100 13.115 -4.786 1.00 . A A . 30 HIS O 1 1 31 37106 1 1 31 GLU C C -2.071 15.527 -3.415 1.00 . A A . 31 GLU C 1 1 31 37107 1 1 31 GLU CA C -2.828 14.301 -2.918 1.00 . A A . 31 GLU CA 1 1 31 37108 1 1 31 GLU CB C -3.585 14.661 -1.632 1.00 . A A . 31 GLU CB 1 1 31 37109 1 1 31 GLU CD C -5.115 13.736 0.145 1.00 . A A . 31 GLU CD 1 1 31 37110 1 1 31 GLU CG C -4.010 13.416 -0.855 1.00 . A A . 31 GLU CG 1 1 31 37111 1 1 31 GLU H H -1.788 12.820 -1.747 1.00 . A A . 31 GLU H 1 1 31 37112 1 1 31 GLU HA H -3.544 13.975 -3.675 1.00 . A A . 31 GLU HA 1 1 31 37113 1 1 31 GLU HB2 H -2.992 15.285 -0.963 1.00 . A A . 31 GLU HB2 1 1 31 37114 1 1 31 GLU HB3 H -4.476 15.225 -1.915 1.00 . A A . 31 GLU HB3 1 1 31 37115 1 1 31 GLU HG2 H -4.348 12.688 -1.586 1.00 . A A . 31 GLU HG2 1 1 31 37116 1 1 31 GLU HG3 H -3.173 12.999 -0.299 1.00 . A A . 31 GLU HG3 1 1 31 37117 1 1 31 GLU N N -1.875 13.223 -2.670 1.00 . A A . 31 GLU N 1 1 31 37118 1 1 31 GLU O O -2.407 16.142 -4.425 1.00 . A A . 31 GLU O 1 1 31 37119 1 1 31 GLU OE1 O -5.058 14.853 0.706 1.00 . A A . 31 GLU OE1 1 1 31 37120 1 1 31 GLU OE2 O -5.992 12.868 0.332 1.00 . A A . 31 GLU OE2 1 1 31 37121 1 1 32 GLY C C 1.267 16.336 -3.277 1.00 . A A . 32 GLY C 1 1 31 37122 1 1 32 GLY CA C -0.097 16.922 -2.919 1.00 . A A . 32 GLY CA 1 1 31 37123 1 1 32 GLY H H -0.886 15.261 -1.847 1.00 . A A . 32 GLY H 1 1 31 37124 1 1 32 GLY HA2 H -0.437 17.551 -3.743 1.00 . A A . 32 GLY HA2 1 1 31 37125 1 1 32 GLY HA3 H -0.013 17.539 -2.024 1.00 . A A . 32 GLY HA3 1 1 31 37126 1 1 32 GLY N N -1.042 15.862 -2.642 1.00 . A A . 32 GLY N 1 1 31 37127 1 1 32 GLY O O 1.377 15.249 -3.839 1.00 . A A . 32 GLY O 1 1 31 37128 1 1 33 THR C C 4.188 15.469 -2.795 1.00 . A A . 33 THR C 1 1 31 37129 1 1 33 THR CA C 3.673 16.793 -3.392 1.00 . A A . 33 THR CA 1 1 31 37130 1 1 33 THR CB C 4.590 17.994 -3.093 1.00 . A A . 33 THR CB 1 1 31 37131 1 1 33 THR CG2 C 4.701 18.337 -1.602 1.00 . A A . 33 THR CG2 1 1 31 37132 1 1 33 THR H H 2.141 17.913 -2.407 1.00 . A A . 33 THR H 1 1 31 37133 1 1 33 THR HA H 3.610 16.720 -4.477 1.00 . A A . 33 THR HA 1 1 31 37134 1 1 33 THR HB H 4.185 18.868 -3.605 1.00 . A A . 33 THR HB 1 1 31 37135 1 1 33 THR HG1 H 5.860 17.729 -4.557 1.00 . A A . 33 THR HG1 1 1 31 37136 1 1 33 THR HG21 H 5.165 17.517 -1.055 1.00 . A A . 33 THR HG21 1 1 31 37137 1 1 33 THR HG22 H 5.325 19.225 -1.488 1.00 . A A . 33 THR HG22 1 1 31 37138 1 1 33 THR HG23 H 3.721 18.545 -1.175 1.00 . A A . 33 THR HG23 1 1 31 37139 1 1 33 THR N N 2.317 17.085 -2.951 1.00 . A A . 33 THR N 1 1 31 37140 1 1 33 THR O O 4.074 15.258 -1.587 1.00 . A A . 33 THR O 1 1 31 37141 1 1 33 THR OG1 O 5.889 17.767 -3.598 1.00 . A A . 33 THR OG1 1 1 31 37142 1 1 34 PRO C C 6.747 13.590 -2.572 1.00 . A A . 34 PRO C 1 1 31 37143 1 1 34 PRO CA C 5.347 13.327 -3.132 1.00 . A A . 34 PRO CA 1 1 31 37144 1 1 34 PRO CB C 5.416 12.411 -4.345 1.00 . A A . 34 PRO CB 1 1 31 37145 1 1 34 PRO CD C 4.765 14.607 -5.066 1.00 . A A . 34 PRO CD 1 1 31 37146 1 1 34 PRO CG C 5.533 13.366 -5.520 1.00 . A A . 34 PRO CG 1 1 31 37147 1 1 34 PRO HA H 4.730 12.837 -2.389 1.00 . A A . 34 PRO HA 1 1 31 37148 1 1 34 PRO HB2 H 6.255 11.727 -4.262 1.00 . A A . 34 PRO HB2 1 1 31 37149 1 1 34 PRO HB3 H 4.488 11.858 -4.466 1.00 . A A . 34 PRO HB3 1 1 31 37150 1 1 34 PRO HD2 H 5.268 15.500 -5.436 1.00 . A A . 34 PRO HD2 1 1 31 37151 1 1 34 PRO HD3 H 3.742 14.558 -5.445 1.00 . A A . 34 PRO HD3 1 1 31 37152 1 1 34 PRO HG2 H 6.581 13.614 -5.677 1.00 . A A . 34 PRO HG2 1 1 31 37153 1 1 34 PRO HG3 H 5.091 12.919 -6.405 1.00 . A A . 34 PRO HG3 1 1 31 37154 1 1 34 PRO N N 4.741 14.557 -3.612 1.00 . A A . 34 PRO N 1 1 31 37155 1 1 34 PRO O O 7.589 14.167 -3.258 1.00 . A A . 34 PRO O 1 1 31 37156 1 1 35 ALA C C 8.483 12.088 0.286 1.00 . A A . 35 ALA C 1 1 31 37157 1 1 35 ALA CA C 8.325 13.238 -0.712 1.00 . A A . 35 ALA CA 1 1 31 37158 1 1 35 ALA CB C 8.442 14.614 -0.047 1.00 . A A . 35 ALA CB 1 1 31 37159 1 1 35 ALA H H 6.284 12.682 -0.813 1.00 . A A . 35 ALA H 1 1 31 37160 1 1 35 ALA HA H 9.114 13.146 -1.460 1.00 . A A . 35 ALA HA 1 1 31 37161 1 1 35 ALA HB1 H 7.665 14.729 0.710 1.00 . A A . 35 ALA HB1 1 1 31 37162 1 1 35 ALA HB2 H 9.422 14.715 0.423 1.00 . A A . 35 ALA HB2 1 1 31 37163 1 1 35 ALA HB3 H 8.328 15.395 -0.800 1.00 . A A . 35 ALA HB3 1 1 31 37164 1 1 35 ALA N N 7.016 13.126 -1.348 1.00 . A A . 35 ALA N 1 1 31 37165 1 1 35 ALA O O 8.730 12.306 1.469 1.00 . A A . 35 ALA O 1 1 31 37166 1 1 36 LYS C C 6.748 9.763 1.380 1.00 . A A . 36 LYS C 1 1 31 37167 1 1 36 LYS CA C 8.043 9.661 0.570 1.00 . A A . 36 LYS CA 1 1 31 37168 1 1 36 LYS CB C 9.261 9.238 1.405 1.00 . A A . 36 LYS CB 1 1 31 37169 1 1 36 LYS CD C 11.589 8.236 1.239 1.00 . A A . 36 LYS CD 1 1 31 37170 1 1 36 LYS CE C 11.283 6.730 1.195 1.00 . A A . 36 LYS CE 1 1 31 37171 1 1 36 LYS CG C 10.495 9.023 0.512 1.00 . A A . 36 LYS CG 1 1 31 37172 1 1 36 LYS H H 8.188 10.769 -1.208 1.00 . A A . 36 LYS H 1 1 31 37173 1 1 36 LYS HA H 7.860 8.871 -0.147 1.00 . A A . 36 LYS HA 1 1 31 37174 1 1 36 LYS HB2 H 9.485 9.988 2.163 1.00 . A A . 36 LYS HB2 1 1 31 37175 1 1 36 LYS HB3 H 9.010 8.312 1.919 1.00 . A A . 36 LYS HB3 1 1 31 37176 1 1 36 LYS HD2 H 12.552 8.435 0.759 1.00 . A A . 36 LYS HD2 1 1 31 37177 1 1 36 LYS HD3 H 11.646 8.583 2.272 1.00 . A A . 36 LYS HD3 1 1 31 37178 1 1 36 LYS HE2 H 11.721 6.266 2.070 1.00 . A A . 36 LYS HE2 1 1 31 37179 1 1 36 LYS HE3 H 10.211 6.557 1.239 1.00 . A A . 36 LYS HE3 1 1 31 37180 1 1 36 LYS HG2 H 10.224 8.468 -0.381 1.00 . A A . 36 LYS HG2 1 1 31 37181 1 1 36 LYS HG3 H 10.891 9.995 0.210 1.00 . A A . 36 LYS HG3 1 1 31 37182 1 1 36 LYS HZ1 H 11.811 6.725 -0.808 1.00 . A A . 36 LYS HZ1 1 1 31 37183 1 1 36 LYS HZ2 H 12.770 5.783 0.078 1.00 . A A . 36 LYS HZ2 1 1 31 37184 1 1 36 LYS HZ3 H 11.234 5.302 -0.332 1.00 . A A . 36 LYS HZ3 1 1 31 37185 1 1 36 LYS N N 8.299 10.860 -0.213 1.00 . A A . 36 LYS N 1 1 31 37186 1 1 36 LYS NZ N 11.816 6.081 -0.021 1.00 . A A . 36 LYS NZ 1 1 31 37187 1 1 36 LYS O O 6.181 10.841 1.546 1.00 . A A . 36 LYS O 1 1 31 37188 1 1 37 ILE C C 5.582 7.742 4.008 1.00 . A A . 37 ILE C 1 1 31 37189 1 1 37 ILE CA C 5.136 8.526 2.778 1.00 . A A . 37 ILE CA 1 1 31 37190 1 1 37 ILE CB C 3.879 7.907 2.136 1.00 . A A . 37 ILE CB 1 1 31 37191 1 1 37 ILE CD1 C 2.332 8.016 0.085 1.00 . A A . 37 ILE CD1 1 1 31 37192 1 1 37 ILE CG1 C 3.650 8.466 0.725 1.00 . A A . 37 ILE CG1 1 1 31 37193 1 1 37 ILE CG2 C 2.664 8.171 3.035 1.00 . A A . 37 ILE CG2 1 1 31 37194 1 1 37 ILE H H 6.711 7.755 1.539 1.00 . A A . 37 ILE H 1 1 31 37195 1 1 37 ILE HA H 4.881 9.521 3.124 1.00 . A A . 37 ILE HA 1 1 31 37196 1 1 37 ILE HB H 4.018 6.832 2.047 1.00 . A A . 37 ILE HB 1 1 31 37197 1 1 37 ILE HD11 H 2.337 8.268 -0.976 1.00 . A A . 37 ILE HD11 1 1 31 37198 1 1 37 ILE HD12 H 2.209 6.938 0.189 1.00 . A A . 37 ILE HD12 1 1 31 37199 1 1 37 ILE HD13 H 1.489 8.523 0.552 1.00 . A A . 37 ILE HD13 1 1 31 37200 1 1 37 ILE HG12 H 3.673 9.554 0.756 1.00 . A A . 37 ILE HG12 1 1 31 37201 1 1 37 ILE HG13 H 4.470 8.110 0.106 1.00 . A A . 37 ILE HG13 1 1 31 37202 1 1 37 ILE HG21 H 2.854 7.812 4.047 1.00 . A A . 37 ILE HG21 1 1 31 37203 1 1 37 ILE HG22 H 2.451 9.240 3.073 1.00 . A A . 37 ILE HG22 1 1 31 37204 1 1 37 ILE HG23 H 1.788 7.648 2.652 1.00 . A A . 37 ILE HG23 1 1 31 37205 1 1 37 ILE N N 6.252 8.607 1.832 1.00 . A A . 37 ILE N 1 1 31 37206 1 1 37 ILE O O 5.396 8.185 5.136 1.00 . A A . 37 ILE O 1 1 31 37207 1 1 38 ALA C C 5.514 4.930 5.389 1.00 . A A . 38 ALA C 1 1 31 37208 1 1 38 ALA CA C 6.692 5.619 4.707 1.00 . A A . 38 ALA CA 1 1 31 37209 1 1 38 ALA CB C 7.681 6.273 5.673 1.00 . A A . 38 ALA CB 1 1 31 37210 1 1 38 ALA H H 6.201 6.331 2.774 1.00 . A A . 38 ALA H 1 1 31 37211 1 1 38 ALA HA H 7.252 4.863 4.156 1.00 . A A . 38 ALA HA 1 1 31 37212 1 1 38 ALA HB1 H 7.181 6.974 6.339 1.00 . A A . 38 ALA HB1 1 1 31 37213 1 1 38 ALA HB2 H 8.164 5.502 6.273 1.00 . A A . 38 ALA HB2 1 1 31 37214 1 1 38 ALA HB3 H 8.429 6.802 5.083 1.00 . A A . 38 ALA HB3 1 1 31 37215 1 1 38 ALA N N 6.187 6.583 3.741 1.00 . A A . 38 ALA N 1 1 31 37216 1 1 38 ALA O O 5.109 5.280 6.495 1.00 . A A . 38 ALA O 1 1 31 37217 1 1 39 ILE C C 4.132 2.074 5.937 1.00 . A A . 39 ILE C 1 1 31 37218 1 1 39 ILE CA C 3.720 3.299 5.133 1.00 . A A . 39 ILE CA 1 1 31 37219 1 1 39 ILE CB C 2.772 3.054 3.960 1.00 . A A . 39 ILE CB 1 1 31 37220 1 1 39 ILE CD1 C 1.349 5.173 4.490 1.00 . A A . 39 ILE CD1 1 1 31 37221 1 1 39 ILE CG1 C 2.217 4.404 3.483 1.00 . A A . 39 ILE CG1 1 1 31 37222 1 1 39 ILE CG2 C 1.621 2.111 4.320 1.00 . A A . 39 ILE CG2 1 1 31 37223 1 1 39 ILE H H 5.328 3.671 3.796 1.00 . A A . 39 ILE H 1 1 31 37224 1 1 39 ILE HA H 3.177 3.936 5.828 1.00 . A A . 39 ILE HA 1 1 31 37225 1 1 39 ILE HB H 3.331 2.606 3.138 1.00 . A A . 39 ILE HB 1 1 31 37226 1 1 39 ILE HD11 H 0.621 4.517 4.963 1.00 . A A . 39 ILE HD11 1 1 31 37227 1 1 39 ILE HD12 H 1.965 5.647 5.255 1.00 . A A . 39 ILE HD12 1 1 31 37228 1 1 39 ILE HD13 H 0.805 5.956 3.963 1.00 . A A . 39 ILE HD13 1 1 31 37229 1 1 39 ILE HG12 H 3.027 5.049 3.145 1.00 . A A . 39 ILE HG12 1 1 31 37230 1 1 39 ILE HG13 H 1.596 4.179 2.632 1.00 . A A . 39 ILE HG13 1 1 31 37231 1 1 39 ILE HG21 H 0.817 2.201 3.591 1.00 . A A . 39 ILE HG21 1 1 31 37232 1 1 39 ILE HG22 H 1.976 1.082 4.302 1.00 . A A . 39 ILE HG22 1 1 31 37233 1 1 39 ILE HG23 H 1.237 2.348 5.311 1.00 . A A . 39 ILE HG23 1 1 31 37234 1 1 39 ILE N N 4.914 3.979 4.670 1.00 . A A . 39 ILE N 1 1 31 37235 1 1 39 ILE O O 4.195 0.948 5.449 1.00 . A A . 39 ILE O 1 1 31 37236 1 1 40 ASP C C 3.489 0.699 8.678 1.00 . A A . 40 ASP C 1 1 31 37237 1 1 40 ASP CA C 4.772 1.364 8.205 1.00 . A A . 40 ASP CA 1 1 31 37238 1 1 40 ASP CB C 5.442 2.009 9.429 1.00 . A A . 40 ASP CB 1 1 31 37239 1 1 40 ASP CG C 6.592 2.968 9.139 1.00 . A A . 40 ASP CG 1 1 31 37240 1 1 40 ASP H H 4.177 3.303 7.475 1.00 . A A . 40 ASP H 1 1 31 37241 1 1 40 ASP HA H 5.451 0.632 7.760 1.00 . A A . 40 ASP HA 1 1 31 37242 1 1 40 ASP HB2 H 4.686 2.542 10.001 1.00 . A A . 40 ASP HB2 1 1 31 37243 1 1 40 ASP HB3 H 5.843 1.213 10.059 1.00 . A A . 40 ASP HB3 1 1 31 37244 1 1 40 ASP N N 4.386 2.352 7.208 1.00 . A A . 40 ASP N 1 1 31 37245 1 1 40 ASP O O 2.424 1.306 8.557 1.00 . A A . 40 ASP O 1 1 31 37246 1 1 40 ASP OD1 O 7.192 2.867 8.047 1.00 . A A . 40 ASP OD1 1 1 31 37247 1 1 40 ASP OD2 O 6.854 3.785 10.049 1.00 . A A . 40 ASP OD2 1 1 31 37248 1 1 41 LYS C C 1.467 -0.294 10.559 1.00 . A A . 41 LYS C 1 1 31 37249 1 1 41 LYS CA C 2.469 -1.224 9.877 1.00 . A A . 41 LYS CA 1 1 31 37250 1 1 41 LYS CB C 2.988 -2.280 10.863 1.00 . A A . 41 LYS CB 1 1 31 37251 1 1 41 LYS CD C 4.188 -2.466 13.071 1.00 . A A . 41 LYS CD 1 1 31 37252 1 1 41 LYS CE C 5.540 -2.362 13.795 1.00 . A A . 41 LYS CE 1 1 31 37253 1 1 41 LYS CG C 4.286 -1.961 11.625 1.00 . A A . 41 LYS CG 1 1 31 37254 1 1 41 LYS H H 4.503 -0.933 9.311 1.00 . A A . 41 LYS H 1 1 31 37255 1 1 41 LYS HA H 1.937 -1.756 9.094 1.00 . A A . 41 LYS HA 1 1 31 37256 1 1 41 LYS HB2 H 2.188 -2.481 11.566 1.00 . A A . 41 LYS HB2 1 1 31 37257 1 1 41 LYS HB3 H 3.160 -3.194 10.308 1.00 . A A . 41 LYS HB3 1 1 31 37258 1 1 41 LYS HD2 H 3.462 -1.835 13.587 1.00 . A A . 41 LYS HD2 1 1 31 37259 1 1 41 LYS HD3 H 3.819 -3.493 13.090 1.00 . A A . 41 LYS HD3 1 1 31 37260 1 1 41 LYS HE2 H 6.074 -1.473 13.454 1.00 . A A . 41 LYS HE2 1 1 31 37261 1 1 41 LYS HE3 H 5.350 -2.255 14.866 1.00 . A A . 41 LYS HE3 1 1 31 37262 1 1 41 LYS HG2 H 5.117 -2.452 11.115 1.00 . A A . 41 LYS HG2 1 1 31 37263 1 1 41 LYS HG3 H 4.489 -0.891 11.642 1.00 . A A . 41 LYS HG3 1 1 31 37264 1 1 41 LYS HZ1 H 6.576 -3.829 12.636 1.00 . A A . 41 LYS HZ1 1 1 31 37265 1 1 41 LYS HZ2 H 7.299 -3.440 14.032 1.00 . A A . 41 LYS HZ2 1 1 31 37266 1 1 41 LYS HZ3 H 5.971 -4.386 13.995 1.00 . A A . 41 LYS HZ3 1 1 31 37267 1 1 41 LYS N N 3.583 -0.483 9.294 1.00 . A A . 41 LYS N 1 1 31 37268 1 1 41 LYS NZ N 6.391 -3.557 13.609 1.00 . A A . 41 LYS NZ 1 1 31 37269 1 1 41 LYS O O 0.259 -0.381 10.349 1.00 . A A . 41 LYS O 1 1 31 37270 1 1 42 LYS C C 0.255 2.357 11.317 1.00 . A A . 42 LYS C 1 1 31 37271 1 1 42 LYS CA C 1.325 1.620 12.133 1.00 . A A . 42 LYS CA 1 1 31 37272 1 1 42 LYS CB C 2.396 2.575 12.700 1.00 . A A . 42 LYS CB 1 1 31 37273 1 1 42 LYS CD C 3.534 3.390 14.761 1.00 . A A . 42 LYS CD 1 1 31 37274 1 1 42 LYS CE C 3.452 3.858 16.220 1.00 . A A . 42 LYS CE 1 1 31 37275 1 1 42 LYS CG C 2.195 2.900 14.182 1.00 . A A . 42 LYS CG 1 1 31 37276 1 1 42 LYS H H 3.026 0.586 11.393 1.00 . A A . 42 LYS H 1 1 31 37277 1 1 42 LYS HA H 0.803 1.075 12.918 1.00 . A A . 42 LYS HA 1 1 31 37278 1 1 42 LYS HB2 H 3.377 2.107 12.607 1.00 . A A . 42 LYS HB2 1 1 31 37279 1 1 42 LYS HB3 H 2.425 3.500 12.120 1.00 . A A . 42 LYS HB3 1 1 31 37280 1 1 42 LYS HD2 H 4.279 2.594 14.677 1.00 . A A . 42 LYS HD2 1 1 31 37281 1 1 42 LYS HD3 H 3.889 4.228 14.153 1.00 . A A . 42 LYS HD3 1 1 31 37282 1 1 42 LYS HE2 H 4.452 4.168 16.535 1.00 . A A . 42 LYS HE2 1 1 31 37283 1 1 42 LYS HE3 H 2.791 4.723 16.285 1.00 . A A . 42 LYS HE3 1 1 31 37284 1 1 42 LYS HG2 H 1.420 3.665 14.259 1.00 . A A . 42 LYS HG2 1 1 31 37285 1 1 42 LYS HG3 H 1.873 1.994 14.693 1.00 . A A . 42 LYS HG3 1 1 31 37286 1 1 42 LYS HZ1 H 2.026 2.543 16.903 1.00 . A A . 42 LYS HZ1 1 1 31 37287 1 1 42 LYS HZ2 H 3.568 1.983 17.068 1.00 . A A . 42 LYS HZ2 1 1 31 37288 1 1 42 LYS HZ3 H 2.995 3.138 18.087 1.00 . A A . 42 LYS HZ3 1 1 31 37289 1 1 42 LYS N N 2.019 0.605 11.365 1.00 . A A . 42 LYS N 1 1 31 37290 1 1 42 LYS NZ N 2.975 2.799 17.135 1.00 . A A . 42 LYS NZ 1 1 31 37291 1 1 42 LYS O O -0.849 2.580 11.810 1.00 . A A . 42 LYS O 1 1 31 37292 1 1 43 SER C C -0.996 2.260 8.279 1.00 . A A . 43 SER C 1 1 31 37293 1 1 43 SER CA C -0.334 3.343 9.136 1.00 . A A . 43 SER CA 1 1 31 37294 1 1 43 SER CB C 0.444 4.343 8.276 1.00 . A A . 43 SER CB 1 1 31 37295 1 1 43 SER H H 1.510 2.496 9.742 1.00 . A A . 43 SER H 1 1 31 37296 1 1 43 SER HA H -1.102 3.898 9.668 1.00 . A A . 43 SER HA 1 1 31 37297 1 1 43 SER HB2 H 1.199 3.833 7.675 1.00 . A A . 43 SER HB2 1 1 31 37298 1 1 43 SER HB3 H -0.245 4.856 7.608 1.00 . A A . 43 SER HB3 1 1 31 37299 1 1 43 SER HG H 0.445 5.709 9.674 1.00 . A A . 43 SER HG 1 1 31 37300 1 1 43 SER N N 0.585 2.732 10.082 1.00 . A A . 43 SER N 1 1 31 37301 1 1 43 SER O O -2.220 2.155 8.210 1.00 . A A . 43 SER O 1 1 31 37302 1 1 43 SER OG O 1.095 5.280 9.111 1.00 . A A . 43 SER OG 1 1 31 37303 1 1 44 ALA C C -1.650 -0.473 7.081 1.00 . A A . 44 ALA C 1 1 31 37304 1 1 44 ALA CA C -0.464 0.401 6.683 1.00 . A A . 44 ALA CA 1 1 31 37305 1 1 44 ALA CB C 0.792 -0.439 6.495 1.00 . A A . 44 ALA CB 1 1 31 37306 1 1 44 ALA H H 0.828 1.615 7.793 1.00 . A A . 44 ALA H 1 1 31 37307 1 1 44 ALA HA H -0.675 0.843 5.716 1.00 . A A . 44 ALA HA 1 1 31 37308 1 1 44 ALA HB1 H 0.648 -1.001 5.588 1.00 . A A . 44 ALA HB1 1 1 31 37309 1 1 44 ALA HB2 H 1.682 0.186 6.395 1.00 . A A . 44 ALA HB2 1 1 31 37310 1 1 44 ALA HB3 H 0.926 -1.130 7.320 1.00 . A A . 44 ALA HB3 1 1 31 37311 1 1 44 ALA N N -0.156 1.457 7.630 1.00 . A A . 44 ALA N 1 1 31 37312 1 1 44 ALA O O -2.568 -0.668 6.278 1.00 . A A . 44 ALA O 1 1 31 37313 1 1 45 HIS C C -3.802 -1.144 9.437 1.00 . A A . 45 HIS C 1 1 31 37314 1 1 45 HIS CA C -2.632 -1.915 8.815 1.00 . A A . 45 HIS CA 1 1 31 37315 1 1 45 HIS CB C -2.011 -2.908 9.816 1.00 . A A . 45 HIS CB 1 1 31 37316 1 1 45 HIS CD2 C -0.515 -4.681 8.679 1.00 . A A . 45 HIS CD2 1 1 31 37317 1 1 45 HIS CE1 C -1.955 -6.325 8.531 1.00 . A A . 45 HIS CE1 1 1 31 37318 1 1 45 HIS CG C -1.705 -4.257 9.214 1.00 . A A . 45 HIS CG 1 1 31 37319 1 1 45 HIS H H -0.860 -0.739 8.943 1.00 . A A . 45 HIS H 1 1 31 37320 1 1 45 HIS HA H -3.046 -2.493 7.989 1.00 . A A . 45 HIS HA 1 1 31 37321 1 1 45 HIS HB2 H -1.105 -2.499 10.261 1.00 . A A . 45 HIS HB2 1 1 31 37322 1 1 45 HIS HB3 H -2.715 -3.085 10.630 1.00 . A A . 45 HIS HB3 1 1 31 37323 1 1 45 HIS HD1 H -3.555 -5.294 9.434 1.00 . A A . 45 HIS HD1 1 1 31 37324 1 1 45 HIS HD2 H 0.388 -4.100 8.608 1.00 . A A . 45 HIS HD2 1 1 31 37325 1 1 45 HIS HE1 H -2.399 -7.280 8.316 1.00 . A A . 45 HIS HE1 1 1 31 37326 1 1 45 HIS N N -1.608 -1.011 8.305 1.00 . A A . 45 HIS N 1 1 31 37327 1 1 45 HIS ND1 N -2.596 -5.300 9.116 1.00 . A A . 45 HIS ND1 1 1 31 37328 1 1 45 HIS NE2 N -0.685 -6.001 8.241 1.00 . A A . 45 HIS NE2 1 1 31 37329 1 1 45 HIS O O -4.811 -1.760 9.774 1.00 . A A . 45 HIS O 1 1 31 37330 1 1 46 LYS C C -5.578 1.633 9.159 1.00 . A A . 46 LYS C 1 1 31 37331 1 1 46 LYS CA C -4.683 1.014 10.234 1.00 . A A . 46 LYS CA 1 1 31 37332 1 1 46 LYS CB C -3.984 2.043 11.137 1.00 . A A . 46 LYS CB 1 1 31 37333 1 1 46 LYS CD C -4.961 4.368 11.173 1.00 . A A . 46 LYS CD 1 1 31 37334 1 1 46 LYS CE C -6.048 5.306 11.712 1.00 . A A . 46 LYS CE 1 1 31 37335 1 1 46 LYS CG C -4.963 2.988 11.848 1.00 . A A . 46 LYS CG 1 1 31 37336 1 1 46 LYS H H -2.861 0.648 9.226 1.00 . A A . 46 LYS H 1 1 31 37337 1 1 46 LYS HA H -5.314 0.399 10.878 1.00 . A A . 46 LYS HA 1 1 31 37338 1 1 46 LYS HB2 H -3.439 1.483 11.899 1.00 . A A . 46 LYS HB2 1 1 31 37339 1 1 46 LYS HB3 H -3.256 2.620 10.568 1.00 . A A . 46 LYS HB3 1 1 31 37340 1 1 46 LYS HD2 H -3.984 4.828 11.345 1.00 . A A . 46 LYS HD2 1 1 31 37341 1 1 46 LYS HD3 H -5.081 4.261 10.098 1.00 . A A . 46 LYS HD3 1 1 31 37342 1 1 46 LYS HE2 H -5.940 5.410 12.793 1.00 . A A . 46 LYS HE2 1 1 31 37343 1 1 46 LYS HE3 H -5.907 6.288 11.256 1.00 . A A . 46 LYS HE3 1 1 31 37344 1 1 46 LYS HG2 H -5.955 2.535 11.855 1.00 . A A . 46 LYS HG2 1 1 31 37345 1 1 46 LYS HG3 H -4.633 3.110 12.882 1.00 . A A . 46 LYS HG3 1 1 31 37346 1 1 46 LYS HZ1 H -7.613 3.942 11.810 1.00 . A A . 46 LYS HZ1 1 1 31 37347 1 1 46 LYS HZ2 H -8.109 5.503 11.679 1.00 . A A . 46 LYS HZ2 1 1 31 37348 1 1 46 LYS HZ3 H -7.537 4.702 10.384 1.00 . A A . 46 LYS HZ3 1 1 31 37349 1 1 46 LYS N N -3.675 0.176 9.604 1.00 . A A . 46 LYS N 1 1 31 37350 1 1 46 LYS NZ N -7.412 4.835 11.388 1.00 . A A . 46 LYS NZ 1 1 31 37351 1 1 46 LYS O O -6.768 1.338 9.118 1.00 . A A . 46 LYS O 1 1 31 37352 1 1 47 ASP C C -4.619 3.529 6.152 1.00 . A A . 47 ASP C 1 1 31 37353 1 1 47 ASP CA C -5.678 3.085 7.156 1.00 . A A . 47 ASP CA 1 1 31 37354 1 1 47 ASP CB C -6.600 4.263 7.522 1.00 . A A . 47 ASP CB 1 1 31 37355 1 1 47 ASP CG C -8.008 3.848 7.923 1.00 . A A . 47 ASP CG 1 1 31 37356 1 1 47 ASP H H -4.005 2.626 8.364 1.00 . A A . 47 ASP H 1 1 31 37357 1 1 47 ASP HA H -6.281 2.319 6.677 1.00 . A A . 47 ASP HA 1 1 31 37358 1 1 47 ASP HB2 H -6.143 4.900 8.275 1.00 . A A . 47 ASP HB2 1 1 31 37359 1 1 47 ASP HB3 H -6.729 4.875 6.631 1.00 . A A . 47 ASP HB3 1 1 31 37360 1 1 47 ASP N N -5.009 2.488 8.302 1.00 . A A . 47 ASP N 1 1 31 37361 1 1 47 ASP O O -4.272 4.705 6.072 1.00 . A A . 47 ASP O 1 1 31 37362 1 1 47 ASP OD1 O -8.728 3.309 7.051 1.00 . A A . 47 ASP OD1 1 1 31 37363 1 1 47 ASP OD2 O -8.351 4.132 9.093 1.00 . A A . 47 ASP OD2 1 1 31 37364 1 1 48 ALA C C -3.601 1.673 3.181 1.00 . A A . 48 ALA C 1 1 31 37365 1 1 48 ALA CA C -3.442 2.871 4.113 1.00 . A A . 48 ALA CA 1 1 31 37366 1 1 48 ALA CB C -1.987 3.283 4.371 1.00 . A A . 48 ALA CB 1 1 31 37367 1 1 48 ALA H H -4.406 1.626 5.549 1.00 . A A . 48 ALA H 1 1 31 37368 1 1 48 ALA HA H -3.936 3.714 3.625 1.00 . A A . 48 ALA HA 1 1 31 37369 1 1 48 ALA HB1 H -1.417 3.240 3.443 1.00 . A A . 48 ALA HB1 1 1 31 37370 1 1 48 ALA HB2 H -1.964 4.306 4.746 1.00 . A A . 48 ALA HB2 1 1 31 37371 1 1 48 ALA HB3 H -1.524 2.647 5.120 1.00 . A A . 48 ALA HB3 1 1 31 37372 1 1 48 ALA N N -4.132 2.578 5.359 1.00 . A A . 48 ALA N 1 1 31 37373 1 1 48 ALA O O -4.439 1.698 2.279 1.00 . A A . 48 ALA O 1 1 31 37374 1 1 49 CYS C C -4.244 -1.352 2.984 1.00 . A A . 49 CYS C 1 1 31 37375 1 1 49 CYS CA C -2.970 -0.592 2.586 1.00 . A A . 49 CYS CA 1 1 31 37376 1 1 49 CYS CB C -1.733 -1.451 2.670 1.00 . A A . 49 CYS CB 1 1 31 37377 1 1 49 CYS H H -2.223 0.572 4.201 1.00 . A A . 49 CYS H 1 1 31 37378 1 1 49 CYS HA H -3.069 -0.276 1.547 1.00 . A A . 49 CYS HA 1 1 31 37379 1 1 49 CYS HB2 H -1.792 -1.998 3.600 1.00 . A A . 49 CYS HB2 1 1 31 37380 1 1 49 CYS HB3 H -1.728 -2.178 1.858 1.00 . A A . 49 CYS HB3 1 1 31 37381 1 1 49 CYS N N -2.853 0.595 3.415 1.00 . A A . 49 CYS N 1 1 31 37382 1 1 49 CYS O O -5.120 -1.579 2.147 1.00 . A A . 49 CYS O 1 1 31 37383 1 1 49 CYS SG S -0.137 -0.566 2.759 1.00 . A A . 49 CYS SG 1 1 31 37384 1 1 50 LYS C C -6.784 -1.455 4.884 1.00 . A A . 50 LYS C 1 1 31 37385 1 1 50 LYS CA C -5.619 -2.448 4.700 1.00 . A A . 50 LYS CA 1 1 31 37386 1 1 50 LYS CB C -5.307 -3.280 5.963 1.00 . A A . 50 LYS CB 1 1 31 37387 1 1 50 LYS CD C -6.480 -5.614 5.671 1.00 . A A . 50 LYS CD 1 1 31 37388 1 1 50 LYS CE C -7.523 -6.540 6.345 1.00 . A A . 50 LYS CE 1 1 31 37389 1 1 50 LYS CG C -6.403 -4.269 6.431 1.00 . A A . 50 LYS CG 1 1 31 37390 1 1 50 LYS H H -3.720 -1.467 4.955 1.00 . A A . 50 LYS H 1 1 31 37391 1 1 50 LYS HA H -5.911 -3.157 3.924 1.00 . A A . 50 LYS HA 1 1 31 37392 1 1 50 LYS HB2 H -4.384 -3.838 5.808 1.00 . A A . 50 LYS HB2 1 1 31 37393 1 1 50 LYS HB3 H -5.133 -2.572 6.776 1.00 . A A . 50 LYS HB3 1 1 31 37394 1 1 50 LYS HD2 H -6.759 -5.427 4.632 1.00 . A A . 50 LYS HD2 1 1 31 37395 1 1 50 LYS HD3 H -5.492 -6.079 5.698 1.00 . A A . 50 LYS HD3 1 1 31 37396 1 1 50 LYS HE2 H -7.312 -6.575 7.416 1.00 . A A . 50 LYS HE2 1 1 31 37397 1 1 50 LYS HE3 H -8.518 -6.112 6.212 1.00 . A A . 50 LYS HE3 1 1 31 37398 1 1 50 LYS HG2 H -6.175 -4.489 7.475 1.00 . A A . 50 LYS HG2 1 1 31 37399 1 1 50 LYS HG3 H -7.379 -3.784 6.413 1.00 . A A . 50 LYS HG3 1 1 31 37400 1 1 50 LYS HZ1 H -6.618 -8.374 5.892 1.00 . A A . 50 LYS HZ1 1 1 31 37401 1 1 50 LYS HZ2 H -8.150 -8.514 6.415 1.00 . A A . 50 LYS HZ2 1 1 31 37402 1 1 50 LYS HZ3 H -7.893 -8.041 4.902 1.00 . A A . 50 LYS HZ3 1 1 31 37403 1 1 50 LYS N N -4.415 -1.730 4.259 1.00 . A A . 50 LYS N 1 1 31 37404 1 1 50 LYS NZ N -7.531 -7.944 5.850 1.00 . A A . 50 LYS NZ 1 1 31 37405 1 1 50 LYS O O -7.399 -1.392 5.945 1.00 . A A . 50 LYS O 1 1 31 37406 1 1 51 THR C C -8.669 0.372 2.298 1.00 . A A . 51 THR C 1 1 31 37407 1 1 51 THR CA C -8.315 0.122 3.765 1.00 . A A . 51 THR CA 1 1 31 37408 1 1 51 THR CB C -8.200 1.396 4.625 1.00 . A A . 51 THR CB 1 1 31 37409 1 1 51 THR CG2 C -7.387 2.525 3.989 1.00 . A A . 51 THR CG2 1 1 31 37410 1 1 51 THR H H -6.579 -0.817 2.984 1.00 . A A . 51 THR H 1 1 31 37411 1 1 51 THR HA H -9.121 -0.477 4.187 1.00 . A A . 51 THR HA 1 1 31 37412 1 1 51 THR HB H -7.736 1.120 5.571 1.00 . A A . 51 THR HB 1 1 31 37413 1 1 51 THR HG1 H -9.304 2.559 5.665 1.00 . A A . 51 THR HG1 1 1 31 37414 1 1 51 THR HG21 H -7.296 3.351 4.693 1.00 . A A . 51 THR HG21 1 1 31 37415 1 1 51 THR HG22 H -6.393 2.166 3.740 1.00 . A A . 51 THR HG22 1 1 31 37416 1 1 51 THR HG23 H -7.879 2.904 3.093 1.00 . A A . 51 THR HG23 1 1 31 37417 1 1 51 THR N N -7.112 -0.693 3.836 1.00 . A A . 51 THR N 1 1 31 37418 1 1 51 THR O O -9.802 0.137 1.896 1.00 . A A . 51 THR O 1 1 31 37419 1 1 51 THR OG1 O -9.472 1.908 4.955 1.00 . A A . 51 THR OG1 1 1 31 37420 1 1 52 CYS C C -8.530 -0.290 -0.597 1.00 . A A . 52 CYS C 1 1 31 37421 1 1 52 CYS CA C -7.965 0.977 0.046 1.00 . A A . 52 CYS CA 1 1 31 37422 1 1 52 CYS CB C -6.698 1.371 -0.651 1.00 . A A . 52 CYS CB 1 1 31 37423 1 1 52 CYS H H -6.783 1.000 1.824 1.00 . A A . 52 CYS H 1 1 31 37424 1 1 52 CYS HA H -8.712 1.765 -0.072 1.00 . A A . 52 CYS HA 1 1 31 37425 1 1 52 CYS HB2 H -5.824 1.234 -0.013 1.00 . A A . 52 CYS HB2 1 1 31 37426 1 1 52 CYS HB3 H -6.581 0.717 -1.514 1.00 . A A . 52 CYS HB3 1 1 31 37427 1 1 52 CYS N N -7.707 0.784 1.469 1.00 . A A . 52 CYS N 1 1 31 37428 1 1 52 CYS O O -9.502 -0.247 -1.356 1.00 . A A . 52 CYS O 1 1 31 37429 1 1 52 CYS SG S -6.777 3.091 -1.225 1.00 . A A . 52 CYS SG 1 1 31 37430 1 1 53 HIS C C -9.646 -3.104 0.091 1.00 . A A . 53 HIS C 1 1 31 37431 1 1 53 HIS CA C -8.433 -2.716 -0.770 1.00 . A A . 53 HIS CA 1 1 31 37432 1 1 53 HIS CB C -7.328 -3.789 -0.824 1.00 . A A . 53 HIS CB 1 1 31 37433 1 1 53 HIS CD2 C -5.358 -2.988 -2.319 1.00 . A A . 53 HIS CD2 1 1 31 37434 1 1 53 HIS CE1 C -3.976 -2.405 -0.740 1.00 . A A . 53 HIS CE1 1 1 31 37435 1 1 53 HIS CG C -5.941 -3.274 -1.110 1.00 . A A . 53 HIS CG 1 1 31 37436 1 1 53 HIS H H -7.105 -1.417 0.295 1.00 . A A . 53 HIS H 1 1 31 37437 1 1 53 HIS HA H -8.771 -2.589 -1.799 1.00 . A A . 53 HIS HA 1 1 31 37438 1 1 53 HIS HB2 H -7.291 -4.310 0.131 1.00 . A A . 53 HIS HB2 1 1 31 37439 1 1 53 HIS HB3 H -7.597 -4.529 -1.579 1.00 . A A . 53 HIS HB3 1 1 31 37440 1 1 53 HIS HD1 H -5.244 -2.763 0.856 1.00 . A A . 53 HIS HD1 1 1 31 37441 1 1 53 HIS HD2 H -5.767 -3.113 -3.305 1.00 . A A . 53 HIS HD2 1 1 31 37442 1 1 53 HIS HE1 H -3.141 -1.988 -0.219 1.00 . A A . 53 HIS HE1 1 1 31 37443 1 1 53 HIS N N -7.926 -1.440 -0.293 1.00 . A A . 53 HIS N 1 1 31 37444 1 1 53 HIS ND1 N -5.061 -2.899 -0.134 1.00 . A A . 53 HIS ND1 1 1 31 37445 1 1 53 HIS NE2 N -4.100 -2.426 -2.071 1.00 . A A . 53 HIS NE2 1 1 31 37446 1 1 53 HIS O O -9.590 -4.046 0.882 1.00 . A A . 53 HIS O 1 1 31 37447 1 1 54 LYS C C -12.881 -2.956 -0.896 1.00 . A A . 54 LYS C 1 1 31 37448 1 1 54 LYS CA C -12.077 -2.686 0.378 1.00 . A A . 54 LYS CA 1 1 31 37449 1 1 54 LYS CB C -12.672 -1.563 1.244 1.00 . A A . 54 LYS CB 1 1 31 37450 1 1 54 LYS CD C -12.439 -0.373 3.449 1.00 . A A . 54 LYS CD 1 1 31 37451 1 1 54 LYS CE C -12.090 -0.491 4.941 1.00 . A A . 54 LYS CE 1 1 31 37452 1 1 54 LYS CG C -12.177 -1.682 2.693 1.00 . A A . 54 LYS CG 1 1 31 37453 1 1 54 LYS H H -10.614 -1.478 -0.571 1.00 . A A . 54 LYS H 1 1 31 37454 1 1 54 LYS HA H -12.078 -3.598 0.976 1.00 . A A . 54 LYS HA 1 1 31 37455 1 1 54 LYS HB2 H -12.386 -0.595 0.829 1.00 . A A . 54 LYS HB2 1 1 31 37456 1 1 54 LYS HB3 H -13.760 -1.638 1.253 1.00 . A A . 54 LYS HB3 1 1 31 37457 1 1 54 LYS HD2 H -11.823 0.399 2.990 1.00 . A A . 54 LYS HD2 1 1 31 37458 1 1 54 LYS HD3 H -13.487 -0.099 3.328 1.00 . A A . 54 LYS HD3 1 1 31 37459 1 1 54 LYS HE2 H -12.909 -0.988 5.461 1.00 . A A . 54 LYS HE2 1 1 31 37460 1 1 54 LYS HE3 H -11.190 -1.098 5.058 1.00 . A A . 54 LYS HE3 1 1 31 37461 1 1 54 LYS HG2 H -12.695 -2.512 3.177 1.00 . A A . 54 LYS HG2 1 1 31 37462 1 1 54 LYS HG3 H -11.106 -1.892 2.691 1.00 . A A . 54 LYS HG3 1 1 31 37463 1 1 54 LYS HZ1 H -12.616 1.454 5.432 1.00 . A A . 54 LYS HZ1 1 1 31 37464 1 1 54 LYS HZ2 H -11.634 0.733 6.541 1.00 . A A . 54 LYS HZ2 1 1 31 37465 1 1 54 LYS HZ3 H -11.009 1.255 5.131 1.00 . A A . 54 LYS HZ3 1 1 31 37466 1 1 54 LYS N N -10.731 -2.335 -0.040 1.00 . A A . 54 LYS N 1 1 31 37467 1 1 54 LYS NZ N -11.833 0.831 5.555 1.00 . A A . 54 LYS NZ 1 1 31 37468 1 1 54 LYS O O -12.917 -4.092 -1.365 1.00 . A A . 54 LYS O 1 1 31 37469 1 1 55 SER C C -13.681 -2.779 -3.791 1.00 . A A . 55 SER C 1 1 31 37470 1 1 55 SER CA C -14.360 -2.017 -2.648 1.00 . A A . 55 SER CA 1 1 31 37471 1 1 55 SER CB C -14.794 -0.613 -3.096 1.00 . A A . 55 SER CB 1 1 31 37472 1 1 55 SER H H -13.372 -1.006 -1.051 1.00 . A A . 55 SER H 1 1 31 37473 1 1 55 SER HA H -15.252 -2.572 -2.350 1.00 . A A . 55 SER HA 1 1 31 37474 1 1 55 SER HB2 H -15.172 -0.053 -2.240 1.00 . A A . 55 SER HB2 1 1 31 37475 1 1 55 SER HB3 H -13.946 -0.079 -3.530 1.00 . A A . 55 SER HB3 1 1 31 37476 1 1 55 SER HG H -16.060 0.178 -4.364 1.00 . A A . 55 SER HG 1 1 31 37477 1 1 55 SER N N -13.483 -1.912 -1.480 1.00 . A A . 55 SER N 1 1 31 37478 1 1 55 SER O O -14.287 -3.637 -4.426 1.00 . A A . 55 SER O 1 1 31 37479 1 1 55 SER OG O -15.829 -0.702 -4.052 1.00 . A A . 55 SER OG 1 1 31 37480 1 1 56 ASN C C -11.632 -4.638 -4.931 1.00 . A A . 56 ASN C 1 1 31 37481 1 1 56 ASN CA C -11.577 -3.109 -5.047 1.00 . A A . 56 ASN CA 1 1 31 37482 1 1 56 ASN CB C -10.127 -2.621 -4.912 1.00 . A A . 56 ASN CB 1 1 31 37483 1 1 56 ASN CG C -9.999 -1.122 -5.174 1.00 . A A . 56 ASN CG 1 1 31 37484 1 1 56 ASN H H -11.982 -1.751 -3.456 1.00 . A A . 56 ASN H 1 1 31 37485 1 1 56 ASN HA H -11.953 -2.828 -6.033 1.00 . A A . 56 ASN HA 1 1 31 37486 1 1 56 ASN HB2 H -9.745 -2.867 -3.921 1.00 . A A . 56 ASN HB2 1 1 31 37487 1 1 56 ASN HB3 H -9.516 -3.143 -5.650 1.00 . A A . 56 ASN HB3 1 1 31 37488 1 1 56 ASN HD21 H -9.603 -0.614 -3.189 1.00 . A A . 56 ASN HD21 1 1 31 37489 1 1 56 ASN HD22 H -9.671 0.678 -4.354 1.00 . A A . 56 ASN HD22 1 1 31 37490 1 1 56 ASN N N -12.403 -2.467 -4.028 1.00 . A A . 56 ASN N 1 1 31 37491 1 1 56 ASN ND2 N -9.742 -0.307 -4.151 1.00 . A A . 56 ASN ND2 1 1 31 37492 1 1 56 ASN O O -11.705 -5.337 -5.939 1.00 . A A . 56 ASN O 1 1 31 37493 1 1 56 ASN OD1 O -10.146 -0.680 -6.307 1.00 . A A . 56 ASN OD1 1 1 31 37494 1 1 57 ASN C C -10.727 -6.389 -1.877 1.00 . A A . 57 ASN C 1 1 31 37495 1 1 57 ASN CA C -11.465 -6.501 -3.206 1.00 . A A . 57 ASN CA 1 1 31 37496 1 1 57 ASN CB C -10.712 -7.462 -4.145 1.00 . A A . 57 ASN CB 1 1 31 37497 1 1 57 ASN CG C -11.663 -8.443 -4.823 1.00 . A A . 57 ASN CG 1 1 31 37498 1 1 57 ASN H H -11.580 -4.450 -2.935 1.00 . A A . 57 ASN H 1 1 31 37499 1 1 57 ASN HA H -12.474 -6.872 -3.012 1.00 . A A . 57 ASN HA 1 1 31 37500 1 1 57 ASN HB2 H -10.103 -6.933 -4.879 1.00 . A A . 57 ASN HB2 1 1 31 37501 1 1 57 ASN HB3 H -10.025 -8.070 -3.553 1.00 . A A . 57 ASN HB3 1 1 31 37502 1 1 57 ASN HD21 H -12.198 -7.056 -6.194 1.00 . A A . 57 ASN HD21 1 1 31 37503 1 1 57 ASN HD22 H -12.965 -8.641 -6.362 1.00 . A A . 57 ASN HD22 1 1 31 37504 1 1 57 ASN N N -11.566 -5.126 -3.690 1.00 . A A . 57 ASN N 1 1 31 37505 1 1 57 ASN ND2 N -12.329 -8.019 -5.889 1.00 . A A . 57 ASN ND2 1 1 31 37506 1 1 57 ASN O O -9.956 -5.445 -1.700 1.00 . A A . 57 ASN O 1 1 31 37507 1 1 57 ASN OD1 O -11.810 -9.576 -4.376 1.00 . A A . 57 ASN OD1 1 1 31 37508 1 1 58 GLY C C -9.794 -8.615 0.790 1.00 . A A . 58 GLY C 1 1 31 37509 1 1 58 GLY CA C -10.387 -7.265 0.390 1.00 . A A . 58 GLY CA 1 1 31 37510 1 1 58 GLY H H -11.571 -8.096 -1.157 1.00 . A A . 58 GLY H 1 1 31 37511 1 1 58 GLY HA2 H -9.645 -6.478 0.450 1.00 . A A . 58 GLY HA2 1 1 31 37512 1 1 58 GLY HA3 H -11.187 -7.021 1.089 1.00 . A A . 58 GLY HA3 1 1 31 37513 1 1 58 GLY N N -10.955 -7.323 -0.949 1.00 . A A . 58 GLY N 1 1 31 37514 1 1 58 GLY O O -10.528 -9.602 0.806 1.00 . A A . 58 GLY O 1 1 31 37515 1 1 59 PRO C C -8.537 -10.148 3.052 1.00 . A A . 59 PRO C 1 1 31 37516 1 1 59 PRO CA C -7.913 -9.906 1.685 1.00 . A A . 59 PRO CA 1 1 31 37517 1 1 59 PRO CB C -6.406 -9.654 1.758 1.00 . A A . 59 PRO CB 1 1 31 37518 1 1 59 PRO CD C -7.530 -7.604 1.154 1.00 . A A . 59 PRO CD 1 1 31 37519 1 1 59 PRO CG C -6.307 -8.136 1.899 1.00 . A A . 59 PRO CG 1 1 31 37520 1 1 59 PRO HA H -8.110 -10.781 1.060 1.00 . A A . 59 PRO HA 1 1 31 37521 1 1 59 PRO HB2 H -5.930 -10.187 2.581 1.00 . A A . 59 PRO HB2 1 1 31 37522 1 1 59 PRO HB3 H -5.953 -9.953 0.811 1.00 . A A . 59 PRO HB3 1 1 31 37523 1 1 59 PRO HD2 H -7.903 -6.727 1.684 1.00 . A A . 59 PRO HD2 1 1 31 37524 1 1 59 PRO HD3 H -7.261 -7.341 0.130 1.00 . A A . 59 PRO HD3 1 1 31 37525 1 1 59 PRO HG2 H -6.379 -7.863 2.951 1.00 . A A . 59 PRO HG2 1 1 31 37526 1 1 59 PRO HG3 H -5.384 -7.749 1.467 1.00 . A A . 59 PRO HG3 1 1 31 37527 1 1 59 PRO N N -8.495 -8.693 1.133 1.00 . A A . 59 PRO N 1 1 31 37528 1 1 59 PRO O O -8.658 -9.226 3.865 1.00 . A A . 59 PRO O 1 1 31 37529 1 1 60 THR C C -8.830 -11.911 5.587 1.00 . A A . 60 THR C 1 1 31 37530 1 1 60 THR CA C -9.772 -11.801 4.400 1.00 . A A . 60 THR CA 1 1 31 37531 1 1 60 THR CB C -10.382 -13.157 4.000 1.00 . A A . 60 THR CB 1 1 31 37532 1 1 60 THR CG2 C -11.522 -12.960 2.995 1.00 . A A . 60 THR CG2 1 1 31 37533 1 1 60 THR H H -8.677 -12.154 2.677 1.00 . A A . 60 THR H 1 1 31 37534 1 1 60 THR HA H -10.557 -11.074 4.613 1.00 . A A . 60 THR HA 1 1 31 37535 1 1 60 THR HB H -10.768 -13.676 4.879 1.00 . A A . 60 THR HB 1 1 31 37536 1 1 60 THR HG1 H -9.783 -14.601 2.816 1.00 . A A . 60 THR HG1 1 1 31 37537 1 1 60 THR HG21 H -11.163 -12.446 2.102 1.00 . A A . 60 THR HG21 1 1 31 37538 1 1 60 THR HG22 H -11.933 -13.929 2.705 1.00 . A A . 60 THR HG22 1 1 31 37539 1 1 60 THR HG23 H -12.317 -12.368 3.450 1.00 . A A . 60 THR HG23 1 1 31 37540 1 1 60 THR N N -8.957 -11.389 3.282 1.00 . A A . 60 THR N 1 1 31 37541 1 1 60 THR O O -8.847 -11.092 6.507 1.00 . A A . 60 THR O 1 1 31 37542 1 1 60 THR OG1 O -9.369 -13.932 3.369 1.00 . A A . 60 THR OG1 1 1 31 37543 1 1 61 LYS C C -5.671 -12.251 5.749 1.00 . A A . 61 LYS C 1 1 31 37544 1 1 61 LYS CA C -6.811 -13.083 6.345 1.00 . A A . 61 LYS CA 1 1 31 37545 1 1 61 LYS CB C -6.495 -14.584 6.496 1.00 . A A . 61 LYS CB 1 1 31 37546 1 1 61 LYS CD C -8.045 -14.991 8.492 1.00 . A A . 61 LYS CD 1 1 31 37547 1 1 61 LYS CE C -9.047 -15.955 9.146 1.00 . A A . 61 LYS CE 1 1 31 37548 1 1 61 LYS CG C -7.654 -15.417 7.067 1.00 . A A . 61 LYS CG 1 1 31 37549 1 1 61 LYS H H -8.027 -13.451 4.627 1.00 . A A . 61 LYS H 1 1 31 37550 1 1 61 LYS HA H -7.019 -12.674 7.335 1.00 . A A . 61 LYS HA 1 1 31 37551 1 1 61 LYS HB2 H -6.270 -15.015 5.519 1.00 . A A . 61 LYS HB2 1 1 31 37552 1 1 61 LYS HB3 H -5.620 -14.704 7.138 1.00 . A A . 61 LYS HB3 1 1 31 37553 1 1 61 LYS HD2 H -7.151 -14.897 9.113 1.00 . A A . 61 LYS HD2 1 1 31 37554 1 1 61 LYS HD3 H -8.520 -14.009 8.436 1.00 . A A . 61 LYS HD3 1 1 31 37555 1 1 61 LYS HE2 H -9.416 -15.497 10.066 1.00 . A A . 61 LYS HE2 1 1 31 37556 1 1 61 LYS HE3 H -9.899 -16.104 8.478 1.00 . A A . 61 LYS HE3 1 1 31 37557 1 1 61 LYS HG2 H -8.517 -15.330 6.403 1.00 . A A . 61 LYS HG2 1 1 31 37558 1 1 61 LYS HG3 H -7.323 -16.455 7.058 1.00 . A A . 61 LYS HG3 1 1 31 37559 1 1 61 LYS HZ1 H -8.130 -17.739 8.654 1.00 . A A . 61 LYS HZ1 1 1 31 37560 1 1 61 LYS HZ2 H -7.669 -17.141 10.118 1.00 . A A . 61 LYS HZ2 1 1 31 37561 1 1 61 LYS HZ3 H -9.141 -17.847 9.941 1.00 . A A . 61 LYS HZ3 1 1 31 37562 1 1 61 LYS N N -7.959 -12.912 5.487 1.00 . A A . 61 LYS N 1 1 31 37563 1 1 61 LYS NZ N -8.449 -17.266 9.487 1.00 . A A . 61 LYS NZ 1 1 31 37564 1 1 61 LYS O O -5.673 -11.024 5.881 1.00 . A A . 61 LYS O 1 1 31 37565 1 1 62 CYS C C -3.112 -12.562 3.257 1.00 . A A . 62 CYS C 1 1 31 37566 1 1 62 CYS CA C -3.412 -12.371 4.745 1.00 . A A . 62 CYS CA 1 1 31 37567 1 1 62 CYS CB C -2.335 -12.963 5.643 1.00 . A A . 62 CYS CB 1 1 31 37568 1 1 62 CYS H H -4.895 -13.868 4.831 1.00 . A A . 62 CYS H 1 1 31 37569 1 1 62 CYS HA H -3.458 -11.306 4.876 1.00 . A A . 62 CYS HA 1 1 31 37570 1 1 62 CYS HB2 H -2.100 -13.969 5.292 1.00 . A A . 62 CYS HB2 1 1 31 37571 1 1 62 CYS HB3 H -1.431 -12.355 5.586 1.00 . A A . 62 CYS HB3 1 1 31 37572 1 1 62 CYS N N -4.718 -12.914 5.086 1.00 . A A . 62 CYS N 1 1 31 37573 1 1 62 CYS O O -4.023 -12.535 2.434 1.00 . A A . 62 CYS O 1 1 31 37574 1 1 62 CYS SG S -2.793 -13.130 7.395 1.00 . A A . 62 CYS SG 1 1 31 37575 1 1 63 GLY C C -1.336 -11.950 0.597 1.00 . A A . 63 GLY C 1 1 31 37576 1 1 63 GLY CA C -1.423 -13.129 1.558 1.00 . A A . 63 GLY CA 1 1 31 37577 1 1 63 GLY H H -1.118 -12.581 3.589 1.00 . A A . 63 GLY H 1 1 31 37578 1 1 63 GLY HA2 H -0.442 -13.599 1.630 1.00 . A A . 63 GLY HA2 1 1 31 37579 1 1 63 GLY HA3 H -2.126 -13.862 1.159 1.00 . A A . 63 GLY HA3 1 1 31 37580 1 1 63 GLY N N -1.836 -12.710 2.893 1.00 . A A . 63 GLY N 1 1 31 37581 1 1 63 GLY O O -0.358 -11.821 -0.131 1.00 . A A . 63 GLY O 1 1 31 37582 1 1 64 GLY C C -1.160 -9.180 -0.506 1.00 . A A . 64 GLY C 1 1 31 37583 1 1 64 GLY CA C -2.481 -9.907 -0.230 1.00 . A A . 64 GLY CA 1 1 31 37584 1 1 64 GLY H H -3.151 -11.346 1.195 1.00 . A A . 64 GLY H 1 1 31 37585 1 1 64 GLY HA2 H -2.939 -10.198 -1.176 1.00 . A A . 64 GLY HA2 1 1 31 37586 1 1 64 GLY HA3 H -3.148 -9.211 0.280 1.00 . A A . 64 GLY HA3 1 1 31 37587 1 1 64 GLY N N -2.356 -11.087 0.619 1.00 . A A . 64 GLY N 1 1 31 37588 1 1 64 GLY O O -0.874 -8.825 -1.645 1.00 . A A . 64 GLY O 1 1 31 37589 1 1 65 CYS C C 2.031 -8.582 0.964 1.00 . A A . 65 CYS C 1 1 31 37590 1 1 65 CYS CA C 0.705 -7.941 0.535 1.00 . A A . 65 CYS CA 1 1 31 37591 1 1 65 CYS CB C 0.318 -6.793 1.431 1.00 . A A . 65 CYS CB 1 1 31 37592 1 1 65 CYS H H -0.718 -9.236 1.445 1.00 . A A . 65 CYS H 1 1 31 37593 1 1 65 CYS HA H 0.849 -7.546 -0.472 1.00 . A A . 65 CYS HA 1 1 31 37594 1 1 65 CYS HB2 H 0.403 -7.153 2.453 1.00 . A A . 65 CYS HB2 1 1 31 37595 1 1 65 CYS HB3 H 1.003 -5.957 1.297 1.00 . A A . 65 CYS HB3 1 1 31 37596 1 1 65 CYS N N -0.388 -8.912 0.552 1.00 . A A . 65 CYS N 1 1 31 37597 1 1 65 CYS O O 3.079 -8.320 0.376 1.00 . A A . 65 CYS O 1 1 31 37598 1 1 65 CYS SG S -1.402 -6.275 1.068 1.00 . A A . 65 CYS SG 1 1 31 37599 1 1 66 HIS C C 3.174 -11.488 1.577 1.00 . A A . 66 HIS C 1 1 31 37600 1 1 66 HIS CA C 3.127 -10.224 2.423 1.00 . A A . 66 HIS CA 1 1 31 37601 1 1 66 HIS CB C 2.957 -10.688 3.874 1.00 . A A . 66 HIS CB 1 1 31 37602 1 1 66 HIS CD2 C 1.624 -9.168 5.420 1.00 . A A . 66 HIS CD2 1 1 31 37603 1 1 66 HIS CE1 C 3.256 -8.058 6.357 1.00 . A A . 66 HIS CE1 1 1 31 37604 1 1 66 HIS CG C 2.801 -9.599 4.883 1.00 . A A . 66 HIS CG 1 1 31 37605 1 1 66 HIS H H 1.100 -9.602 2.438 1.00 . A A . 66 HIS H 1 1 31 37606 1 1 66 HIS HA H 4.052 -9.654 2.334 1.00 . A A . 66 HIS HA 1 1 31 37607 1 1 66 HIS HB2 H 2.099 -11.357 3.928 1.00 . A A . 66 HIS HB2 1 1 31 37608 1 1 66 HIS HB3 H 3.840 -11.276 4.128 1.00 . A A . 66 HIS HB3 1 1 31 37609 1 1 66 HIS HD1 H 4.814 -8.983 5.280 1.00 . A A . 66 HIS HD1 1 1 31 37610 1 1 66 HIS HD2 H 0.620 -9.452 5.172 1.00 . A A . 66 HIS HD2 1 1 31 37611 1 1 66 HIS HE1 H 3.788 -7.343 6.960 1.00 . A A . 66 HIS HE1 1 1 31 37612 1 1 66 HIS N N 1.987 -9.423 2.002 1.00 . A A . 66 HIS N 1 1 31 37613 1 1 66 HIS ND1 N 3.822 -8.937 5.513 1.00 . A A . 66 HIS ND1 1 1 31 37614 1 1 66 HIS NE2 N 1.919 -8.173 6.341 1.00 . A A . 66 HIS NE2 1 1 31 37615 1 1 66 HIS O O 2.243 -12.289 1.655 1.00 . A A . 66 HIS O 1 1 31 37616 1 1 67 ILE C C 5.071 -14.033 1.238 1.00 . A A . 67 ILE C 1 1 31 37617 1 1 67 ILE CA C 4.465 -13.044 0.227 1.00 . A A . 67 ILE CA 1 1 31 37618 1 1 67 ILE CB C 5.266 -12.892 -1.085 1.00 . A A . 67 ILE CB 1 1 31 37619 1 1 67 ILE CD1 C 5.224 -10.408 -1.783 1.00 . A A . 67 ILE CD1 1 1 31 37620 1 1 67 ILE CG1 C 4.660 -11.813 -2.006 1.00 . A A . 67 ILE CG1 1 1 31 37621 1 1 67 ILE CG2 C 5.223 -14.207 -1.884 1.00 . A A . 67 ILE CG2 1 1 31 37622 1 1 67 ILE H H 5.040 -11.084 0.881 1.00 . A A . 67 ILE H 1 1 31 37623 1 1 67 ILE HA H 3.492 -13.444 -0.063 1.00 . A A . 67 ILE HA 1 1 31 37624 1 1 67 ILE HB H 6.306 -12.648 -0.866 1.00 . A A . 67 ILE HB 1 1 31 37625 1 1 67 ILE HD11 H 6.312 -10.431 -1.843 1.00 . A A . 67 ILE HD11 1 1 31 37626 1 1 67 ILE HD12 H 4.837 -9.768 -2.574 1.00 . A A . 67 ILE HD12 1 1 31 37627 1 1 67 ILE HD13 H 4.918 -9.990 -0.827 1.00 . A A . 67 ILE HD13 1 1 31 37628 1 1 67 ILE HG12 H 4.892 -12.059 -3.044 1.00 . A A . 67 ILE HG12 1 1 31 37629 1 1 67 ILE HG13 H 3.574 -11.798 -1.903 1.00 . A A . 67 ILE HG13 1 1 31 37630 1 1 67 ILE HG21 H 4.191 -14.446 -2.136 1.00 . A A . 67 ILE HG21 1 1 31 37631 1 1 67 ILE HG22 H 5.803 -14.100 -2.801 1.00 . A A . 67 ILE HG22 1 1 31 37632 1 1 67 ILE HG23 H 5.643 -15.039 -1.325 1.00 . A A . 67 ILE HG23 1 1 31 37633 1 1 67 ILE N N 4.281 -11.754 0.883 1.00 . A A . 67 ILE N 1 1 31 37634 1 1 67 ILE O O 6.086 -14.662 0.958 1.00 . A A . 67 ILE O 1 1 31 37635 1 1 68 LYS C C 3.803 -14.653 4.671 1.00 . A A . 68 LYS C 1 1 31 37636 1 1 68 LYS CA C 4.679 -15.107 3.490 1.00 . A A . 68 LYS CA 1 1 31 37637 1 1 68 LYS CB C 6.163 -15.194 3.906 1.00 . A A . 68 LYS CB 1 1 31 37638 1 1 68 LYS CD C 7.077 -16.196 6.071 1.00 . A A . 68 LYS CD 1 1 31 37639 1 1 68 LYS CE C 6.491 -17.123 7.140 1.00 . A A . 68 LYS CE 1 1 31 37640 1 1 68 LYS CG C 6.429 -16.479 4.708 1.00 . A A . 68 LYS CG 1 1 31 37641 1 1 68 LYS H H 3.606 -13.598 2.574 1.00 . A A . 68 LYS H 1 1 31 37642 1 1 68 LYS HA H 4.333 -16.079 3.137 1.00 . A A . 68 LYS HA 1 1 31 37643 1 1 68 LYS HB2 H 6.836 -15.240 3.055 1.00 . A A . 68 LYS HB2 1 1 31 37644 1 1 68 LYS HB3 H 6.417 -14.295 4.467 1.00 . A A . 68 LYS HB3 1 1 31 37645 1 1 68 LYS HD2 H 8.155 -16.342 5.984 1.00 . A A . 68 LYS HD2 1 1 31 37646 1 1 68 LYS HD3 H 6.901 -15.163 6.369 1.00 . A A . 68 LYS HD3 1 1 31 37647 1 1 68 LYS HE2 H 6.483 -18.148 6.761 1.00 . A A . 68 LYS HE2 1 1 31 37648 1 1 68 LYS HE3 H 7.119 -17.090 8.032 1.00 . A A . 68 LYS HE3 1 1 31 37649 1 1 68 LYS HG2 H 5.495 -17.026 4.828 1.00 . A A . 68 LYS HG2 1 1 31 37650 1 1 68 LYS HG3 H 7.092 -17.123 4.126 1.00 . A A . 68 LYS HG3 1 1 31 37651 1 1 68 LYS HZ1 H 4.626 -17.424 7.996 1.00 . A A . 68 LYS HZ1 1 1 31 37652 1 1 68 LYS HZ2 H 5.160 -15.861 8.062 1.00 . A A . 68 LYS HZ2 1 1 31 37653 1 1 68 LYS HZ3 H 4.595 -16.434 6.667 1.00 . A A . 68 LYS HZ3 1 1 31 37654 1 1 68 LYS N N 4.438 -14.156 2.412 1.00 . A A . 68 LYS N 1 1 31 37655 1 1 68 LYS NZ N 5.123 -16.699 7.502 1.00 . A A . 68 LYS NZ 1 1 31 37656 1 1 68 LYS O O 3.104 -13.626 4.520 1.00 . A A . 68 LYS O 1 1 31 37657 1 1 68 LYS OXT O 3.849 -15.276 5.756 1.00 . A A . 68 LYS OXT 1 1 31 37658 2 2 1 HEC C1A C 7.401 8.453 -3.574 1.00 . B A . 69 HEC C1A 1 1 31 37659 2 2 1 HEC C1B C 4.966 9.292 -6.977 1.00 . B A . 69 HEC C1B 1 1 31 37660 2 2 1 HEC C1C C 2.006 6.578 -5.556 1.00 . B A . 69 HEC C1C 1 1 31 37661 2 2 1 HEC C1D C 4.306 5.992 -2.002 1.00 . B A . 69 HEC C1D 1 1 31 37662 2 2 1 HEC C2A C 8.493 9.322 -3.948 1.00 . B A . 69 HEC C2A 1 1 31 37663 2 2 1 HEC C2B C 4.274 9.689 -8.179 1.00 . B A . 69 HEC C2B 1 1 31 37664 2 2 1 HEC C2C C 0.864 5.795 -5.150 1.00 . B A . 69 HEC C2C 1 1 31 37665 2 2 1 HEC C2D C 5.006 5.592 -0.805 1.00 . B A . 69 HEC C2D 1 1 31 37666 2 2 1 HEC C3A C 8.098 10.002 -5.071 1.00 . B A . 69 HEC C3A 1 1 31 37667 2 2 1 HEC C3B C 3.109 8.962 -8.234 1.00 . B A . 69 HEC C3B 1 1 31 37668 2 2 1 HEC C3C C 1.112 5.358 -3.866 1.00 . B A . 69 HEC C3C 1 1 31 37669 2 2 1 HEC C3D C 6.268 6.128 -0.881 1.00 . B A . 69 HEC C3D 1 1 31 37670 2 2 1 HEC C4A C 6.810 9.467 -5.448 1.00 . B A . 69 HEC C4A 1 1 31 37671 2 2 1 HEC C4B C 3.141 8.032 -7.120 1.00 . B A . 69 HEC C4B 1 1 31 37672 2 2 1 HEC C4C C 2.436 5.829 -3.513 1.00 . B A . 69 HEC C4C 1 1 31 37673 2 2 1 HEC C4D C 6.300 6.960 -2.058 1.00 . B A . 69 HEC C4D 1 1 31 37674 2 2 1 HEC CAA C 9.799 9.508 -3.215 1.00 . B A . 69 HEC CAA 1 1 31 37675 2 2 1 HEC CAB C 1.872 9.357 -9.020 1.00 . B A . 69 HEC CAB 1 1 31 37676 2 2 1 HEC CAC C 0.125 4.681 -2.930 1.00 . B A . 69 HEC CAC 1 1 31 37677 2 2 1 HEC CAD C 7.445 5.752 -0.012 1.00 . B A . 69 HEC CAD 1 1 31 37678 2 2 1 HEC CBA C 10.817 8.395 -3.471 1.00 . B A . 69 HEC CBA 1 1 31 37679 2 2 1 HEC CBB C 2.092 9.661 -10.510 1.00 . B A . 69 HEC CBB 1 1 31 37680 2 2 1 HEC CBC C -0.176 3.223 -3.293 1.00 . B A . 69 HEC CBC 1 1 31 37681 2 2 1 HEC CBD C 7.974 4.353 -0.343 1.00 . B A . 69 HEC CBD 1 1 31 37682 2 2 1 HEC CGA C 12.082 8.628 -2.641 1.00 . B A . 69 HEC CGA 1 1 31 37683 2 2 1 HEC CGD C 8.908 4.358 -1.559 1.00 . B A . 69 HEC CGD 1 1 31 37684 2 2 1 HEC CHA C 7.403 7.677 -2.445 1.00 . B A . 69 HEC CHA 1 1 31 37685 2 2 1 HEC CHB C 6.133 9.881 -6.556 1.00 . B A . 69 HEC CHB 1 1 31 37686 2 2 1 HEC CHC C 2.081 7.212 -6.774 1.00 . B A . 69 HEC CHC 1 1 31 37687 2 2 1 HEC CHD C 3.055 5.535 -2.318 1.00 . B A . 69 HEC CHD 1 1 31 37688 2 2 1 HEC CMA C 8.886 11.088 -5.775 1.00 . B A . 69 HEC CMA 1 1 31 37689 2 2 1 HEC CMB C 4.680 10.773 -9.157 1.00 . B A . 69 HEC CMB 1 1 31 37690 2 2 1 HEC CMC C -0.388 5.584 -5.976 1.00 . B A . 69 HEC CMC 1 1 31 37691 2 2 1 HEC CMD C 4.477 4.684 0.283 1.00 . B A . 69 HEC CMD 1 1 31 37692 2 2 1 HEC FE FE 4.670 7.533 -4.562 1.00 . B A . 69 HEC FE 1 1 31 37693 2 2 1 HEC HAA1 H 10.275 10.444 -3.498 1.00 . B A . 69 HEC HAA1 1 1 31 37694 2 2 1 HEC HAA2 H 9.605 9.567 -2.153 1.00 . B A . 69 HEC HAA2 1 1 31 37695 2 2 1 HEC HAB H 1.160 8.547 -8.980 1.00 . B A . 69 HEC HAB 1 1 31 37696 2 2 1 HEC HAC H 0.512 4.676 -1.916 1.00 . B A . 69 HEC HAC 1 1 31 37697 2 2 1 HEC HAD1 H 8.270 6.450 -0.106 1.00 . B A . 69 HEC HAD1 1 1 31 37698 2 2 1 HEC HAD2 H 7.135 5.779 1.019 1.00 . B A . 69 HEC HAD2 1 1 31 37699 2 2 1 HEC HBA1 H 10.368 7.437 -3.201 1.00 . B A . 69 HEC HBA1 1 1 31 37700 2 2 1 HEC HBA2 H 11.071 8.372 -4.532 1.00 . B A . 69 HEC HBA2 1 1 31 37701 2 2 1 HEC HBB1 H 1.148 9.563 -11.049 1.00 . B A . 69 HEC HBB1 1 1 31 37702 2 2 1 HEC HBB2 H 2.454 10.677 -10.655 1.00 . B A . 69 HEC HBB2 1 1 31 37703 2 2 1 HEC HBB3 H 2.800 8.951 -10.938 1.00 . B A . 69 HEC HBB3 1 1 31 37704 2 2 1 HEC HBC1 H -0.843 2.783 -2.553 1.00 . B A . 69 HEC HBC1 1 1 31 37705 2 2 1 HEC HBC2 H -0.648 3.162 -4.268 1.00 . B A . 69 HEC HBC2 1 1 31 37706 2 2 1 HEC HBC3 H 0.749 2.644 -3.318 1.00 . B A . 69 HEC HBC3 1 1 31 37707 2 2 1 HEC HBD1 H 8.530 3.990 0.522 1.00 . B A . 69 HEC HBD1 1 1 31 37708 2 2 1 HEC HBD2 H 7.128 3.692 -0.509 1.00 . B A . 69 HEC HBD2 1 1 31 37709 2 2 1 HEC HHA H 8.297 7.605 -1.857 1.00 . B A . 69 HEC HHA 1 1 31 37710 2 2 1 HEC HHB H 6.536 10.702 -7.102 1.00 . B A . 69 HEC HHB 1 1 31 37711 2 2 1 HEC HHC H 1.231 7.135 -7.421 1.00 . B A . 69 HEC HHC 1 1 31 37712 2 2 1 HEC HHD H 2.575 4.869 -1.630 1.00 . B A . 69 HEC HHD 1 1 31 37713 2 2 1 HEC HMA1 H 9.596 10.629 -6.462 1.00 . B A . 69 HEC HMA1 1 1 31 37714 2 2 1 HEC HMA2 H 8.236 11.767 -6.321 1.00 . B A . 69 HEC HMA2 1 1 31 37715 2 2 1 HEC HMA3 H 9.428 11.693 -5.051 1.00 . B A . 69 HEC HMA3 1 1 31 37716 2 2 1 HEC HMB1 H 5.663 11.185 -8.955 1.00 . B A . 69 HEC HMB1 1 1 31 37717 2 2 1 HEC HMB2 H 4.699 10.358 -10.163 1.00 . B A . 69 HEC HMB2 1 1 31 37718 2 2 1 HEC HMB3 H 3.950 11.580 -9.102 1.00 . B A . 69 HEC HMB3 1 1 31 37719 2 2 1 HEC HMC1 H -0.841 6.551 -6.192 1.00 . B A . 69 HEC HMC1 1 1 31 37720 2 2 1 HEC HMC2 H -0.121 5.090 -6.907 1.00 . B A . 69 HEC HMC2 1 1 31 37721 2 2 1 HEC HMC3 H -1.125 4.973 -5.461 1.00 . B A . 69 HEC HMC3 1 1 31 37722 2 2 1 HEC HMD1 H 4.514 3.649 -0.050 1.00 . B A . 69 HEC HMD1 1 1 31 37723 2 2 1 HEC HMD2 H 5.067 4.783 1.188 1.00 . B A . 69 HEC HMD2 1 1 31 37724 2 2 1 HEC HMD3 H 3.446 4.941 0.519 1.00 . B A . 69 HEC HMD3 1 1 31 37725 2 2 1 HEC NA N 6.431 8.553 -4.522 1.00 . B A . 69 HEC NA 1 1 31 37726 2 2 1 HEC NB N 4.265 8.287 -6.385 1.00 . B A . 69 HEC NB 1 1 31 37727 2 2 1 HEC NC N 2.914 6.575 -4.549 1.00 . B A . 69 HEC NC 1 1 31 37728 2 2 1 HEC ND N 5.110 6.835 -2.702 1.00 . B A . 69 HEC ND 1 1 31 37729 2 2 1 HEC O1A O 12.474 7.683 -1.920 1.00 . B A . 69 HEC O1A 1 1 31 37730 2 2 1 HEC O1D O 10.090 4.696 -1.323 1.00 . B A . 69 HEC O1D 1 1 31 37731 2 2 1 HEC O2A O 12.589 9.768 -2.669 1.00 . B A . 69 HEC O2A 1 1 31 37732 2 2 1 HEC O2D O 8.439 4.075 -2.686 1.00 . B A . 69 HEC O2D 1 1 31 37733 3 2 1 HEC C1A C -2.596 -4.327 -4.800 1.00 . C A . 70 HEC C1A 1 1 31 37734 3 2 1 HEC C1B C -0.534 -2.512 -1.513 1.00 . C A . 70 HEC C1B 1 1 31 37735 3 2 1 HEC C1C C -3.070 0.895 -1.839 1.00 . C A . 70 HEC C1C 1 1 31 37736 3 2 1 HEC C1D C -5.115 -0.899 -5.145 1.00 . C A . 70 HEC C1D 1 1 31 37737 3 2 1 HEC C2A C -1.826 -5.548 -4.812 1.00 . C A . 70 HEC C2A 1 1 31 37738 3 2 1 HEC C2B C 0.157 -2.087 -0.317 1.00 . C A . 70 HEC C2B 1 1 31 37739 3 2 1 HEC C2C C -3.825 2.120 -1.828 1.00 . C A . 70 HEC C2C 1 1 31 37740 3 2 1 HEC C2D C -5.866 -1.360 -6.290 1.00 . C A . 70 HEC C2D 1 1 31 37741 3 2 1 HEC C3A C -0.897 -5.453 -3.806 1.00 . C A . 70 HEC C3A 1 1 31 37742 3 2 1 HEC C3B C -0.272 -0.810 -0.033 1.00 . C A . 70 HEC C3B 1 1 31 37743 3 2 1 HEC C3C C -4.806 1.998 -2.784 1.00 . C A . 70 HEC C3C 1 1 31 37744 3 2 1 HEC C3D C -5.409 -2.621 -6.590 1.00 . C A . 70 HEC C3D 1 1 31 37745 3 2 1 HEC C4A C -1.102 -4.179 -3.153 1.00 . C A . 70 HEC C4A 1 1 31 37746 3 2 1 HEC C4B C -1.290 -0.488 -1.008 1.00 . C A . 70 HEC C4B 1 1 31 37747 3 2 1 HEC C4C C -4.565 0.746 -3.469 1.00 . C A . 70 HEC C4C 1 1 31 37748 3 2 1 HEC C4D C -4.336 -2.912 -5.669 1.00 . C A . 70 HEC C4D 1 1 31 37749 3 2 1 HEC CAA C -2.034 -6.735 -5.730 1.00 . C A . 70 HEC CAA 1 1 31 37750 3 2 1 HEC CAB C 0.207 0.090 1.097 1.00 . C A . 70 HEC CAB 1 1 31 37751 3 2 1 HEC CAC C -6.081 2.820 -2.877 1.00 . C A . 70 HEC CAC 1 1 31 37752 3 2 1 HEC CAD C -5.900 -3.492 -7.730 1.00 . C A . 70 HEC CAD 1 1 31 37753 3 2 1 HEC CBA C -3.165 -7.657 -5.257 1.00 . C A . 70 HEC CBA 1 1 31 37754 3 2 1 HEC CBB C 1.690 0.471 0.971 1.00 . C A . 70 HEC CBB 1 1 31 37755 3 2 1 HEC CBC C -5.933 4.133 -3.637 1.00 . C A . 70 HEC CBC 1 1 31 37756 3 2 1 HEC CBD C -4.882 -3.607 -8.869 1.00 . C A . 70 HEC CBD 1 1 31 37757 3 2 1 HEC CGA C -3.406 -8.838 -6.205 1.00 . C A . 70 HEC CGA 1 1 31 37758 3 2 1 HEC CGD C -5.519 -3.902 -10.231 1.00 . C A . 70 HEC CGD 1 1 31 37759 3 2 1 HEC CHA C -3.620 -4.079 -5.684 1.00 . C A . 70 HEC CHA 1 1 31 37760 3 2 1 HEC CHB C -0.362 -3.752 -2.071 1.00 . C A . 70 HEC CHB 1 1 31 37761 3 2 1 HEC CHC C -2.058 0.645 -0.949 1.00 . C A . 70 HEC CHC 1 1 31 37762 3 2 1 HEC CHD C -5.320 0.314 -4.535 1.00 . C A . 70 HEC CHD 1 1 31 37763 3 2 1 HEC CMA C 0.198 -6.454 -3.521 1.00 . C A . 70 HEC CMA 1 1 31 37764 3 2 1 HEC CMB C 0.967 -2.988 0.590 1.00 . C A . 70 HEC CMB 1 1 31 37765 3 2 1 HEC CMC C -3.579 3.301 -0.914 1.00 . C A . 70 HEC CMC 1 1 31 37766 3 2 1 HEC CMD C -6.905 -0.597 -7.083 1.00 . C A . 70 HEC CMD 1 1 31 37767 3 2 1 HEC FE FE -2.801 -1.686 -3.355 1.00 . C A . 70 HEC FE 1 1 31 37768 3 2 1 HEC HAA1 H -2.256 -6.391 -6.740 1.00 . C A . 70 HEC HAA1 1 1 31 37769 3 2 1 HEC HAA2 H -1.119 -7.322 -5.799 1.00 . C A . 70 HEC HAA2 1 1 31 37770 3 2 1 HEC HAB H -0.310 1.042 1.067 1.00 . C A . 70 HEC HAB 1 1 31 37771 3 2 1 HEC HAC H -6.843 2.245 -3.398 1.00 . C A . 70 HEC HAC 1 1 31 37772 3 2 1 HEC HAD1 H -6.137 -4.491 -7.362 1.00 . C A . 70 HEC HAD1 1 1 31 37773 3 2 1 HEC HAD2 H -6.813 -3.064 -8.139 1.00 . C A . 70 HEC HAD2 1 1 31 37774 3 2 1 HEC HBA1 H -2.914 -8.044 -4.267 1.00 . C A . 70 HEC HBA1 1 1 31 37775 3 2 1 HEC HBA2 H -4.080 -7.068 -5.172 1.00 . C A . 70 HEC HBA2 1 1 31 37776 3 2 1 HEC HBB1 H 2.350 -0.380 1.127 1.00 . C A . 70 HEC HBB1 1 1 31 37777 3 2 1 HEC HBB2 H 1.882 0.877 -0.023 1.00 . C A . 70 HEC HBB2 1 1 31 37778 3 2 1 HEC HBB3 H 1.942 1.234 1.704 1.00 . C A . 70 HEC HBB3 1 1 31 37779 3 2 1 HEC HBC1 H -6.886 4.662 -3.656 1.00 . C A . 70 HEC HBC1 1 1 31 37780 3 2 1 HEC HBC2 H -5.178 4.771 -3.178 1.00 . C A . 70 HEC HBC2 1 1 31 37781 3 2 1 HEC HBC3 H -5.645 3.890 -4.657 1.00 . C A . 70 HEC HBC3 1 1 31 37782 3 2 1 HEC HBD1 H -4.358 -2.654 -8.959 1.00 . C A . 70 HEC HBD1 1 1 31 37783 3 2 1 HEC HBD2 H -4.146 -4.375 -8.629 1.00 . C A . 70 HEC HBD2 1 1 31 37784 3 2 1 HEC HHA H -3.867 -4.831 -6.411 1.00 . C A . 70 HEC HHA 1 1 31 37785 3 2 1 HEC HHB H 0.363 -4.414 -1.635 1.00 . C A . 70 HEC HHB 1 1 31 37786 3 2 1 HEC HHC H -1.918 1.332 -0.138 1.00 . C A . 70 HEC HHC 1 1 31 37787 3 2 1 HEC HHD H -6.088 0.959 -4.905 1.00 . C A . 70 HEC HHD 1 1 31 37788 3 2 1 HEC HMA1 H 1.067 -6.199 -4.132 1.00 . C A . 70 HEC HMA1 1 1 31 37789 3 2 1 HEC HMA2 H 0.478 -6.448 -2.473 1.00 . C A . 70 HEC HMA2 1 1 31 37790 3 2 1 HEC HMA3 H -0.139 -7.459 -3.770 1.00 . C A . 70 HEC HMA3 1 1 31 37791 3 2 1 HEC HMB1 H 1.606 -3.661 0.022 1.00 . C A . 70 HEC HMB1 1 1 31 37792 3 2 1 HEC HMB2 H 1.579 -2.401 1.265 1.00 . C A . 70 HEC HMB2 1 1 31 37793 3 2 1 HEC HMB3 H 0.271 -3.585 1.175 1.00 . C A . 70 HEC HMB3 1 1 31 37794 3 2 1 HEC HMC1 H -3.929 3.063 0.089 1.00 . C A . 70 HEC HMC1 1 1 31 37795 3 2 1 HEC HMC2 H -2.516 3.539 -0.888 1.00 . C A . 70 HEC HMC2 1 1 31 37796 3 2 1 HEC HMC3 H -4.110 4.180 -1.273 1.00 . C A . 70 HEC HMC3 1 1 31 37797 3 2 1 HEC HMD1 H -7.169 0.355 -6.628 1.00 . C A . 70 HEC HMD1 1 1 31 37798 3 2 1 HEC HMD2 H -6.510 -0.409 -8.082 1.00 . C A . 70 HEC HMD2 1 1 31 37799 3 2 1 HEC HMD3 H -7.807 -1.200 -7.174 1.00 . C A . 70 HEC HMD3 1 1 31 37800 3 2 1 HEC NA N -2.119 -3.526 -3.797 1.00 . C A . 70 HEC NA 1 1 31 37801 3 2 1 HEC NB N -1.411 -1.532 -1.872 1.00 . C A . 70 HEC NB 1 1 31 37802 3 2 1 HEC NC N -3.526 0.116 -2.852 1.00 . C A . 70 HEC NC 1 1 31 37803 3 2 1 HEC ND N -4.212 -1.858 -4.819 1.00 . C A . 70 HEC ND 1 1 31 37804 3 2 1 HEC O1A O -4.594 -9.167 -6.418 1.00 . C A . 70 HEC O1A 1 1 31 37805 3 2 1 HEC O1D O -6.410 -3.137 -10.672 1.00 . C A . 70 HEC O1D 1 1 31 37806 3 2 1 HEC O2A O -2.401 -9.396 -6.699 1.00 . C A . 70 HEC O2A 1 1 31 37807 3 2 1 HEC O2D O -4.955 -4.721 -10.992 1.00 . C A . 70 HEC O2D 1 1 31 37808 4 2 1 HEC C1A C 2.773 -6.311 9.265 1.00 . D A . 71 HEC C1A 1 1 31 37809 4 2 1 HEC C1B C 0.005 -9.562 9.052 1.00 . D A . 71 HEC C1B 1 1 31 37810 4 2 1 HEC C1C C -1.566 -7.950 5.441 1.00 . D A . 71 HEC C1C 1 1 31 37811 4 2 1 HEC C1D C 1.328 -4.873 5.530 1.00 . D A . 71 HEC C1D 1 1 31 37812 4 2 1 HEC C2A C 3.384 -6.713 10.511 1.00 . D A . 71 HEC C2A 1 1 31 37813 4 2 1 HEC C2B C -0.843 -10.728 9.103 1.00 . D A . 71 HEC C2B 1 1 31 37814 4 2 1 HEC C2C C -2.190 -7.559 4.201 1.00 . D A . 71 HEC C2C 1 1 31 37815 4 2 1 HEC C2D C 2.220 -3.756 5.402 1.00 . D A . 71 HEC C2D 1 1 31 37816 4 2 1 HEC C3A C 2.743 -7.853 10.928 1.00 . D A . 71 HEC C3A 1 1 31 37817 4 2 1 HEC C3B C -1.729 -10.630 8.055 1.00 . D A . 71 HEC C3B 1 1 31 37818 4 2 1 HEC C3C C -1.603 -6.379 3.814 1.00 . D A . 71 HEC C3C 1 1 31 37819 4 2 1 HEC C3D C 3.040 -3.778 6.502 1.00 . D A . 71 HEC C3D 1 1 31 37820 4 2 1 HEC C4A C 1.740 -8.161 9.938 1.00 . D A . 71 HEC C4A 1 1 31 37821 4 2 1 HEC C4B C -1.312 -9.482 7.276 1.00 . D A . 71 HEC C4B 1 1 31 37822 4 2 1 HEC C4C C -0.523 -6.145 4.746 1.00 . D A . 71 HEC C4C 1 1 31 37823 4 2 1 HEC C4D C 2.631 -4.905 7.308 1.00 . D A . 71 HEC C4D 1 1 31 37824 4 2 1 HEC CAA C 4.631 -6.130 11.128 1.00 . D A . 71 HEC CAA 1 1 31 37825 4 2 1 HEC CAB C -3.030 -11.404 7.898 1.00 . D A . 71 HEC CAB 1 1 31 37826 4 2 1 HEC CAC C -1.957 -5.511 2.616 1.00 . D A . 71 HEC CAC 1 1 31 37827 4 2 1 HEC CAD C 4.069 -2.755 6.905 1.00 . D A . 71 HEC CAD 1 1 31 37828 4 2 1 HEC CBA C 5.889 -6.812 10.579 1.00 . D A . 71 HEC CBA 1 1 31 37829 4 2 1 HEC CBB C -3.919 -11.366 9.144 1.00 . D A . 71 HEC CBB 1 1 31 37830 4 2 1 HEC CBC C -3.436 -5.123 2.511 1.00 . D A . 71 HEC CBC 1 1 31 37831 4 2 1 HEC CBD C 5.520 -3.256 6.914 1.00 . D A . 71 HEC CBD 1 1 31 37832 4 2 1 HEC CGA C 7.177 -6.253 11.183 1.00 . D A . 71 HEC CGA 1 1 31 37833 4 2 1 HEC CGD C 6.398 -2.517 7.935 1.00 . D A . 71 HEC CGD 1 1 31 37834 4 2 1 HEC CHA C 3.205 -5.242 8.511 1.00 . D A . 71 HEC CHA 1 1 31 37835 4 2 1 HEC CHB C 0.947 -9.281 10.008 1.00 . D A . 71 HEC CHB 1 1 31 37836 4 2 1 HEC CHC C -1.933 -9.072 6.122 1.00 . D A . 71 HEC CHC 1 1 31 37837 4 2 1 HEC CHD C 0.364 -5.123 4.605 1.00 . D A . 71 HEC CHD 1 1 31 37838 4 2 1 HEC CMA C 3.090 -8.696 12.135 1.00 . D A . 71 HEC CMA 1 1 31 37839 4 2 1 HEC CMB C -0.767 -11.834 10.131 1.00 . D A . 71 HEC CMB 1 1 31 37840 4 2 1 HEC CMC C -3.215 -8.368 3.447 1.00 . D A . 71 HEC CMC 1 1 31 37841 4 2 1 HEC CMD C 2.147 -2.736 4.293 1.00 . D A . 71 HEC CMD 1 1 31 37842 4 2 1 HEC FE FE 0.634 -7.156 7.358 1.00 . D A . 71 HEC FE 1 1 31 37843 4 2 1 HEC HAA1 H 4.696 -5.064 10.921 1.00 . D A . 71 HEC HAA1 1 1 31 37844 4 2 1 HEC HAA2 H 4.607 -6.248 12.210 1.00 . D A . 71 HEC HAA2 1 1 31 37845 4 2 1 HEC HAB H -3.629 -10.931 7.132 1.00 . D A . 71 HEC HAB 1 1 31 37846 4 2 1 HEC HAC H -1.449 -4.556 2.692 1.00 . D A . 71 HEC HAC 1 1 31 37847 4 2 1 HEC HAD1 H 4.010 -1.838 6.319 1.00 . D A . 71 HEC HAD1 1 1 31 37848 4 2 1 HEC HAD2 H 3.789 -2.513 7.919 1.00 . D A . 71 HEC HAD2 1 1 31 37849 4 2 1 HEC HBA1 H 5.837 -7.878 10.798 1.00 . D A . 71 HEC HBA1 1 1 31 37850 4 2 1 HEC HBA2 H 5.903 -6.680 9.496 1.00 . D A . 71 HEC HBA2 1 1 31 37851 4 2 1 HEC HBB1 H -4.885 -11.812 8.909 1.00 . D A . 71 HEC HBB1 1 1 31 37852 4 2 1 HEC HBB2 H -3.471 -11.918 9.968 1.00 . D A . 71 HEC HBB2 1 1 31 37853 4 2 1 HEC HBB3 H -4.077 -10.330 9.446 1.00 . D A . 71 HEC HBB3 1 1 31 37854 4 2 1 HEC HBC1 H -4.069 -5.986 2.330 1.00 . D A . 71 HEC HBC1 1 1 31 37855 4 2 1 HEC HBC2 H -3.752 -4.632 3.432 1.00 . D A . 71 HEC HBC2 1 1 31 37856 4 2 1 HEC HBC3 H -3.560 -4.429 1.679 1.00 . D A . 71 HEC HBC3 1 1 31 37857 4 2 1 HEC HBD1 H 5.539 -4.317 7.164 1.00 . D A . 71 HEC HBD1 1 1 31 37858 4 2 1 HEC HBD2 H 5.931 -3.144 5.909 1.00 . D A . 71 HEC HBD2 1 1 31 37859 4 2 1 HEC HHA H 4.043 -4.661 8.851 1.00 . D A . 71 HEC HHA 1 1 31 37860 4 2 1 HEC HHB H 1.056 -9.946 10.845 1.00 . D A . 71 HEC HHB 1 1 31 37861 4 2 1 HEC HHC H -2.735 -9.637 5.716 1.00 . D A . 71 HEC HHC 1 1 31 37862 4 2 1 HEC HHD H 0.327 -4.508 3.724 1.00 . D A . 71 HEC HHD 1 1 31 37863 4 2 1 HEC HMA1 H 2.293 -8.614 12.873 1.00 . D A . 71 HEC HMA1 1 1 31 37864 4 2 1 HEC HMA2 H 3.207 -9.737 11.834 1.00 . D A . 71 HEC HMA2 1 1 31 37865 4 2 1 HEC HMA3 H 4.027 -8.370 12.582 1.00 . D A . 71 HEC HMA3 1 1 31 37866 4 2 1 HEC HMB1 H 0.272 -12.107 10.308 1.00 . D A . 71 HEC HMB1 1 1 31 37867 4 2 1 HEC HMB2 H -1.216 -11.495 11.064 1.00 . D A . 71 HEC HMB2 1 1 31 37868 4 2 1 HEC HMB3 H -1.294 -12.719 9.773 1.00 . D A . 71 HEC HMB3 1 1 31 37869 4 2 1 HEC HMC1 H -4.185 -8.264 3.930 1.00 . D A . 71 HEC HMC1 1 1 31 37870 4 2 1 HEC HMC2 H -3.262 -8.033 2.414 1.00 . D A . 71 HEC HMC2 1 1 31 37871 4 2 1 HEC HMC3 H -2.925 -9.416 3.437 1.00 . D A . 71 HEC HMC3 1 1 31 37872 4 2 1 HEC HMD1 H 1.118 -2.417 4.209 1.00 . D A . 71 HEC HMD1 1 1 31 37873 4 2 1 HEC HMD2 H 2.796 -1.878 4.461 1.00 . D A . 71 HEC HMD2 1 1 31 37874 4 2 1 HEC HMD3 H 2.372 -3.202 3.343 1.00 . D A . 71 HEC HMD3 1 1 31 37875 4 2 1 HEC NA N 1.790 -7.212 8.970 1.00 . D A . 71 HEC NA 1 1 31 37876 4 2 1 HEC NB N -0.285 -8.871 7.924 1.00 . D A . 71 HEC NB 1 1 31 37877 4 2 1 HEC NC N -0.575 -7.091 5.724 1.00 . D A . 71 HEC NC 1 1 31 37878 4 2 1 HEC ND N 1.602 -5.526 6.684 1.00 . D A . 71 HEC ND 1 1 31 37879 4 2 1 HEC O1A O 7.065 -5.279 11.964 1.00 . D A . 71 HEC O1A 1 1 31 37880 4 2 1 HEC O1D O 7.635 -2.625 7.798 1.00 . D A . 71 HEC O1D 1 1 31 37881 4 2 1 HEC O2A O 8.244 -6.830 10.875 1.00 . D A . 71 HEC O2A 1 1 31 37882 4 2 1 HEC O2D O 5.822 -1.903 8.868 1.00 . D A . 71 HEC O2D 1 1 32 37883 1 1 1 ALA C C 10.040 2.444 -8.726 1.00 . A A . 1 ALA C 1 1 32 37884 1 1 1 ALA CA C 11.405 3.096 -8.552 1.00 . A A . 1 ALA CA 1 1 32 37885 1 1 1 ALA CB C 12.198 2.385 -7.448 1.00 . A A . 1 ALA CB 1 1 32 37886 1 1 1 ALA H1 H 10.570 4.556 -7.432 1.00 . A A . 1 ALA H1 1 1 32 37887 1 1 1 ALA H2 H 12.074 4.966 -8.009 1.00 . A A . 1 ALA H2 1 1 32 37888 1 1 1 ALA H3 H 10.754 4.972 -9.010 1.00 . A A . 1 ALA H3 1 1 32 37889 1 1 1 ALA HA H 11.973 3.027 -9.481 1.00 . A A . 1 ALA HA 1 1 32 37890 1 1 1 ALA HB1 H 13.187 2.834 -7.349 1.00 . A A . 1 ALA HB1 1 1 32 37891 1 1 1 ALA HB2 H 11.674 2.459 -6.494 1.00 . A A . 1 ALA HB2 1 1 32 37892 1 1 1 ALA HB3 H 12.314 1.331 -7.702 1.00 . A A . 1 ALA HB3 1 1 32 37893 1 1 1 ALA N N 11.198 4.516 -8.225 1.00 . A A . 1 ALA N 1 1 32 37894 1 1 1 ALA O O 9.226 2.535 -7.810 1.00 . A A . 1 ALA O 1 1 32 37895 1 1 2 ASP C C 7.957 0.292 -9.368 1.00 . A A . 2 ASP C 1 1 32 37896 1 1 2 ASP CA C 8.528 1.308 -10.344 1.00 . A A . 2 ASP CA 1 1 32 37897 1 1 2 ASP CB C 8.791 0.644 -11.701 1.00 . A A . 2 ASP CB 1 1 32 37898 1 1 2 ASP CG C 9.269 1.650 -12.735 1.00 . A A . 2 ASP CG 1 1 32 37899 1 1 2 ASP H H 10.423 1.958 -10.694 1.00 . A A . 2 ASP H 1 1 32 37900 1 1 2 ASP HA H 7.832 2.137 -10.455 1.00 . A A . 2 ASP HA 1 1 32 37901 1 1 2 ASP HB2 H 9.558 -0.123 -11.595 1.00 . A A . 2 ASP HB2 1 1 32 37902 1 1 2 ASP HB3 H 7.889 0.161 -12.059 1.00 . A A . 2 ASP HB3 1 1 32 37903 1 1 2 ASP N N 9.786 1.866 -9.900 1.00 . A A . 2 ASP N 1 1 32 37904 1 1 2 ASP O O 6.749 0.254 -9.138 1.00 . A A . 2 ASP O 1 1 32 37905 1 1 2 ASP OD1 O 10.347 2.232 -12.464 1.00 . A A . 2 ASP OD1 1 1 32 37906 1 1 2 ASP OD2 O 8.546 1.832 -13.736 1.00 . A A . 2 ASP OD2 1 1 32 37907 1 1 3 VAL C C 9.631 -1.576 -6.818 1.00 . A A . 3 VAL C 1 1 32 37908 1 1 3 VAL CA C 8.507 -1.563 -7.849 1.00 . A A . 3 VAL CA 1 1 32 37909 1 1 3 VAL CB C 8.273 -2.911 -8.561 1.00 . A A . 3 VAL CB 1 1 32 37910 1 1 3 VAL CG1 C 9.386 -3.256 -9.561 1.00 . A A . 3 VAL CG1 1 1 32 37911 1 1 3 VAL CG2 C 8.101 -4.071 -7.570 1.00 . A A . 3 VAL CG2 1 1 32 37912 1 1 3 VAL H H 9.816 -0.435 -9.037 1.00 . A A . 3 VAL H 1 1 32 37913 1 1 3 VAL HA H 7.591 -1.264 -7.352 1.00 . A A . 3 VAL HA 1 1 32 37914 1 1 3 VAL HB H 7.343 -2.826 -9.125 1.00 . A A . 3 VAL HB 1 1 32 37915 1 1 3 VAL HG11 H 9.418 -2.522 -10.367 1.00 . A A . 3 VAL HG11 1 1 32 37916 1 1 3 VAL HG12 H 10.354 -3.284 -9.061 1.00 . A A . 3 VAL HG12 1 1 32 37917 1 1 3 VAL HG13 H 9.188 -4.233 -10.003 1.00 . A A . 3 VAL HG13 1 1 32 37918 1 1 3 VAL HG21 H 7.811 -4.970 -8.113 1.00 . A A . 3 VAL HG21 1 1 32 37919 1 1 3 VAL HG22 H 9.034 -4.267 -7.042 1.00 . A A . 3 VAL HG22 1 1 32 37920 1 1 3 VAL HG23 H 7.318 -3.836 -6.850 1.00 . A A . 3 VAL HG23 1 1 32 37921 1 1 3 VAL N N 8.836 -0.543 -8.821 1.00 . A A . 3 VAL N 1 1 32 37922 1 1 3 VAL O O 10.780 -1.303 -7.167 1.00 . A A . 3 VAL O 1 1 32 37923 1 1 4 VAL C C 9.587 -2.813 -3.386 1.00 . A A . 4 VAL C 1 1 32 37924 1 1 4 VAL CA C 10.267 -1.987 -4.471 1.00 . A A . 4 VAL CA 1 1 32 37925 1 1 4 VAL CB C 10.726 -0.595 -3.972 1.00 . A A . 4 VAL CB 1 1 32 37926 1 1 4 VAL CG1 C 9.617 0.177 -3.247 1.00 . A A . 4 VAL CG1 1 1 32 37927 1 1 4 VAL CG2 C 11.947 -0.656 -3.043 1.00 . A A . 4 VAL CG2 1 1 32 37928 1 1 4 VAL H H 8.345 -2.085 -5.312 1.00 . A A . 4 VAL H 1 1 32 37929 1 1 4 VAL HA H 11.129 -2.543 -4.843 1.00 . A A . 4 VAL HA 1 1 32 37930 1 1 4 VAL HB H 11.024 -0.017 -4.846 1.00 . A A . 4 VAL HB 1 1 32 37931 1 1 4 VAL HG11 H 9.244 -0.393 -2.389 1.00 . A A . 4 VAL HG11 1 1 32 37932 1 1 4 VAL HG12 H 10.009 1.128 -2.888 1.00 . A A . 4 VAL HG12 1 1 32 37933 1 1 4 VAL HG13 H 8.805 0.386 -3.942 1.00 . A A . 4 VAL HG13 1 1 32 37934 1 1 4 VAL HG21 H 12.428 0.322 -3.023 1.00 . A A . 4 VAL HG21 1 1 32 37935 1 1 4 VAL HG22 H 11.653 -0.901 -2.022 1.00 . A A . 4 VAL HG22 1 1 32 37936 1 1 4 VAL HG23 H 12.664 -1.393 -3.406 1.00 . A A . 4 VAL HG23 1 1 32 37937 1 1 4 VAL N N 9.304 -1.846 -5.552 1.00 . A A . 4 VAL N 1 1 32 37938 1 1 4 VAL O O 8.434 -3.219 -3.540 1.00 . A A . 4 VAL O 1 1 32 37939 1 1 5 THR C C 10.408 -3.106 0.151 1.00 . A A . 5 THR C 1 1 32 37940 1 1 5 THR CA C 9.622 -3.507 -1.074 1.00 . A A . 5 THR CA 1 1 32 37941 1 1 5 THR CB C 9.515 -5.039 -1.170 1.00 . A A . 5 THR CB 1 1 32 37942 1 1 5 THR CG2 C 10.856 -5.749 -1.393 1.00 . A A . 5 THR CG2 1 1 32 37943 1 1 5 THR H H 11.237 -2.775 -2.169 1.00 . A A . 5 THR H 1 1 32 37944 1 1 5 THR HA H 8.664 -2.958 -0.955 1.00 . A A . 5 THR HA 1 1 32 37945 1 1 5 THR HB H 8.864 -5.279 -2.003 1.00 . A A . 5 THR HB 1 1 32 37946 1 1 5 THR HG1 H 8.200 -4.954 0.172 1.00 . A A . 5 THR HG1 1 1 32 37947 1 1 5 THR HG21 H 11.542 -5.539 -0.572 1.00 . A A . 5 THR HG21 1 1 32 37948 1 1 5 THR HG22 H 10.685 -6.825 -1.437 1.00 . A A . 5 THR HG22 1 1 32 37949 1 1 5 THR HG23 H 11.307 -5.433 -2.333 1.00 . A A . 5 THR HG23 1 1 32 37950 1 1 5 THR N N 10.265 -3.022 -2.262 1.00 . A A . 5 THR N 1 1 32 37951 1 1 5 THR O O 11.615 -2.874 0.101 1.00 . A A . 5 THR O 1 1 32 37952 1 1 5 THR OG1 O 8.949 -5.535 0.011 1.00 . A A . 5 THR OG1 1 1 32 37953 1 1 6 TYR C C 10.051 -4.033 3.298 1.00 . A A . 6 TYR C 1 1 32 37954 1 1 6 TYR CA C 10.120 -2.701 2.563 1.00 . A A . 6 TYR CA 1 1 32 37955 1 1 6 TYR CB C 9.240 -1.599 3.173 1.00 . A A . 6 TYR CB 1 1 32 37956 1 1 6 TYR CD1 C 9.692 0.019 1.243 1.00 . A A . 6 TYR CD1 1 1 32 37957 1 1 6 TYR CD2 C 9.458 0.918 3.484 1.00 . A A . 6 TYR CD2 1 1 32 37958 1 1 6 TYR CE1 C 9.990 1.294 0.750 1.00 . A A . 6 TYR CE1 1 1 32 37959 1 1 6 TYR CE2 C 9.680 2.214 2.975 1.00 . A A . 6 TYR CE2 1 1 32 37960 1 1 6 TYR CG C 9.491 -0.196 2.621 1.00 . A A . 6 TYR CG 1 1 32 37961 1 1 6 TYR CZ C 10.023 2.389 1.622 1.00 . A A . 6 TYR CZ 1 1 32 37962 1 1 6 TYR H H 8.669 -3.216 1.126 1.00 . A A . 6 TYR H 1 1 32 37963 1 1 6 TYR HA H 11.149 -2.346 2.553 1.00 . A A . 6 TYR HA 1 1 32 37964 1 1 6 TYR HB2 H 8.188 -1.850 3.030 1.00 . A A . 6 TYR HB2 1 1 32 37965 1 1 6 TYR HB3 H 9.431 -1.595 4.246 1.00 . A A . 6 TYR HB3 1 1 32 37966 1 1 6 TYR HD1 H 9.461 -0.727 0.508 1.00 . A A . 6 TYR HD1 1 1 32 37967 1 1 6 TYR HD2 H 9.219 0.786 4.530 1.00 . A A . 6 TYR HD2 1 1 32 37968 1 1 6 TYR HE1 H 10.015 1.443 -0.319 1.00 . A A . 6 TYR HE1 1 1 32 37969 1 1 6 TYR HE2 H 9.534 3.072 3.615 1.00 . A A . 6 TYR HE2 1 1 32 37970 1 1 6 TYR HH H 10.280 4.328 1.775 1.00 . A A . 6 TYR HH 1 1 32 37971 1 1 6 TYR N N 9.651 -3.005 1.237 1.00 . A A . 6 TYR N 1 1 32 37972 1 1 6 TYR O O 8.971 -4.459 3.710 1.00 . A A . 6 TYR O 1 1 32 37973 1 1 6 TYR OH O 10.289 3.619 1.109 1.00 . A A . 6 TYR OH 1 1 32 37974 1 1 7 GLU C C 10.889 -5.720 5.570 1.00 . A A . 7 GLU C 1 1 32 37975 1 1 7 GLU CA C 11.271 -5.984 4.110 1.00 . A A . 7 GLU CA 1 1 32 37976 1 1 7 GLU CB C 12.642 -6.648 3.908 1.00 . A A . 7 GLU CB 1 1 32 37977 1 1 7 GLU CD C 13.991 -6.446 6.092 1.00 . A A . 7 GLU CD 1 1 32 37978 1 1 7 GLU CG C 13.806 -5.967 4.650 1.00 . A A . 7 GLU CG 1 1 32 37979 1 1 7 GLU H H 12.022 -4.370 2.942 1.00 . A A . 7 GLU H 1 1 32 37980 1 1 7 GLU HA H 10.530 -6.655 3.679 1.00 . A A . 7 GLU HA 1 1 32 37981 1 1 7 GLU HB2 H 12.584 -7.692 4.221 1.00 . A A . 7 GLU HB2 1 1 32 37982 1 1 7 GLU HB3 H 12.864 -6.644 2.840 1.00 . A A . 7 GLU HB3 1 1 32 37983 1 1 7 GLU HG2 H 14.732 -6.202 4.125 1.00 . A A . 7 GLU HG2 1 1 32 37984 1 1 7 GLU HG3 H 13.676 -4.885 4.649 1.00 . A A . 7 GLU HG3 1 1 32 37985 1 1 7 GLU N N 11.184 -4.740 3.364 1.00 . A A . 7 GLU N 1 1 32 37986 1 1 7 GLU O O 11.142 -4.637 6.097 1.00 . A A . 7 GLU O 1 1 32 37987 1 1 7 GLU OE1 O 13.212 -7.325 6.525 1.00 . A A . 7 GLU OE1 1 1 32 37988 1 1 7 GLU OE2 O 14.940 -5.945 6.731 1.00 . A A . 7 GLU OE2 1 1 32 37989 1 1 8 ASN C C 9.502 -7.864 8.158 1.00 . A A . 8 ASN C 1 1 32 37990 1 1 8 ASN CA C 9.547 -6.506 7.472 1.00 . A A . 8 ASN CA 1 1 32 37991 1 1 8 ASN CB C 8.149 -5.891 7.317 1.00 . A A . 8 ASN CB 1 1 32 37992 1 1 8 ASN CG C 7.261 -6.623 6.319 1.00 . A A . 8 ASN CG 1 1 32 37993 1 1 8 ASN H H 10.012 -7.551 5.705 1.00 . A A . 8 ASN H 1 1 32 37994 1 1 8 ASN HA H 10.151 -5.839 8.089 1.00 . A A . 8 ASN HA 1 1 32 37995 1 1 8 ASN HB2 H 7.648 -5.879 8.285 1.00 . A A . 8 ASN HB2 1 1 32 37996 1 1 8 ASN HB3 H 8.267 -4.865 6.970 1.00 . A A . 8 ASN HB3 1 1 32 37997 1 1 8 ASN HD21 H 8.068 -5.590 4.769 1.00 . A A . 8 ASN HD21 1 1 32 37998 1 1 8 ASN HD22 H 6.851 -6.780 4.344 1.00 . A A . 8 ASN HD22 1 1 32 37999 1 1 8 ASN N N 10.175 -6.666 6.175 1.00 . A A . 8 ASN N 1 1 32 38000 1 1 8 ASN ND2 N 7.408 -6.319 5.036 1.00 . A A . 8 ASN ND2 1 1 32 38001 1 1 8 ASN O O 9.605 -8.905 7.515 1.00 . A A . 8 ASN O 1 1 32 38002 1 1 8 ASN OD1 O 6.434 -7.457 6.678 1.00 . A A . 8 ASN OD1 1 1 32 38003 1 1 9 LYS C C 8.503 -10.142 9.831 1.00 . A A . 9 LYS C 1 1 32 38004 1 1 9 LYS CA C 9.528 -9.089 10.263 1.00 . A A . 9 LYS CA 1 1 32 38005 1 1 9 LYS CB C 9.430 -8.746 11.750 1.00 . A A . 9 LYS CB 1 1 32 38006 1 1 9 LYS CD C 10.889 -9.339 13.750 1.00 . A A . 9 LYS CD 1 1 32 38007 1 1 9 LYS CE C 12.160 -8.605 13.274 1.00 . A A . 9 LYS CE 1 1 32 38008 1 1 9 LYS CG C 9.975 -9.875 12.636 1.00 . A A . 9 LYS CG 1 1 32 38009 1 1 9 LYS H H 9.271 -6.985 9.965 1.00 . A A . 9 LYS H 1 1 32 38010 1 1 9 LYS HA H 10.525 -9.477 10.051 1.00 . A A . 9 LYS HA 1 1 32 38011 1 1 9 LYS HB2 H 9.978 -7.823 11.929 1.00 . A A . 9 LYS HB2 1 1 32 38012 1 1 9 LYS HB3 H 8.389 -8.559 12.007 1.00 . A A . 9 LYS HB3 1 1 32 38013 1 1 9 LYS HD2 H 10.297 -8.651 14.358 1.00 . A A . 9 LYS HD2 1 1 32 38014 1 1 9 LYS HD3 H 11.173 -10.181 14.385 1.00 . A A . 9 LYS HD3 1 1 32 38015 1 1 9 LYS HE2 H 11.906 -7.607 12.912 1.00 . A A . 9 LYS HE2 1 1 32 38016 1 1 9 LYS HE3 H 12.823 -8.477 14.132 1.00 . A A . 9 LYS HE3 1 1 32 38017 1 1 9 LYS HG2 H 9.116 -10.362 13.107 1.00 . A A . 9 LYS HG2 1 1 32 38018 1 1 9 LYS HG3 H 10.486 -10.636 12.047 1.00 . A A . 9 LYS HG3 1 1 32 38019 1 1 9 LYS HZ1 H 13.719 -8.811 11.951 1.00 . A A . 9 LYS HZ1 1 1 32 38020 1 1 9 LYS HZ2 H 13.151 -10.247 12.519 1.00 . A A . 9 LYS HZ2 1 1 32 38021 1 1 9 LYS HZ3 H 12.301 -9.402 11.385 1.00 . A A . 9 LYS HZ3 1 1 32 38022 1 1 9 LYS N N 9.380 -7.868 9.486 1.00 . A A . 9 LYS N 1 1 32 38023 1 1 9 LYS NZ N 12.885 -9.325 12.206 1.00 . A A . 9 LYS NZ 1 1 32 38024 1 1 9 LYS O O 8.842 -11.313 9.659 1.00 . A A . 9 LYS O 1 1 32 38025 1 1 10 LYS C C 6.730 -11.025 7.647 1.00 . A A . 10 LYS C 1 1 32 38026 1 1 10 LYS CA C 6.208 -10.461 8.977 1.00 . A A . 10 LYS CA 1 1 32 38027 1 1 10 LYS CB C 4.950 -9.574 8.903 1.00 . A A . 10 LYS CB 1 1 32 38028 1 1 10 LYS CD C 2.910 -11.027 8.042 1.00 . A A . 10 LYS CD 1 1 32 38029 1 1 10 LYS CE C 3.553 -12.381 7.726 1.00 . A A . 10 LYS CE 1 1 32 38030 1 1 10 LYS CG C 3.861 -9.836 7.854 1.00 . A A . 10 LYS CG 1 1 32 38031 1 1 10 LYS H H 7.083 -8.727 9.847 1.00 . A A . 10 LYS H 1 1 32 38032 1 1 10 LYS HA H 5.970 -11.312 9.617 1.00 . A A . 10 LYS HA 1 1 32 38033 1 1 10 LYS HB2 H 4.477 -9.589 9.883 1.00 . A A . 10 LYS HB2 1 1 32 38034 1 1 10 LYS HB3 H 5.281 -8.551 8.718 1.00 . A A . 10 LYS HB3 1 1 32 38035 1 1 10 LYS HD2 H 2.519 -11.023 9.061 1.00 . A A . 10 LYS HD2 1 1 32 38036 1 1 10 LYS HD3 H 2.076 -10.853 7.357 1.00 . A A . 10 LYS HD3 1 1 32 38037 1 1 10 LYS HE2 H 4.253 -12.270 6.899 1.00 . A A . 10 LYS HE2 1 1 32 38038 1 1 10 LYS HE3 H 4.094 -12.712 8.614 1.00 . A A . 10 LYS HE3 1 1 32 38039 1 1 10 LYS HG2 H 3.225 -8.951 7.920 1.00 . A A . 10 LYS HG2 1 1 32 38040 1 1 10 LYS HG3 H 4.294 -9.846 6.857 1.00 . A A . 10 LYS HG3 1 1 32 38041 1 1 10 LYS HZ1 H 1.776 -13.450 7.962 1.00 . A A . 10 LYS HZ1 1 1 32 38042 1 1 10 LYS HZ2 H 2.209 -13.246 6.380 1.00 . A A . 10 LYS HZ2 1 1 32 38043 1 1 10 LYS HZ3 H 2.991 -14.314 7.269 1.00 . A A . 10 LYS HZ3 1 1 32 38044 1 1 10 LYS N N 7.261 -9.696 9.625 1.00 . A A . 10 LYS N 1 1 32 38045 1 1 10 LYS NZ N 2.559 -13.404 7.330 1.00 . A A . 10 LYS NZ 1 1 32 38046 1 1 10 LYS O O 6.922 -12.238 7.555 1.00 . A A . 10 LYS O 1 1 32 38047 1 1 11 GLY C C 8.061 -9.541 4.452 1.00 . A A . 11 GLY C 1 1 32 38048 1 1 11 GLY CA C 7.470 -10.653 5.326 1.00 . A A . 11 GLY CA 1 1 32 38049 1 1 11 GLY H H 6.894 -9.198 6.779 1.00 . A A . 11 GLY H 1 1 32 38050 1 1 11 GLY HA2 H 8.264 -11.384 5.480 1.00 . A A . 11 GLY HA2 1 1 32 38051 1 1 11 GLY HA3 H 6.644 -11.130 4.799 1.00 . A A . 11 GLY HA3 1 1 32 38052 1 1 11 GLY N N 6.985 -10.195 6.627 1.00 . A A . 11 GLY N 1 1 32 38053 1 1 11 GLY O O 8.995 -8.852 4.851 1.00 . A A . 11 GLY O 1 1 32 38054 1 1 12 ASN C C 6.788 -7.707 1.697 1.00 . A A . 12 ASN C 1 1 32 38055 1 1 12 ASN CA C 8.031 -8.357 2.282 1.00 . A A . 12 ASN CA 1 1 32 38056 1 1 12 ASN CB C 8.858 -8.952 1.133 1.00 . A A . 12 ASN CB 1 1 32 38057 1 1 12 ASN CG C 10.233 -9.522 1.489 1.00 . A A . 12 ASN CG 1 1 32 38058 1 1 12 ASN H H 6.823 -9.983 2.897 1.00 . A A . 12 ASN H 1 1 32 38059 1 1 12 ASN HA H 8.624 -7.590 2.779 1.00 . A A . 12 ASN HA 1 1 32 38060 1 1 12 ASN HB2 H 8.261 -9.721 0.650 1.00 . A A . 12 ASN HB2 1 1 32 38061 1 1 12 ASN HB3 H 9.031 -8.164 0.401 1.00 . A A . 12 ASN HB3 1 1 32 38062 1 1 12 ASN HD21 H 10.184 -8.913 3.452 1.00 . A A . 12 ASN HD21 1 1 32 38063 1 1 12 ASN HD22 H 11.641 -9.720 2.913 1.00 . A A . 12 ASN HD22 1 1 32 38064 1 1 12 ASN N N 7.570 -9.385 3.218 1.00 . A A . 12 ASN N 1 1 32 38065 1 1 12 ASN ND2 N 10.720 -9.361 2.717 1.00 . A A . 12 ASN ND2 1 1 32 38066 1 1 12 ASN O O 5.976 -8.403 1.090 1.00 . A A . 12 ASN O 1 1 32 38067 1 1 12 ASN OD1 O 10.878 -10.122 0.638 1.00 . A A . 12 ASN OD1 1 1 32 38068 1 1 13 VAL C C 5.780 -5.200 0.017 1.00 . A A . 13 VAL C 1 1 32 38069 1 1 13 VAL CA C 5.502 -5.608 1.458 1.00 . A A . 13 VAL CA 1 1 32 38070 1 1 13 VAL CB C 5.355 -4.363 2.349 1.00 . A A . 13 VAL CB 1 1 32 38071 1 1 13 VAL CG1 C 4.465 -3.283 1.717 1.00 . A A . 13 VAL CG1 1 1 32 38072 1 1 13 VAL CG2 C 4.745 -4.760 3.694 1.00 . A A . 13 VAL CG2 1 1 32 38073 1 1 13 VAL H H 7.401 -5.909 2.363 1.00 . A A . 13 VAL H 1 1 32 38074 1 1 13 VAL HA H 4.578 -6.186 1.505 1.00 . A A . 13 VAL HA 1 1 32 38075 1 1 13 VAL HB H 6.342 -3.930 2.519 1.00 . A A . 13 VAL HB 1 1 32 38076 1 1 13 VAL HG11 H 4.440 -2.416 2.372 1.00 . A A . 13 VAL HG11 1 1 32 38077 1 1 13 VAL HG12 H 4.847 -2.931 0.766 1.00 . A A . 13 VAL HG12 1 1 32 38078 1 1 13 VAL HG13 H 3.463 -3.678 1.558 1.00 . A A . 13 VAL HG13 1 1 32 38079 1 1 13 VAL HG21 H 3.681 -4.962 3.580 1.00 . A A . 13 VAL HG21 1 1 32 38080 1 1 13 VAL HG22 H 5.209 -5.657 4.085 1.00 . A A . 13 VAL HG22 1 1 32 38081 1 1 13 VAL HG23 H 4.902 -3.949 4.404 1.00 . A A . 13 VAL HG23 1 1 32 38082 1 1 13 VAL N N 6.630 -6.403 1.929 1.00 . A A . 13 VAL N 1 1 32 38083 1 1 13 VAL O O 6.604 -4.316 -0.210 1.00 . A A . 13 VAL O 1 1 32 38084 1 1 14 THR C C 4.797 -4.059 -2.624 1.00 . A A . 14 THR C 1 1 32 38085 1 1 14 THR CA C 5.346 -5.462 -2.345 1.00 . A A . 14 THR CA 1 1 32 38086 1 1 14 THR CB C 4.722 -6.528 -3.250 1.00 . A A . 14 THR CB 1 1 32 38087 1 1 14 THR CG2 C 5.056 -6.297 -4.727 1.00 . A A . 14 THR CG2 1 1 32 38088 1 1 14 THR H H 4.421 -6.527 -0.722 1.00 . A A . 14 THR H 1 1 32 38089 1 1 14 THR HA H 6.425 -5.462 -2.516 1.00 . A A . 14 THR HA 1 1 32 38090 1 1 14 THR HB H 3.639 -6.537 -3.129 1.00 . A A . 14 THR HB 1 1 32 38091 1 1 14 THR HG1 H 4.865 -7.999 -1.995 1.00 . A A . 14 THR HG1 1 1 32 38092 1 1 14 THR HG21 H 6.135 -6.278 -4.872 1.00 . A A . 14 THR HG21 1 1 32 38093 1 1 14 THR HG22 H 4.628 -7.106 -5.322 1.00 . A A . 14 THR HG22 1 1 32 38094 1 1 14 THR HG23 H 4.623 -5.357 -5.071 1.00 . A A . 14 THR HG23 1 1 32 38095 1 1 14 THR N N 5.115 -5.818 -0.953 1.00 . A A . 14 THR N 1 1 32 38096 1 1 14 THR O O 3.586 -3.849 -2.573 1.00 . A A . 14 THR O 1 1 32 38097 1 1 14 THR OG1 O 5.229 -7.785 -2.859 1.00 . A A . 14 THR OG1 1 1 32 38098 1 1 15 PHE C C 5.114 -1.946 -4.946 1.00 . A A . 15 PHE C 1 1 32 38099 1 1 15 PHE CA C 5.254 -1.806 -3.446 1.00 . A A . 15 PHE CA 1 1 32 38100 1 1 15 PHE CB C 6.292 -0.712 -3.219 1.00 . A A . 15 PHE CB 1 1 32 38101 1 1 15 PHE CD1 C 6.257 -0.828 -0.693 1.00 . A A . 15 PHE CD1 1 1 32 38102 1 1 15 PHE CD2 C 6.618 1.314 -1.795 1.00 . A A . 15 PHE CD2 1 1 32 38103 1 1 15 PHE CE1 C 6.475 -0.225 0.553 1.00 . A A . 15 PHE CE1 1 1 32 38104 1 1 15 PHE CE2 C 6.941 1.888 -0.564 1.00 . A A . 15 PHE CE2 1 1 32 38105 1 1 15 PHE CG C 6.320 -0.057 -1.866 1.00 . A A . 15 PHE CG 1 1 32 38106 1 1 15 PHE CZ C 6.851 1.124 0.609 1.00 . A A . 15 PHE CZ 1 1 32 38107 1 1 15 PHE H H 6.672 -3.300 -2.927 1.00 . A A . 15 PHE H 1 1 32 38108 1 1 15 PHE HA H 4.309 -1.481 -3.007 1.00 . A A . 15 PHE HA 1 1 32 38109 1 1 15 PHE HB2 H 7.271 -1.115 -3.437 1.00 . A A . 15 PHE HB2 1 1 32 38110 1 1 15 PHE HB3 H 6.093 0.077 -3.947 1.00 . A A . 15 PHE HB3 1 1 32 38111 1 1 15 PHE HD1 H 6.111 -1.892 -0.747 1.00 . A A . 15 PHE HD1 1 1 32 38112 1 1 15 PHE HD2 H 6.718 1.908 -2.693 1.00 . A A . 15 PHE HD2 1 1 32 38113 1 1 15 PHE HE1 H 6.482 -0.826 1.451 1.00 . A A . 15 PHE HE1 1 1 32 38114 1 1 15 PHE HE2 H 7.359 2.880 -0.548 1.00 . A A . 15 PHE HE2 1 1 32 38115 1 1 15 PHE HZ H 7.288 1.498 1.513 1.00 . A A . 15 PHE HZ 1 1 32 38116 1 1 15 PHE N N 5.675 -3.094 -2.918 1.00 . A A . 15 PHE N 1 1 32 38117 1 1 15 PHE O O 6.108 -1.862 -5.665 1.00 . A A . 15 PHE O 1 1 32 38118 1 1 16 ASP C C 3.452 -0.386 -7.058 1.00 . A A . 16 ASP C 1 1 32 38119 1 1 16 ASP CA C 3.544 -1.897 -6.807 1.00 . A A . 16 ASP CA 1 1 32 38120 1 1 16 ASP CB C 2.243 -2.685 -7.051 1.00 . A A . 16 ASP CB 1 1 32 38121 1 1 16 ASP CG C 2.551 -4.060 -7.617 1.00 . A A . 16 ASP CG 1 1 32 38122 1 1 16 ASP H H 3.130 -2.180 -4.748 1.00 . A A . 16 ASP H 1 1 32 38123 1 1 16 ASP HA H 4.328 -2.298 -7.454 1.00 . A A . 16 ASP HA 1 1 32 38124 1 1 16 ASP HB2 H 1.704 -2.826 -6.117 1.00 . A A . 16 ASP HB2 1 1 32 38125 1 1 16 ASP HB3 H 1.568 -2.196 -7.743 1.00 . A A . 16 ASP HB3 1 1 32 38126 1 1 16 ASP N N 3.883 -2.073 -5.412 1.00 . A A . 16 ASP N 1 1 32 38127 1 1 16 ASP O O 2.361 0.166 -7.094 1.00 . A A . 16 ASP O 1 1 32 38128 1 1 16 ASP OD1 O 2.846 -4.107 -8.830 1.00 . A A . 16 ASP OD1 1 1 32 38129 1 1 16 ASP OD2 O 2.505 -5.022 -6.823 1.00 . A A . 16 ASP OD2 1 1 32 38130 1 1 17 HIS C C 4.022 2.372 -8.441 1.00 . A A . 17 HIS C 1 1 32 38131 1 1 17 HIS CA C 4.609 1.779 -7.149 1.00 . A A . 17 HIS CA 1 1 32 38132 1 1 17 HIS CB C 6.056 2.240 -6.869 1.00 . A A . 17 HIS CB 1 1 32 38133 1 1 17 HIS CD2 C 5.284 4.519 -5.934 1.00 . A A . 17 HIS CD2 1 1 32 38134 1 1 17 HIS CE1 C 7.094 5.084 -4.840 1.00 . A A . 17 HIS CE1 1 1 32 38135 1 1 17 HIS CG C 6.220 3.538 -6.123 1.00 . A A . 17 HIS CG 1 1 32 38136 1 1 17 HIS H H 5.459 -0.184 -7.252 1.00 . A A . 17 HIS H 1 1 32 38137 1 1 17 HIS HA H 3.983 2.088 -6.309 1.00 . A A . 17 HIS HA 1 1 32 38138 1 1 17 HIS HB2 H 6.546 1.480 -6.259 1.00 . A A . 17 HIS HB2 1 1 32 38139 1 1 17 HIS HB3 H 6.625 2.339 -7.789 1.00 . A A . 17 HIS HB3 1 1 32 38140 1 1 17 HIS HD1 H 8.218 3.388 -5.406 1.00 . A A . 17 HIS HD1 1 1 32 38141 1 1 17 HIS HD2 H 4.284 4.525 -6.330 1.00 . A A . 17 HIS HD2 1 1 32 38142 1 1 17 HIS HE1 H 7.782 5.616 -4.206 1.00 . A A . 17 HIS HE1 1 1 32 38143 1 1 17 HIS N N 4.581 0.315 -7.191 1.00 . A A . 17 HIS N 1 1 32 38144 1 1 17 HIS ND1 N 7.356 3.913 -5.446 1.00 . A A . 17 HIS ND1 1 1 32 38145 1 1 17 HIS NE2 N 5.843 5.491 -5.098 1.00 . A A . 17 HIS NE2 1 1 32 38146 1 1 17 HIS O O 2.908 2.899 -8.461 1.00 . A A . 17 HIS O 1 1 32 38147 1 1 18 LYS C C 3.048 1.914 -11.214 1.00 . A A . 18 LYS C 1 1 32 38148 1 1 18 LYS CA C 4.378 2.579 -10.900 1.00 . A A . 18 LYS CA 1 1 32 38149 1 1 18 LYS CB C 5.507 2.129 -11.833 1.00 . A A . 18 LYS CB 1 1 32 38150 1 1 18 LYS CD C 5.063 0.208 -13.420 1.00 . A A . 18 LYS CD 1 1 32 38151 1 1 18 LYS CE C 4.881 -0.184 -14.893 1.00 . A A . 18 LYS CE 1 1 32 38152 1 1 18 LYS CG C 5.131 1.731 -13.261 1.00 . A A . 18 LYS CG 1 1 32 38153 1 1 18 LYS H H 5.633 1.726 -9.421 1.00 . A A . 18 LYS H 1 1 32 38154 1 1 18 LYS HA H 4.258 3.654 -11.005 1.00 . A A . 18 LYS HA 1 1 32 38155 1 1 18 LYS HB2 H 6.228 2.947 -11.889 1.00 . A A . 18 LYS HB2 1 1 32 38156 1 1 18 LYS HB3 H 5.999 1.269 -11.391 1.00 . A A . 18 LYS HB3 1 1 32 38157 1 1 18 LYS HD2 H 6.003 -0.210 -13.045 1.00 . A A . 18 LYS HD2 1 1 32 38158 1 1 18 LYS HD3 H 4.240 -0.171 -12.824 1.00 . A A . 18 LYS HD3 1 1 32 38159 1 1 18 LYS HE2 H 4.430 0.644 -15.441 1.00 . A A . 18 LYS HE2 1 1 32 38160 1 1 18 LYS HE3 H 5.858 -0.394 -15.333 1.00 . A A . 18 LYS HE3 1 1 32 38161 1 1 18 LYS HG2 H 4.226 2.232 -13.614 1.00 . A A . 18 LYS HG2 1 1 32 38162 1 1 18 LYS HG3 H 5.963 2.046 -13.871 1.00 . A A . 18 LYS HG3 1 1 32 38163 1 1 18 LYS HZ1 H 3.883 -1.581 -16.027 1.00 . A A . 18 LYS HZ1 1 1 32 38164 1 1 18 LYS HZ2 H 4.321 -2.154 -14.535 1.00 . A A . 18 LYS HZ2 1 1 32 38165 1 1 18 LYS HZ3 H 3.057 -1.114 -14.720 1.00 . A A . 18 LYS HZ3 1 1 32 38166 1 1 18 LYS N N 4.771 2.242 -9.537 1.00 . A A . 18 LYS N 1 1 32 38167 1 1 18 LYS NZ N 3.991 -1.354 -15.051 1.00 . A A . 18 LYS NZ 1 1 32 38168 1 1 18 LYS O O 2.122 2.537 -11.707 1.00 . A A . 18 LYS O 1 1 32 38169 1 1 19 ALA C C 0.524 0.573 -10.328 1.00 . A A . 19 ALA C 1 1 32 38170 1 1 19 ALA CA C 1.734 -0.145 -10.952 1.00 . A A . 19 ALA CA 1 1 32 38171 1 1 19 ALA CB C 2.005 -1.456 -10.250 1.00 . A A . 19 ALA CB 1 1 32 38172 1 1 19 ALA H H 3.844 0.197 -10.676 1.00 . A A . 19 ALA H 1 1 32 38173 1 1 19 ALA HA H 1.503 -0.380 -11.988 1.00 . A A . 19 ALA HA 1 1 32 38174 1 1 19 ALA HB1 H 2.676 -2.075 -10.845 1.00 . A A . 19 ALA HB1 1 1 32 38175 1 1 19 ALA HB2 H 2.493 -1.186 -9.324 1.00 . A A . 19 ALA HB2 1 1 32 38176 1 1 19 ALA HB3 H 1.072 -1.985 -10.061 1.00 . A A . 19 ALA HB3 1 1 32 38177 1 1 19 ALA N N 2.960 0.634 -10.901 1.00 . A A . 19 ALA N 1 1 32 38178 1 1 19 ALA O O -0.470 0.806 -11.009 1.00 . A A . 19 ALA O 1 1 32 38179 1 1 20 HIS C C -0.694 3.019 -9.225 1.00 . A A . 20 HIS C 1 1 32 38180 1 1 20 HIS CA C -0.541 1.705 -8.460 1.00 . A A . 20 HIS CA 1 1 32 38181 1 1 20 HIS CB C -0.370 1.925 -6.944 1.00 . A A . 20 HIS CB 1 1 32 38182 1 1 20 HIS CD2 C -1.739 0.538 -5.199 1.00 . A A . 20 HIS CD2 1 1 32 38183 1 1 20 HIS CE1 C -0.625 -1.332 -5.352 1.00 . A A . 20 HIS CE1 1 1 32 38184 1 1 20 HIS CG C -0.731 0.706 -6.125 1.00 . A A . 20 HIS CG 1 1 32 38185 1 1 20 HIS H H 1.403 0.808 -8.494 1.00 . A A . 20 HIS H 1 1 32 38186 1 1 20 HIS HA H -1.466 1.144 -8.602 1.00 . A A . 20 HIS HA 1 1 32 38187 1 1 20 HIS HB2 H 0.660 2.211 -6.733 1.00 . A A . 20 HIS HB2 1 1 32 38188 1 1 20 HIS HB3 H -1.003 2.747 -6.625 1.00 . A A . 20 HIS HB3 1 1 32 38189 1 1 20 HIS HD1 H 0.777 -0.639 -6.755 1.00 . A A . 20 HIS HD1 1 1 32 38190 1 1 20 HIS HD2 H -2.457 1.279 -4.890 1.00 . A A . 20 HIS HD2 1 1 32 38191 1 1 20 HIS HE1 H -0.271 -2.335 -5.220 1.00 . A A . 20 HIS HE1 1 1 32 38192 1 1 20 HIS N N 0.563 0.944 -9.043 1.00 . A A . 20 HIS N 1 1 32 38193 1 1 20 HIS ND1 N -0.055 -0.477 -6.202 1.00 . A A . 20 HIS ND1 1 1 32 38194 1 1 20 HIS NE2 N -1.659 -0.775 -4.706 1.00 . A A . 20 HIS NE2 1 1 32 38195 1 1 20 HIS O O -1.812 3.472 -9.457 1.00 . A A . 20 HIS O 1 1 32 38196 1 1 21 ALA C C -0.495 4.692 -11.712 1.00 . A A . 21 ALA C 1 1 32 38197 1 1 21 ALA CA C 0.342 4.861 -10.430 1.00 . A A . 21 ALA CA 1 1 32 38198 1 1 21 ALA CB C 1.741 5.424 -10.706 1.00 . A A . 21 ALA CB 1 1 32 38199 1 1 21 ALA H H 1.307 3.146 -9.511 1.00 . A A . 21 ALA H 1 1 32 38200 1 1 21 ALA HA H -0.165 5.590 -9.798 1.00 . A A . 21 ALA HA 1 1 32 38201 1 1 21 ALA HB1 H 2.239 4.893 -11.512 1.00 . A A . 21 ALA HB1 1 1 32 38202 1 1 21 ALA HB2 H 1.646 6.467 -11.007 1.00 . A A . 21 ALA HB2 1 1 32 38203 1 1 21 ALA HB3 H 2.358 5.360 -9.808 1.00 . A A . 21 ALA HB3 1 1 32 38204 1 1 21 ALA N N 0.413 3.617 -9.665 1.00 . A A . 21 ALA N 1 1 32 38205 1 1 21 ALA O O -1.418 5.455 -11.959 1.00 . A A . 21 ALA O 1 1 32 38206 1 1 22 GLU C C -2.314 2.930 -13.576 1.00 . A A . 22 GLU C 1 1 32 38207 1 1 22 GLU CA C -0.888 3.447 -13.800 1.00 . A A . 22 GLU CA 1 1 32 38208 1 1 22 GLU CB C -0.032 2.552 -14.720 1.00 . A A . 22 GLU CB 1 1 32 38209 1 1 22 GLU CD C 1.261 0.328 -14.881 1.00 . A A . 22 GLU CD 1 1 32 38210 1 1 22 GLU CG C 0.155 1.122 -14.197 1.00 . A A . 22 GLU CG 1 1 32 38211 1 1 22 GLU H H 0.483 3.031 -12.205 1.00 . A A . 22 GLU H 1 1 32 38212 1 1 22 GLU HA H -0.975 4.411 -14.306 1.00 . A A . 22 GLU HA 1 1 32 38213 1 1 22 GLU HB2 H -0.491 2.501 -15.709 1.00 . A A . 22 GLU HB2 1 1 32 38214 1 1 22 GLU HB3 H 0.949 3.017 -14.826 1.00 . A A . 22 GLU HB3 1 1 32 38215 1 1 22 GLU HG2 H 0.445 1.185 -13.160 1.00 . A A . 22 GLU HG2 1 1 32 38216 1 1 22 GLU HG3 H -0.776 0.563 -14.282 1.00 . A A . 22 GLU HG3 1 1 32 38217 1 1 22 GLU N N -0.219 3.676 -12.524 1.00 . A A . 22 GLU N 1 1 32 38218 1 1 22 GLU O O -3.238 3.339 -14.273 1.00 . A A . 22 GLU O 1 1 32 38219 1 1 22 GLU OE1 O 1.969 0.876 -15.750 1.00 . A A . 22 GLU OE1 1 1 32 38220 1 1 22 GLU OE2 O 1.465 -0.839 -14.479 1.00 . A A . 22 GLU OE2 1 1 32 38221 1 1 23 LYS C C -4.743 2.569 -11.684 1.00 . A A . 23 LYS C 1 1 32 38222 1 1 23 LYS CA C -3.816 1.497 -12.271 1.00 . A A . 23 LYS CA 1 1 32 38223 1 1 23 LYS CB C -3.673 0.298 -11.316 1.00 . A A . 23 LYS CB 1 1 32 38224 1 1 23 LYS CD C -3.593 -1.626 -13.026 1.00 . A A . 23 LYS CD 1 1 32 38225 1 1 23 LYS CE C -4.197 -2.958 -12.557 1.00 . A A . 23 LYS CE 1 1 32 38226 1 1 23 LYS CG C -2.858 -0.864 -11.915 1.00 . A A . 23 LYS CG 1 1 32 38227 1 1 23 LYS H H -1.698 1.699 -12.080 1.00 . A A . 23 LYS H 1 1 32 38228 1 1 23 LYS HA H -4.280 1.164 -13.199 1.00 . A A . 23 LYS HA 1 1 32 38229 1 1 23 LYS HB2 H -3.169 0.641 -10.412 1.00 . A A . 23 LYS HB2 1 1 32 38230 1 1 23 LYS HB3 H -4.664 -0.057 -11.034 1.00 . A A . 23 LYS HB3 1 1 32 38231 1 1 23 LYS HD2 H -4.352 -0.986 -13.476 1.00 . A A . 23 LYS HD2 1 1 32 38232 1 1 23 LYS HD3 H -2.856 -1.847 -13.800 1.00 . A A . 23 LYS HD3 1 1 32 38233 1 1 23 LYS HE2 H -4.645 -3.468 -13.414 1.00 . A A . 23 LYS HE2 1 1 32 38234 1 1 23 LYS HE3 H -3.405 -3.599 -12.161 1.00 . A A . 23 LYS HE3 1 1 32 38235 1 1 23 LYS HG2 H -1.948 -0.468 -12.362 1.00 . A A . 23 LYS HG2 1 1 32 38236 1 1 23 LYS HG3 H -2.546 -1.543 -11.120 1.00 . A A . 23 LYS HG3 1 1 32 38237 1 1 23 LYS HZ1 H -5.590 -3.690 -11.217 1.00 . A A . 23 LYS HZ1 1 1 32 38238 1 1 23 LYS HZ2 H -4.848 -2.338 -10.702 1.00 . A A . 23 LYS HZ2 1 1 32 38239 1 1 23 LYS HZ3 H -6.017 -2.251 -11.863 1.00 . A A . 23 LYS HZ3 1 1 32 38240 1 1 23 LYS N N -2.504 2.040 -12.595 1.00 . A A . 23 LYS N 1 1 32 38241 1 1 23 LYS NZ N -5.231 -2.781 -11.521 1.00 . A A . 23 LYS NZ 1 1 32 38242 1 1 23 LYS O O -5.944 2.538 -11.947 1.00 . A A . 23 LYS O 1 1 32 38243 1 1 24 LEU C C -4.764 5.882 -10.589 1.00 . A A . 24 LEU C 1 1 32 38244 1 1 24 LEU CA C -4.984 4.452 -10.096 1.00 . A A . 24 LEU CA 1 1 32 38245 1 1 24 LEU CB C -4.653 4.362 -8.602 1.00 . A A . 24 LEU CB 1 1 32 38246 1 1 24 LEU CD1 C -4.104 2.773 -6.748 1.00 . A A . 24 LEU CD1 1 1 32 38247 1 1 24 LEU CD2 C -6.418 2.815 -7.707 1.00 . A A . 24 LEU CD2 1 1 32 38248 1 1 24 LEU CG C -4.929 2.969 -8.016 1.00 . A A . 24 LEU CG 1 1 32 38249 1 1 24 LEU H H -3.215 3.392 -10.660 1.00 . A A . 24 LEU H 1 1 32 38250 1 1 24 LEU HA H -6.050 4.248 -10.190 1.00 . A A . 24 LEU HA 1 1 32 38251 1 1 24 LEU HB2 H -3.614 4.637 -8.436 1.00 . A A . 24 LEU HB2 1 1 32 38252 1 1 24 LEU HB3 H -5.263 5.095 -8.077 1.00 . A A . 24 LEU HB3 1 1 32 38253 1 1 24 LEU HD11 H -4.390 1.848 -6.251 1.00 . A A . 24 LEU HD11 1 1 32 38254 1 1 24 LEU HD12 H -3.064 2.702 -7.041 1.00 . A A . 24 LEU HD12 1 1 32 38255 1 1 24 LEU HD13 H -4.222 3.615 -6.070 1.00 . A A . 24 LEU HD13 1 1 32 38256 1 1 24 LEU HD21 H -6.989 2.792 -8.633 1.00 . A A . 24 LEU HD21 1 1 32 38257 1 1 24 LEU HD22 H -6.585 1.887 -7.162 1.00 . A A . 24 LEU HD22 1 1 32 38258 1 1 24 LEU HD23 H -6.752 3.656 -7.101 1.00 . A A . 24 LEU HD23 1 1 32 38259 1 1 24 LEU HG H -4.622 2.183 -8.705 1.00 . A A . 24 LEU HG 1 1 32 38260 1 1 24 LEU N N -4.206 3.472 -10.857 1.00 . A A . 24 LEU N 1 1 32 38261 1 1 24 LEU O O -5.729 6.575 -10.901 1.00 . A A . 24 LEU O 1 1 32 38262 1 1 25 GLY C C -1.851 8.084 -10.335 1.00 . A A . 25 GLY C 1 1 32 38263 1 1 25 GLY CA C -3.163 7.702 -11.009 1.00 . A A . 25 GLY CA 1 1 32 38264 1 1 25 GLY H H -2.721 5.723 -10.491 1.00 . A A . 25 GLY H 1 1 32 38265 1 1 25 GLY HA2 H -3.043 7.740 -12.087 1.00 . A A . 25 GLY HA2 1 1 32 38266 1 1 25 GLY HA3 H -3.940 8.411 -10.719 1.00 . A A . 25 GLY HA3 1 1 32 38267 1 1 25 GLY N N -3.513 6.351 -10.609 1.00 . A A . 25 GLY N 1 1 32 38268 1 1 25 GLY O O -0.777 7.997 -10.925 1.00 . A A . 25 GLY O 1 1 32 38269 1 1 26 CYS C C -1.568 9.458 -6.908 1.00 . A A . 26 CYS C 1 1 32 38270 1 1 26 CYS CA C -0.903 8.967 -8.193 1.00 . A A . 26 CYS CA 1 1 32 38271 1 1 26 CYS CB C -0.119 10.105 -8.823 1.00 . A A . 26 CYS CB 1 1 32 38272 1 1 26 CYS H H -2.906 8.467 -8.698 1.00 . A A . 26 CYS H 1 1 32 38273 1 1 26 CYS HA H -0.249 8.130 -7.960 1.00 . A A . 26 CYS HA 1 1 32 38274 1 1 26 CYS HB2 H -0.027 10.019 -9.901 1.00 . A A . 26 CYS HB2 1 1 32 38275 1 1 26 CYS HB3 H -0.617 11.055 -8.625 1.00 . A A . 26 CYS HB3 1 1 32 38276 1 1 26 CYS N N -1.969 8.484 -9.071 1.00 . A A . 26 CYS N 1 1 32 38277 1 1 26 CYS O O -1.152 9.147 -5.789 1.00 . A A . 26 CYS O 1 1 32 38278 1 1 26 CYS SG S 1.557 10.180 -8.137 1.00 . A A . 26 CYS SG 1 1 32 38279 1 1 27 ASP C C -3.852 10.041 -5.004 1.00 . A A . 27 ASP C 1 1 32 38280 1 1 27 ASP CA C -3.395 10.968 -6.114 1.00 . A A . 27 ASP CA 1 1 32 38281 1 1 27 ASP CB C -4.622 11.648 -6.745 1.00 . A A . 27 ASP CB 1 1 32 38282 1 1 27 ASP CG C -4.387 12.188 -8.152 1.00 . A A . 27 ASP CG 1 1 32 38283 1 1 27 ASP H H -2.978 10.337 -8.069 1.00 . A A . 27 ASP H 1 1 32 38284 1 1 27 ASP HA H -2.726 11.728 -5.712 1.00 . A A . 27 ASP HA 1 1 32 38285 1 1 27 ASP HB2 H -5.443 10.934 -6.812 1.00 . A A . 27 ASP HB2 1 1 32 38286 1 1 27 ASP HB3 H -4.931 12.456 -6.077 1.00 . A A . 27 ASP HB3 1 1 32 38287 1 1 27 ASP N N -2.653 10.208 -7.109 1.00 . A A . 27 ASP N 1 1 32 38288 1 1 27 ASP O O -3.876 10.415 -3.837 1.00 . A A . 27 ASP O 1 1 32 38289 1 1 27 ASP OD1 O -4.042 11.345 -9.017 1.00 . A A . 27 ASP OD1 1 1 32 38290 1 1 27 ASP OD2 O -4.556 13.410 -8.340 1.00 . A A . 27 ASP OD2 1 1 32 38291 1 1 28 ALA C C -3.570 7.687 -3.278 1.00 . A A . 28 ALA C 1 1 32 38292 1 1 28 ALA CA C -4.409 7.657 -4.558 1.00 . A A . 28 ALA CA 1 1 32 38293 1 1 28 ALA CB C -4.103 6.391 -5.361 1.00 . A A . 28 ALA CB 1 1 32 38294 1 1 28 ALA H H -4.160 8.653 -6.411 1.00 . A A . 28 ALA H 1 1 32 38295 1 1 28 ALA HA H -5.464 7.664 -4.295 1.00 . A A . 28 ALA HA 1 1 32 38296 1 1 28 ALA HB1 H -3.094 6.438 -5.770 1.00 . A A . 28 ALA HB1 1 1 32 38297 1 1 28 ALA HB2 H -4.174 5.522 -4.707 1.00 . A A . 28 ALA HB2 1 1 32 38298 1 1 28 ALA HB3 H -4.818 6.289 -6.177 1.00 . A A . 28 ALA HB3 1 1 32 38299 1 1 28 ALA N N -4.175 8.808 -5.412 1.00 . A A . 28 ALA N 1 1 32 38300 1 1 28 ALA O O -4.077 7.345 -2.212 1.00 . A A . 28 ALA O 1 1 32 38301 1 1 29 CYS C C -0.725 9.525 -2.148 1.00 . A A . 29 CYS C 1 1 32 38302 1 1 29 CYS CA C -1.360 8.134 -2.282 1.00 . A A . 29 CYS CA 1 1 32 38303 1 1 29 CYS CB C -0.320 7.058 -2.447 1.00 . A A . 29 CYS CB 1 1 32 38304 1 1 29 CYS H H -1.955 8.316 -4.324 1.00 . A A . 29 CYS H 1 1 32 38305 1 1 29 CYS HA H -1.884 7.938 -1.345 1.00 . A A . 29 CYS HA 1 1 32 38306 1 1 29 CYS HB2 H 0.309 7.320 -3.298 1.00 . A A . 29 CYS HB2 1 1 32 38307 1 1 29 CYS HB3 H 0.298 7.003 -1.551 1.00 . A A . 29 CYS HB3 1 1 32 38308 1 1 29 CYS N N -2.293 8.067 -3.400 1.00 . A A . 29 CYS N 1 1 32 38309 1 1 29 CYS O O -0.468 9.969 -1.031 1.00 . A A . 29 CYS O 1 1 32 38310 1 1 29 CYS SG S -1.128 5.443 -2.732 1.00 . A A . 29 CYS SG 1 1 32 38311 1 1 30 HIS C C -0.514 12.634 -3.756 1.00 . A A . 30 HIS C 1 1 32 38312 1 1 30 HIS CA C 0.316 11.465 -3.260 1.00 . A A . 30 HIS CA 1 1 32 38313 1 1 30 HIS CB C 1.551 11.301 -4.130 1.00 . A A . 30 HIS CB 1 1 32 38314 1 1 30 HIS CD2 C 2.880 9.166 -4.342 1.00 . A A . 30 HIS CD2 1 1 32 38315 1 1 30 HIS CE1 C 4.044 9.225 -2.501 1.00 . A A . 30 HIS CE1 1 1 32 38316 1 1 30 HIS CG C 2.458 10.230 -3.627 1.00 . A A . 30 HIS CG 1 1 32 38317 1 1 30 HIS H H -0.688 9.825 -4.162 1.00 . A A . 30 HIS H 1 1 32 38318 1 1 30 HIS HA H 0.631 11.738 -2.253 1.00 . A A . 30 HIS HA 1 1 32 38319 1 1 30 HIS HB2 H 1.237 11.077 -5.152 1.00 . A A . 30 HIS HB2 1 1 32 38320 1 1 30 HIS HB3 H 2.101 12.238 -4.152 1.00 . A A . 30 HIS HB3 1 1 32 38321 1 1 30 HIS HD1 H 3.011 10.960 -1.757 1.00 . A A . 30 HIS HD1 1 1 32 38322 1 1 30 HIS HD2 H 2.520 8.909 -5.313 1.00 . A A . 30 HIS HD2 1 1 32 38323 1 1 30 HIS HE1 H 4.799 8.979 -1.770 1.00 . A A . 30 HIS HE1 1 1 32 38324 1 1 30 HIS N N -0.442 10.216 -3.259 1.00 . A A . 30 HIS N 1 1 32 38325 1 1 30 HIS ND1 N 3.158 10.250 -2.456 1.00 . A A . 30 HIS ND1 1 1 32 38326 1 1 30 HIS NE2 N 3.905 8.539 -3.645 1.00 . A A . 30 HIS NE2 1 1 32 38327 1 1 30 HIS O O -0.086 13.388 -4.631 1.00 . A A . 30 HIS O 1 1 32 38328 1 1 31 GLU C C -1.991 15.228 -3.437 1.00 . A A . 31 GLU C 1 1 32 38329 1 1 31 GLU CA C -2.622 13.836 -3.544 1.00 . A A . 31 GLU CA 1 1 32 38330 1 1 31 GLU CB C -3.945 13.726 -2.774 1.00 . A A . 31 GLU CB 1 1 32 38331 1 1 31 GLU CD C -5.001 13.641 -0.452 1.00 . A A . 31 GLU CD 1 1 32 38332 1 1 31 GLU CG C -3.760 13.362 -1.295 1.00 . A A . 31 GLU CG 1 1 32 38333 1 1 31 GLU H H -1.869 12.162 -2.386 1.00 . A A . 31 GLU H 1 1 32 38334 1 1 31 GLU HA H -2.855 13.689 -4.594 1.00 . A A . 31 GLU HA 1 1 32 38335 1 1 31 GLU HB2 H -4.463 14.681 -2.865 1.00 . A A . 31 GLU HB2 1 1 32 38336 1 1 31 GLU HB3 H -4.573 12.959 -3.230 1.00 . A A . 31 GLU HB3 1 1 32 38337 1 1 31 GLU HG2 H -3.539 12.296 -1.232 1.00 . A A . 31 GLU HG2 1 1 32 38338 1 1 31 GLU HG3 H -2.941 13.934 -0.874 1.00 . A A . 31 GLU HG3 1 1 32 38339 1 1 31 GLU N N -1.678 12.800 -3.147 1.00 . A A . 31 GLU N 1 1 32 38340 1 1 31 GLU O O -2.120 16.048 -4.342 1.00 . A A . 31 GLU O 1 1 32 38341 1 1 31 GLU OE1 O -5.708 14.621 -0.774 1.00 . A A . 31 GLU OE1 1 1 32 38342 1 1 31 GLU OE2 O -5.204 12.886 0.521 1.00 . A A . 31 GLU OE2 1 1 32 38343 1 1 32 GLY C C 0.827 16.790 -2.252 1.00 . A A . 32 GLY C 1 1 32 38344 1 1 32 GLY CA C -0.685 16.782 -2.048 1.00 . A A . 32 GLY CA 1 1 32 38345 1 1 32 GLY H H -1.212 14.760 -1.640 1.00 . A A . 32 GLY H 1 1 32 38346 1 1 32 GLY HA2 H -1.120 17.564 -2.672 1.00 . A A . 32 GLY HA2 1 1 32 38347 1 1 32 GLY HA3 H -0.900 17.029 -1.008 1.00 . A A . 32 GLY HA3 1 1 32 38348 1 1 32 GLY N N -1.282 15.487 -2.335 1.00 . A A . 32 GLY N 1 1 32 38349 1 1 32 GLY O O 1.519 17.486 -1.514 1.00 . A A . 32 GLY O 1 1 32 38350 1 1 33 THR C C 3.409 14.804 -2.873 1.00 . A A . 33 THR C 1 1 32 38351 1 1 33 THR CA C 2.753 15.968 -3.633 1.00 . A A . 33 THR CA 1 1 32 38352 1 1 33 THR CB C 3.546 17.276 -3.392 1.00 . A A . 33 THR CB 1 1 32 38353 1 1 33 THR CG2 C 4.860 17.342 -4.174 1.00 . A A . 33 THR CG2 1 1 32 38354 1 1 33 THR H H 0.678 15.547 -3.828 1.00 . A A . 33 THR H 1 1 32 38355 1 1 33 THR HA H 2.749 15.771 -4.704 1.00 . A A . 33 THR HA 1 1 32 38356 1 1 33 THR HB H 3.803 17.353 -2.333 1.00 . A A . 33 THR HB 1 1 32 38357 1 1 33 THR HG1 H 2.168 18.564 -3.028 1.00 . A A . 33 THR HG1 1 1 32 38358 1 1 33 THR HG21 H 5.532 16.542 -3.863 1.00 . A A . 33 THR HG21 1 1 32 38359 1 1 33 THR HG22 H 4.666 17.275 -5.244 1.00 . A A . 33 THR HG22 1 1 32 38360 1 1 33 THR HG23 H 5.348 18.295 -3.967 1.00 . A A . 33 THR HG23 1 1 32 38361 1 1 33 THR N N 1.333 16.077 -3.269 1.00 . A A . 33 THR N 1 1 32 38362 1 1 33 THR O O 3.164 14.646 -1.678 1.00 . A A . 33 THR O 1 1 32 38363 1 1 33 THR OG1 O 2.785 18.409 -3.754 1.00 . A A . 33 THR OG1 1 1 32 38364 1 1 34 PRO C C 6.137 13.716 -1.991 1.00 . A A . 34 PRO C 1 1 32 38365 1 1 34 PRO CA C 5.067 13.004 -2.815 1.00 . A A . 34 PRO CA 1 1 32 38366 1 1 34 PRO CB C 5.686 12.105 -3.877 1.00 . A A . 34 PRO CB 1 1 32 38367 1 1 34 PRO CD C 4.514 13.928 -4.946 1.00 . A A . 34 PRO CD 1 1 32 38368 1 1 34 PRO CG C 5.718 13.002 -5.102 1.00 . A A . 34 PRO CG 1 1 32 38369 1 1 34 PRO HA H 4.466 12.373 -2.176 1.00 . A A . 34 PRO HA 1 1 32 38370 1 1 34 PRO HB2 H 6.675 11.749 -3.589 1.00 . A A . 34 PRO HB2 1 1 32 38371 1 1 34 PRO HB3 H 5.035 11.261 -4.090 1.00 . A A . 34 PRO HB3 1 1 32 38372 1 1 34 PRO HD2 H 4.756 14.900 -5.371 1.00 . A A . 34 PRO HD2 1 1 32 38373 1 1 34 PRO HD3 H 3.656 13.502 -5.466 1.00 . A A . 34 PRO HD3 1 1 32 38374 1 1 34 PRO HG2 H 6.636 13.583 -5.084 1.00 . A A . 34 PRO HG2 1 1 32 38375 1 1 34 PRO HG3 H 5.638 12.397 -5.996 1.00 . A A . 34 PRO HG3 1 1 32 38376 1 1 34 PRO N N 4.247 13.975 -3.520 1.00 . A A . 34 PRO N 1 1 32 38377 1 1 34 PRO O O 6.866 14.557 -2.514 1.00 . A A . 34 PRO O 1 1 32 38378 1 1 35 ALA C C 7.475 12.799 1.279 1.00 . A A . 35 ALA C 1 1 32 38379 1 1 35 ALA CA C 7.272 13.853 0.191 1.00 . A A . 35 ALA CA 1 1 32 38380 1 1 35 ALA CB C 6.848 15.214 0.746 1.00 . A A . 35 ALA CB 1 1 32 38381 1 1 35 ALA H H 5.586 12.694 -0.326 1.00 . A A . 35 ALA H 1 1 32 38382 1 1 35 ALA HA H 8.215 13.971 -0.347 1.00 . A A . 35 ALA HA 1 1 32 38383 1 1 35 ALA HB1 H 5.906 15.119 1.287 1.00 . A A . 35 ALA HB1 1 1 32 38384 1 1 35 ALA HB2 H 7.617 15.596 1.416 1.00 . A A . 35 ALA HB2 1 1 32 38385 1 1 35 ALA HB3 H 6.716 15.914 -0.082 1.00 . A A . 35 ALA HB3 1 1 32 38386 1 1 35 ALA N N 6.242 13.359 -0.710 1.00 . A A . 35 ALA N 1 1 32 38387 1 1 35 ALA O O 7.380 13.092 2.469 1.00 . A A . 35 ALA O 1 1 32 38388 1 1 36 LYS C C 6.297 9.935 2.026 1.00 . A A . 36 LYS C 1 1 32 38389 1 1 36 LYS CA C 7.713 10.328 1.599 1.00 . A A . 36 LYS CA 1 1 32 38390 1 1 36 LYS CB C 8.684 10.388 2.789 1.00 . A A . 36 LYS CB 1 1 32 38391 1 1 36 LYS CD C 11.242 9.898 3.004 1.00 . A A . 36 LYS CD 1 1 32 38392 1 1 36 LYS CE C 10.885 8.414 2.920 1.00 . A A . 36 LYS CE 1 1 32 38393 1 1 36 LYS CG C 10.112 10.657 2.285 1.00 . A A . 36 LYS CG 1 1 32 38394 1 1 36 LYS H H 7.784 11.470 -0.177 1.00 . A A . 36 LYS H 1 1 32 38395 1 1 36 LYS HA H 8.053 9.553 0.917 1.00 . A A . 36 LYS HA 1 1 32 38396 1 1 36 LYS HB2 H 8.400 11.152 3.511 1.00 . A A . 36 LYS HB2 1 1 32 38397 1 1 36 LYS HB3 H 8.590 9.437 3.302 1.00 . A A . 36 LYS HB3 1 1 32 38398 1 1 36 LYS HD2 H 12.171 10.101 2.462 1.00 . A A . 36 LYS HD2 1 1 32 38399 1 1 36 LYS HD3 H 11.333 10.232 4.039 1.00 . A A . 36 LYS HD3 1 1 32 38400 1 1 36 LYS HE2 H 10.159 8.171 3.695 1.00 . A A . 36 LYS HE2 1 1 32 38401 1 1 36 LYS HE3 H 10.473 8.238 1.926 1.00 . A A . 36 LYS HE3 1 1 32 38402 1 1 36 LYS HG2 H 10.155 10.358 1.243 1.00 . A A . 36 LYS HG2 1 1 32 38403 1 1 36 LYS HG3 H 10.287 11.727 2.306 1.00 . A A . 36 LYS HG3 1 1 32 38404 1 1 36 LYS HZ1 H 12.374 7.484 4.007 1.00 . A A . 36 LYS HZ1 1 1 32 38405 1 1 36 LYS HZ2 H 11.486 6.541 2.963 1.00 . A A . 36 LYS HZ2 1 1 32 38406 1 1 36 LYS HZ3 H 12.667 7.548 2.362 1.00 . A A . 36 LYS HZ3 1 1 32 38407 1 1 36 LYS N N 7.717 11.565 0.825 1.00 . A A . 36 LYS N 1 1 32 38408 1 1 36 LYS NZ N 11.971 7.440 3.085 1.00 . A A . 36 LYS NZ 1 1 32 38409 1 1 36 LYS O O 5.391 10.765 1.943 1.00 . A A . 36 LYS O 1 1 32 38410 1 1 37 ILE C C 5.118 7.731 4.546 1.00 . A A . 37 ILE C 1 1 32 38411 1 1 37 ILE CA C 4.845 8.342 3.181 1.00 . A A . 37 ILE CA 1 1 32 38412 1 1 37 ILE CB C 3.895 7.432 2.379 1.00 . A A . 37 ILE CB 1 1 32 38413 1 1 37 ILE CD1 C 2.625 7.378 0.145 1.00 . A A . 37 ILE CD1 1 1 32 38414 1 1 37 ILE CG1 C 3.829 7.910 0.930 1.00 . A A . 37 ILE CG1 1 1 32 38415 1 1 37 ILE CG2 C 2.504 7.434 3.038 1.00 . A A . 37 ILE CG2 1 1 32 38416 1 1 37 ILE H H 6.863 7.992 2.378 1.00 . A A . 37 ILE H 1 1 32 38417 1 1 37 ILE HA H 4.299 9.255 3.399 1.00 . A A . 37 ILE HA 1 1 32 38418 1 1 37 ILE HB H 4.279 6.414 2.377 1.00 . A A . 37 ILE HB 1 1 32 38419 1 1 37 ILE HD11 H 2.508 6.308 0.289 1.00 . A A . 37 ILE HD11 1 1 32 38420 1 1 37 ILE HD12 H 1.716 7.883 0.473 1.00 . A A . 37 ILE HD12 1 1 32 38421 1 1 37 ILE HD13 H 2.754 7.579 -0.916 1.00 . A A . 37 ILE HD13 1 1 32 38422 1 1 37 ILE HG12 H 3.771 8.991 0.919 1.00 . A A . 37 ILE HG12 1 1 32 38423 1 1 37 ILE HG13 H 4.771 7.598 0.482 1.00 . A A . 37 ILE HG13 1 1 32 38424 1 1 37 ILE HG21 H 2.566 7.095 4.071 1.00 . A A . 37 ILE HG21 1 1 32 38425 1 1 37 ILE HG22 H 2.082 8.439 3.019 1.00 . A A . 37 ILE HG22 1 1 32 38426 1 1 37 ILE HG23 H 1.830 6.759 2.515 1.00 . A A . 37 ILE HG23 1 1 32 38427 1 1 37 ILE N N 6.092 8.679 2.459 1.00 . A A . 37 ILE N 1 1 32 38428 1 1 37 ILE O O 4.520 8.123 5.544 1.00 . A A . 37 ILE O 1 1 32 38429 1 1 38 ALA C C 5.351 4.993 6.101 1.00 . A A . 38 ALA C 1 1 32 38430 1 1 38 ALA CA C 6.442 5.980 5.707 1.00 . A A . 38 ALA CA 1 1 32 38431 1 1 38 ALA CB C 6.911 6.889 6.846 1.00 . A A . 38 ALA CB 1 1 32 38432 1 1 38 ALA H H 6.457 6.572 3.650 1.00 . A A . 38 ALA H 1 1 32 38433 1 1 38 ALA HA H 7.315 5.405 5.394 1.00 . A A . 38 ALA HA 1 1 32 38434 1 1 38 ALA HB1 H 7.403 6.282 7.606 1.00 . A A . 38 ALA HB1 1 1 32 38435 1 1 38 ALA HB2 H 7.622 7.609 6.442 1.00 . A A . 38 ALA HB2 1 1 32 38436 1 1 38 ALA HB3 H 6.078 7.416 7.308 1.00 . A A . 38 ALA HB3 1 1 32 38437 1 1 38 ALA N N 5.995 6.738 4.546 1.00 . A A . 38 ALA N 1 1 32 38438 1 1 38 ALA O O 4.666 5.122 7.117 1.00 . A A . 38 ALA O 1 1 32 38439 1 1 39 ILE C C 4.899 1.889 6.326 1.00 . A A . 39 ILE C 1 1 32 38440 1 1 39 ILE CA C 4.232 2.931 5.444 1.00 . A A . 39 ILE CA 1 1 32 38441 1 1 39 ILE CB C 3.756 2.372 4.112 1.00 . A A . 39 ILE CB 1 1 32 38442 1 1 39 ILE CD1 C 1.658 3.890 3.802 1.00 . A A . 39 ILE CD1 1 1 32 38443 1 1 39 ILE CG1 C 3.059 3.488 3.324 1.00 . A A . 39 ILE CG1 1 1 32 38444 1 1 39 ILE CG2 C 2.834 1.165 4.323 1.00 . A A . 39 ILE CG2 1 1 32 38445 1 1 39 ILE H H 5.722 3.992 4.381 1.00 . A A . 39 ILE H 1 1 32 38446 1 1 39 ILE HA H 3.349 3.315 5.952 1.00 . A A . 39 ILE HA 1 1 32 38447 1 1 39 ILE HB H 4.625 2.042 3.538 1.00 . A A . 39 ILE HB 1 1 32 38448 1 1 39 ILE HD11 H 1.231 4.591 3.086 1.00 . A A . 39 ILE HD11 1 1 32 38449 1 1 39 ILE HD12 H 0.995 3.030 3.863 1.00 . A A . 39 ILE HD12 1 1 32 38450 1 1 39 ILE HD13 H 1.715 4.382 4.772 1.00 . A A . 39 ILE HD13 1 1 32 38451 1 1 39 ILE HG12 H 3.678 4.382 3.279 1.00 . A A . 39 ILE HG12 1 1 32 38452 1 1 39 ILE HG13 H 3.000 3.105 2.326 1.00 . A A . 39 ILE HG13 1 1 32 38453 1 1 39 ILE HG21 H 2.440 0.826 3.367 1.00 . A A . 39 ILE HG21 1 1 32 38454 1 1 39 ILE HG22 H 3.400 0.350 4.766 1.00 . A A . 39 ILE HG22 1 1 32 38455 1 1 39 ILE HG23 H 2.013 1.416 4.993 1.00 . A A . 39 ILE HG23 1 1 32 38456 1 1 39 ILE N N 5.164 4.010 5.223 1.00 . A A . 39 ILE N 1 1 32 38457 1 1 39 ILE O O 5.637 1.024 5.856 1.00 . A A . 39 ILE O 1 1 32 38458 1 1 40 ASP C C 3.642 0.336 9.024 1.00 . A A . 40 ASP C 1 1 32 38459 1 1 40 ASP CA C 4.927 1.061 8.654 1.00 . A A . 40 ASP CA 1 1 32 38460 1 1 40 ASP CB C 5.433 1.805 9.901 1.00 . A A . 40 ASP CB 1 1 32 38461 1 1 40 ASP CG C 6.556 2.810 9.668 1.00 . A A . 40 ASP CG 1 1 32 38462 1 1 40 ASP H H 3.852 2.683 7.799 1.00 . A A . 40 ASP H 1 1 32 38463 1 1 40 ASP HA H 5.687 0.353 8.312 1.00 . A A . 40 ASP HA 1 1 32 38464 1 1 40 ASP HB2 H 4.598 2.346 10.340 1.00 . A A . 40 ASP HB2 1 1 32 38465 1 1 40 ASP HB3 H 5.793 1.076 10.626 1.00 . A A . 40 ASP HB3 1 1 32 38466 1 1 40 ASP N N 4.567 1.993 7.603 1.00 . A A . 40 ASP N 1 1 32 38467 1 1 40 ASP O O 2.558 0.758 8.619 1.00 . A A . 40 ASP O 1 1 32 38468 1 1 40 ASP OD1 O 7.278 2.676 8.656 1.00 . A A . 40 ASP OD1 1 1 32 38469 1 1 40 ASP OD2 O 6.678 3.696 10.541 1.00 . A A . 40 ASP OD2 1 1 32 38470 1 1 41 LYS C C 1.577 -0.445 10.945 1.00 . A A . 41 LYS C 1 1 32 38471 1 1 41 LYS CA C 2.598 -1.424 10.389 1.00 . A A . 41 LYS CA 1 1 32 38472 1 1 41 LYS CB C 3.084 -2.418 11.446 1.00 . A A . 41 LYS CB 1 1 32 38473 1 1 41 LYS CD C 4.687 -3.044 13.244 1.00 . A A . 41 LYS CD 1 1 32 38474 1 1 41 LYS CE C 5.674 -2.613 14.333 1.00 . A A . 41 LYS CE 1 1 32 38475 1 1 41 LYS CG C 4.043 -1.861 12.514 1.00 . A A . 41 LYS CG 1 1 32 38476 1 1 41 LYS H H 4.644 -1.162 9.955 1.00 . A A . 41 LYS H 1 1 32 38477 1 1 41 LYS HA H 2.130 -1.993 9.585 1.00 . A A . 41 LYS HA 1 1 32 38478 1 1 41 LYS HB2 H 2.215 -2.849 11.929 1.00 . A A . 41 LYS HB2 1 1 32 38479 1 1 41 LYS HB3 H 3.595 -3.211 10.912 1.00 . A A . 41 LYS HB3 1 1 32 38480 1 1 41 LYS HD2 H 3.908 -3.681 13.665 1.00 . A A . 41 LYS HD2 1 1 32 38481 1 1 41 LYS HD3 H 5.247 -3.613 12.498 1.00 . A A . 41 LYS HD3 1 1 32 38482 1 1 41 LYS HE2 H 6.434 -1.972 13.883 1.00 . A A . 41 LYS HE2 1 1 32 38483 1 1 41 LYS HE3 H 5.152 -2.055 15.112 1.00 . A A . 41 LYS HE3 1 1 32 38484 1 1 41 LYS HG2 H 4.844 -1.286 12.047 1.00 . A A . 41 LYS HG2 1 1 32 38485 1 1 41 LYS HG3 H 3.502 -1.231 13.220 1.00 . A A . 41 LYS HG3 1 1 32 38486 1 1 41 LYS HZ1 H 5.685 -4.383 15.406 1.00 . A A . 41 LYS HZ1 1 1 32 38487 1 1 41 LYS HZ2 H 6.708 -4.381 14.170 1.00 . A A . 41 LYS HZ2 1 1 32 38488 1 1 41 LYS HZ3 H 7.100 -3.536 15.535 1.00 . A A . 41 LYS HZ3 1 1 32 38489 1 1 41 LYS N N 3.735 -0.707 9.847 1.00 . A A . 41 LYS N 1 1 32 38490 1 1 41 LYS NZ N 6.342 -3.792 14.922 1.00 . A A . 41 LYS NZ 1 1 32 38491 1 1 41 LYS O O 0.385 -0.548 10.675 1.00 . A A . 41 LYS O 1 1 32 38492 1 1 42 LYS C C 0.406 2.236 11.102 1.00 . A A . 42 LYS C 1 1 32 38493 1 1 42 LYS CA C 1.305 1.648 12.193 1.00 . A A . 42 LYS CA 1 1 32 38494 1 1 42 LYS CB C 2.302 2.654 12.787 1.00 . A A . 42 LYS CB 1 1 32 38495 1 1 42 LYS CD C 1.109 4.210 14.525 1.00 . A A . 42 LYS CD 1 1 32 38496 1 1 42 LYS CE C -0.064 3.269 14.844 1.00 . A A . 42 LYS CE 1 1 32 38497 1 1 42 LYS CG C 1.735 4.031 13.131 1.00 . A A . 42 LYS CG 1 1 32 38498 1 1 42 LYS H H 3.074 0.588 11.794 1.00 . A A . 42 LYS H 1 1 32 38499 1 1 42 LYS HA H 0.651 1.254 12.965 1.00 . A A . 42 LYS HA 1 1 32 38500 1 1 42 LYS HB2 H 2.804 2.230 13.656 1.00 . A A . 42 LYS HB2 1 1 32 38501 1 1 42 LYS HB3 H 3.062 2.832 12.024 1.00 . A A . 42 LYS HB3 1 1 32 38502 1 1 42 LYS HD2 H 1.886 4.138 15.288 1.00 . A A . 42 LYS HD2 1 1 32 38503 1 1 42 LYS HD3 H 0.726 5.234 14.555 1.00 . A A . 42 LYS HD3 1 1 32 38504 1 1 42 LYS HE2 H -0.723 3.768 15.558 1.00 . A A . 42 LYS HE2 1 1 32 38505 1 1 42 LYS HE3 H -0.642 3.075 13.938 1.00 . A A . 42 LYS HE3 1 1 32 38506 1 1 42 LYS HG2 H 2.590 4.703 13.069 1.00 . A A . 42 LYS HG2 1 1 32 38507 1 1 42 LYS HG3 H 1.039 4.342 12.355 1.00 . A A . 42 LYS HG3 1 1 32 38508 1 1 42 LYS HZ1 H -0.405 1.383 15.583 1.00 . A A . 42 LYS HZ1 1 1 32 38509 1 1 42 LYS HZ2 H 1.069 1.551 14.871 1.00 . A A . 42 LYS HZ2 1 1 32 38510 1 1 42 LYS HZ3 H 0.801 2.184 16.363 1.00 . A A . 42 LYS HZ3 1 1 32 38511 1 1 42 LYS N N 2.074 0.538 11.693 1.00 . A A . 42 LYS N 1 1 32 38512 1 1 42 LYS NZ N 0.384 2.003 15.461 1.00 . A A . 42 LYS NZ 1 1 32 38513 1 1 42 LYS O O -0.786 2.354 11.343 1.00 . A A . 42 LYS O 1 1 32 38514 1 1 43 SER C C -0.598 2.285 8.078 1.00 . A A . 43 SER C 1 1 32 38515 1 1 43 SER CA C 0.237 3.296 8.874 1.00 . A A . 43 SER CA 1 1 32 38516 1 1 43 SER CB C 1.261 4.016 7.976 1.00 . A A . 43 SER CB 1 1 32 38517 1 1 43 SER H H 1.947 2.502 9.777 1.00 . A A . 43 SER H 1 1 32 38518 1 1 43 SER HA H -0.430 4.046 9.300 1.00 . A A . 43 SER HA 1 1 32 38519 1 1 43 SER HB2 H 1.221 3.633 6.956 1.00 . A A . 43 SER HB2 1 1 32 38520 1 1 43 SER HB3 H 0.993 5.068 7.948 1.00 . A A . 43 SER HB3 1 1 32 38521 1 1 43 SER HG H 3.178 4.521 8.057 1.00 . A A . 43 SER HG 1 1 32 38522 1 1 43 SER N N 0.955 2.634 9.953 1.00 . A A . 43 SER N 1 1 32 38523 1 1 43 SER O O -1.825 2.390 7.988 1.00 . A A . 43 SER O 1 1 32 38524 1 1 43 SER OG O 2.586 3.873 8.476 1.00 . A A . 43 SER OG 1 1 32 38525 1 1 44 ALA C C -1.689 -0.384 7.413 1.00 . A A . 44 ALA C 1 1 32 38526 1 1 44 ALA CA C -0.420 0.159 6.774 1.00 . A A . 44 ALA CA 1 1 32 38527 1 1 44 ALA CB C 0.648 -0.931 6.768 1.00 . A A . 44 ALA CB 1 1 32 38528 1 1 44 ALA H H 1.097 1.317 7.662 1.00 . A A . 44 ALA H 1 1 32 38529 1 1 44 ALA HA H -0.614 0.438 5.740 1.00 . A A . 44 ALA HA 1 1 32 38530 1 1 44 ALA HB1 H 1.577 -0.536 6.356 1.00 . A A . 44 ALA HB1 1 1 32 38531 1 1 44 ALA HB2 H 0.849 -1.285 7.778 1.00 . A A . 44 ALA HB2 1 1 32 38532 1 1 44 ALA HB3 H 0.285 -1.764 6.168 1.00 . A A . 44 ALA HB3 1 1 32 38533 1 1 44 ALA N N 0.098 1.303 7.505 1.00 . A A . 44 ALA N 1 1 32 38534 1 1 44 ALA O O -2.733 -0.471 6.765 1.00 . A A . 44 ALA O 1 1 32 38535 1 1 45 HIS C C -3.400 -0.326 10.314 1.00 . A A . 45 HIS C 1 1 32 38536 1 1 45 HIS CA C -2.630 -1.360 9.471 1.00 . A A . 45 HIS CA 1 1 32 38537 1 1 45 HIS CB C -2.091 -2.582 10.245 1.00 . A A . 45 HIS CB 1 1 32 38538 1 1 45 HIS CD2 C -0.601 -4.195 8.831 1.00 . A A . 45 HIS CD2 1 1 32 38539 1 1 45 HIS CE1 C -2.089 -5.733 8.383 1.00 . A A . 45 HIS CE1 1 1 32 38540 1 1 45 HIS CG C -1.802 -3.796 9.376 1.00 . A A . 45 HIS CG 1 1 32 38541 1 1 45 HIS H H -0.703 -0.519 9.177 1.00 . A A . 45 HIS H 1 1 32 38542 1 1 45 HIS HA H -3.363 -1.770 8.786 1.00 . A A . 45 HIS HA 1 1 32 38543 1 1 45 HIS HB2 H -1.207 -2.326 10.821 1.00 . A A . 45 HIS HB2 1 1 32 38544 1 1 45 HIS HB3 H -2.855 -2.891 10.959 1.00 . A A . 45 HIS HB3 1 1 32 38545 1 1 45 HIS HD1 H -3.678 -4.810 9.399 1.00 . A A . 45 HIS HD1 1 1 32 38546 1 1 45 HIS HD2 H 0.339 -3.671 8.900 1.00 . A A . 45 HIS HD2 1 1 32 38547 1 1 45 HIS HE1 H -2.562 -6.631 8.030 1.00 . A A . 45 HIS HE1 1 1 32 38548 1 1 45 HIS N N -1.574 -0.735 8.696 1.00 . A A . 45 HIS N 1 1 32 38549 1 1 45 HIS ND1 N -2.718 -4.781 9.092 1.00 . A A . 45 HIS ND1 1 1 32 38550 1 1 45 HIS NE2 N -0.795 -5.436 8.195 1.00 . A A . 45 HIS NE2 1 1 32 38551 1 1 45 HIS O O -4.189 -0.715 11.172 1.00 . A A . 45 HIS O 1 1 32 38552 1 1 46 LYS C C -5.277 2.120 9.301 1.00 . A A . 46 LYS C 1 1 32 38553 1 1 46 LYS CA C -4.221 2.014 10.402 1.00 . A A . 46 LYS CA 1 1 32 38554 1 1 46 LYS CB C -3.465 3.314 10.779 1.00 . A A . 46 LYS CB 1 1 32 38555 1 1 46 LYS CD C -5.548 4.934 10.803 1.00 . A A . 46 LYS CD 1 1 32 38556 1 1 46 LYS CE C -6.046 5.415 12.162 1.00 . A A . 46 LYS CE 1 1 32 38557 1 1 46 LYS CG C -4.048 4.727 10.583 1.00 . A A . 46 LYS CG 1 1 32 38558 1 1 46 LYS H H -2.606 1.238 9.285 1.00 . A A . 46 LYS H 1 1 32 38559 1 1 46 LYS HA H -4.750 1.700 11.304 1.00 . A A . 46 LYS HA 1 1 32 38560 1 1 46 LYS HB2 H -3.170 3.219 11.825 1.00 . A A . 46 LYS HB2 1 1 32 38561 1 1 46 LYS HB3 H -2.563 3.347 10.178 1.00 . A A . 46 LYS HB3 1 1 32 38562 1 1 46 LYS HD2 H -5.829 5.718 10.097 1.00 . A A . 46 LYS HD2 1 1 32 38563 1 1 46 LYS HD3 H -6.099 4.035 10.563 1.00 . A A . 46 LYS HD3 1 1 32 38564 1 1 46 LYS HE2 H -5.718 4.739 12.953 1.00 . A A . 46 LYS HE2 1 1 32 38565 1 1 46 LYS HE3 H -5.645 6.413 12.349 1.00 . A A . 46 LYS HE3 1 1 32 38566 1 1 46 LYS HG2 H -3.487 5.431 11.201 1.00 . A A . 46 LYS HG2 1 1 32 38567 1 1 46 LYS HG3 H -3.846 5.005 9.547 1.00 . A A . 46 LYS HG3 1 1 32 38568 1 1 46 LYS HZ1 H -7.827 5.725 11.170 1.00 . A A . 46 LYS HZ1 1 1 32 38569 1 1 46 LYS HZ2 H -7.918 4.555 12.262 1.00 . A A . 46 LYS HZ2 1 1 32 38570 1 1 46 LYS HZ3 H -7.906 6.124 12.788 1.00 . A A . 46 LYS HZ3 1 1 32 38571 1 1 46 LYS N N -3.278 0.973 9.996 1.00 . A A . 46 LYS N 1 1 32 38572 1 1 46 LYS NZ N -7.525 5.473 12.118 1.00 . A A . 46 LYS NZ 1 1 32 38573 1 1 46 LYS O O -6.293 1.430 9.381 1.00 . A A . 46 LYS O 1 1 32 38574 1 1 47 ASP C C -5.478 3.437 5.908 1.00 . A A . 47 ASP C 1 1 32 38575 1 1 47 ASP CA C -6.098 3.291 7.297 1.00 . A A . 47 ASP CA 1 1 32 38576 1 1 47 ASP CB C -6.921 4.542 7.687 1.00 . A A . 47 ASP CB 1 1 32 38577 1 1 47 ASP CG C -7.997 4.289 8.745 1.00 . A A . 47 ASP CG 1 1 32 38578 1 1 47 ASP H H -4.143 3.358 8.162 1.00 . A A . 47 ASP H 1 1 32 38579 1 1 47 ASP HA H -6.795 2.464 7.228 1.00 . A A . 47 ASP HA 1 1 32 38580 1 1 47 ASP HB2 H -6.258 5.355 7.971 1.00 . A A . 47 ASP HB2 1 1 32 38581 1 1 47 ASP HB3 H -7.479 4.880 6.814 1.00 . A A . 47 ASP HB3 1 1 32 38582 1 1 47 ASP N N -5.067 2.965 8.288 1.00 . A A . 47 ASP N 1 1 32 38583 1 1 47 ASP O O -6.096 3.996 5.006 1.00 . A A . 47 ASP O 1 1 32 38584 1 1 47 ASP OD1 O -8.633 3.217 8.681 1.00 . A A . 47 ASP OD1 1 1 32 38585 1 1 47 ASP OD2 O -8.153 5.164 9.631 1.00 . A A . 47 ASP OD2 1 1 32 38586 1 1 48 ALA C C -4.063 1.690 3.635 1.00 . A A . 48 ALA C 1 1 32 38587 1 1 48 ALA CA C -3.615 2.927 4.422 1.00 . A A . 48 ALA CA 1 1 32 38588 1 1 48 ALA CB C -2.094 3.048 4.633 1.00 . A A . 48 ALA CB 1 1 32 38589 1 1 48 ALA H H -3.802 2.408 6.462 1.00 . A A . 48 ALA H 1 1 32 38590 1 1 48 ALA HA H -3.923 3.805 3.852 1.00 . A A . 48 ALA HA 1 1 32 38591 1 1 48 ALA HB1 H -1.573 2.977 3.678 1.00 . A A . 48 ALA HB1 1 1 32 38592 1 1 48 ALA HB2 H -1.869 4.019 5.075 1.00 . A A . 48 ALA HB2 1 1 32 38593 1 1 48 ALA HB3 H -1.713 2.284 5.314 1.00 . A A . 48 ALA HB3 1 1 32 38594 1 1 48 ALA N N -4.266 2.906 5.715 1.00 . A A . 48 ALA N 1 1 32 38595 1 1 48 ALA O O -5.222 1.571 3.224 1.00 . A A . 48 ALA O 1 1 32 38596 1 1 49 CYS C C -4.478 -1.153 2.642 1.00 . A A . 49 CYS C 1 1 32 38597 1 1 49 CYS CA C -3.215 -0.297 2.451 1.00 . A A . 49 CYS CA 1 1 32 38598 1 1 49 CYS CB C -1.956 -1.130 2.511 1.00 . A A . 49 CYS CB 1 1 32 38599 1 1 49 CYS H H -2.300 0.834 3.999 1.00 . A A . 49 CYS H 1 1 32 38600 1 1 49 CYS HA H -3.273 0.174 1.470 1.00 . A A . 49 CYS HA 1 1 32 38601 1 1 49 CYS HB2 H -2.021 -1.711 3.418 1.00 . A A . 49 CYS HB2 1 1 32 38602 1 1 49 CYS HB3 H -1.919 -1.802 1.656 1.00 . A A . 49 CYS HB3 1 1 32 38603 1 1 49 CYS N N -3.146 0.744 3.464 1.00 . A A . 49 CYS N 1 1 32 38604 1 1 49 CYS O O -5.351 -1.213 1.770 1.00 . A A . 49 CYS O 1 1 32 38605 1 1 49 CYS SG S -0.372 -0.233 2.674 1.00 . A A . 49 CYS SG 1 1 32 38606 1 1 50 LYS C C -7.026 -1.852 4.484 1.00 . A A . 50 LYS C 1 1 32 38607 1 1 50 LYS CA C -5.735 -2.635 4.213 1.00 . A A . 50 LYS CA 1 1 32 38608 1 1 50 LYS CB C -5.317 -3.469 5.435 1.00 . A A . 50 LYS CB 1 1 32 38609 1 1 50 LYS CD C -6.055 -2.730 7.799 1.00 . A A . 50 LYS CD 1 1 32 38610 1 1 50 LYS CE C -6.317 -1.389 8.506 1.00 . A A . 50 LYS CE 1 1 32 38611 1 1 50 LYS CG C -5.027 -2.585 6.660 1.00 . A A . 50 LYS CG 1 1 32 38612 1 1 50 LYS H H -3.882 -1.622 4.504 1.00 . A A . 50 LYS H 1 1 32 38613 1 1 50 LYS HA H -5.939 -3.320 3.389 1.00 . A A . 50 LYS HA 1 1 32 38614 1 1 50 LYS HB2 H -6.087 -4.208 5.661 1.00 . A A . 50 LYS HB2 1 1 32 38615 1 1 50 LYS HB3 H -4.405 -4.015 5.187 1.00 . A A . 50 LYS HB3 1 1 32 38616 1 1 50 LYS HD2 H -6.996 -3.159 7.458 1.00 . A A . 50 LYS HD2 1 1 32 38617 1 1 50 LYS HD3 H -5.638 -3.427 8.529 1.00 . A A . 50 LYS HD3 1 1 32 38618 1 1 50 LYS HE2 H -6.777 -1.582 9.478 1.00 . A A . 50 LYS HE2 1 1 32 38619 1 1 50 LYS HE3 H -5.374 -0.883 8.677 1.00 . A A . 50 LYS HE3 1 1 32 38620 1 1 50 LYS HG2 H -4.043 -2.874 7.032 1.00 . A A . 50 LYS HG2 1 1 32 38621 1 1 50 LYS HG3 H -4.964 -1.540 6.360 1.00 . A A . 50 LYS HG3 1 1 32 38622 1 1 50 LYS HZ1 H -7.240 0.409 8.305 1.00 . A A . 50 LYS HZ1 1 1 32 38623 1 1 50 LYS HZ2 H -6.827 -0.195 6.842 1.00 . A A . 50 LYS HZ2 1 1 32 38624 1 1 50 LYS HZ3 H -8.110 -0.837 7.626 1.00 . A A . 50 LYS HZ3 1 1 32 38625 1 1 50 LYS N N -4.622 -1.760 3.829 1.00 . A A . 50 LYS N 1 1 32 38626 1 1 50 LYS NZ N -7.188 -0.454 7.759 1.00 . A A . 50 LYS NZ 1 1 32 38627 1 1 50 LYS O O -7.749 -2.109 5.448 1.00 . A A . 50 LYS O 1 1 32 38628 1 1 51 THR C C -8.907 0.450 2.464 1.00 . A A . 51 THR C 1 1 32 38629 1 1 51 THR CA C -8.428 0.054 3.848 1.00 . A A . 51 THR CA 1 1 32 38630 1 1 51 THR CB C -7.970 1.252 4.697 1.00 . A A . 51 THR CB 1 1 32 38631 1 1 51 THR CG2 C -9.103 1.738 5.602 1.00 . A A . 51 THR CG2 1 1 32 38632 1 1 51 THR H H -6.672 -0.683 2.893 1.00 . A A . 51 THR H 1 1 32 38633 1 1 51 THR HA H -9.243 -0.456 4.354 1.00 . A A . 51 THR HA 1 1 32 38634 1 1 51 THR HB H -7.678 2.089 4.059 1.00 . A A . 51 THR HB 1 1 32 38635 1 1 51 THR HG1 H -6.088 0.949 4.851 1.00 . A A . 51 THR HG1 1 1 32 38636 1 1 51 THR HG21 H -8.800 2.653 6.110 1.00 . A A . 51 THR HG21 1 1 32 38637 1 1 51 THR HG22 H -9.981 1.964 4.996 1.00 . A A . 51 THR HG22 1 1 32 38638 1 1 51 THR HG23 H -9.361 0.985 6.345 1.00 . A A . 51 THR HG23 1 1 32 38639 1 1 51 THR N N -7.320 -0.865 3.650 1.00 . A A . 51 THR N 1 1 32 38640 1 1 51 THR O O -10.037 0.146 2.079 1.00 . A A . 51 THR O 1 1 32 38641 1 1 51 THR OG1 O -6.837 0.869 5.460 1.00 . A A . 51 THR OG1 1 1 32 38642 1 1 52 CYS C C -8.561 -0.068 -0.392 1.00 . A A . 52 CYS C 1 1 32 38643 1 1 52 CYS CA C -8.185 1.256 0.276 1.00 . A A . 52 CYS CA 1 1 32 38644 1 1 52 CYS CB C -6.918 1.836 -0.290 1.00 . A A . 52 CYS CB 1 1 32 38645 1 1 52 CYS H H -7.071 1.227 2.083 1.00 . A A . 52 CYS H 1 1 32 38646 1 1 52 CYS HA H -9.005 1.967 0.156 1.00 . A A . 52 CYS HA 1 1 32 38647 1 1 52 CYS HB2 H -6.364 2.342 0.501 1.00 . A A . 52 CYS HB2 1 1 32 38648 1 1 52 CYS HB3 H -6.292 1.037 -0.678 1.00 . A A . 52 CYS HB3 1 1 32 38649 1 1 52 CYS N N -7.987 1.025 1.692 1.00 . A A . 52 CYS N 1 1 32 38650 1 1 52 CYS O O -9.600 -0.172 -1.046 1.00 . A A . 52 CYS O 1 1 32 38651 1 1 52 CYS SG S -7.278 3.120 -1.517 1.00 . A A . 52 CYS SG 1 1 32 38652 1 1 53 HIS C C -9.477 -2.877 -0.372 1.00 . A A . 53 HIS C 1 1 32 38653 1 1 53 HIS CA C -8.059 -2.425 -0.734 1.00 . A A . 53 HIS CA 1 1 32 38654 1 1 53 HIS CB C -7.034 -3.465 -0.275 1.00 . A A . 53 HIS CB 1 1 32 38655 1 1 53 HIS CD2 C -5.204 -2.342 -1.710 1.00 . A A . 53 HIS CD2 1 1 32 38656 1 1 53 HIS CE1 C -3.649 -3.865 -1.540 1.00 . A A . 53 HIS CE1 1 1 32 38657 1 1 53 HIS CG C -5.670 -3.342 -0.898 1.00 . A A . 53 HIS CG 1 1 32 38658 1 1 53 HIS H H -6.906 -1.000 0.370 1.00 . A A . 53 HIS H 1 1 32 38659 1 1 53 HIS HA H -8.013 -2.353 -1.823 1.00 . A A . 53 HIS HA 1 1 32 38660 1 1 53 HIS HB2 H -6.929 -3.431 0.808 1.00 . A A . 53 HIS HB2 1 1 32 38661 1 1 53 HIS HB3 H -7.420 -4.445 -0.560 1.00 . A A . 53 HIS HB3 1 1 32 38662 1 1 53 HIS HD1 H -4.735 -5.211 -0.392 1.00 . A A . 53 HIS HD1 1 1 32 38663 1 1 53 HIS HD2 H -5.706 -1.455 -2.045 1.00 . A A . 53 HIS HD2 1 1 32 38664 1 1 53 HIS HE1 H -2.736 -4.418 -1.681 1.00 . A A . 53 HIS HE1 1 1 32 38665 1 1 53 HIS N N -7.761 -1.117 -0.168 1.00 . A A . 53 HIS N 1 1 32 38666 1 1 53 HIS ND1 N -4.689 -4.297 -0.812 1.00 . A A . 53 HIS ND1 1 1 32 38667 1 1 53 HIS NE2 N -3.919 -2.684 -2.117 1.00 . A A . 53 HIS NE2 1 1 32 38668 1 1 53 HIS O O -10.203 -3.339 -1.245 1.00 . A A . 53 HIS O 1 1 32 38669 1 1 54 LYS C C -12.324 -2.597 0.501 1.00 . A A . 54 LYS C 1 1 32 38670 1 1 54 LYS CA C -11.196 -3.198 1.338 1.00 . A A . 54 LYS CA 1 1 32 38671 1 1 54 LYS CB C -11.446 -2.913 2.823 1.00 . A A . 54 LYS CB 1 1 32 38672 1 1 54 LYS CD C -10.772 -3.686 5.179 1.00 . A A . 54 LYS CD 1 1 32 38673 1 1 54 LYS CE C -11.346 -2.439 5.874 1.00 . A A . 54 LYS CE 1 1 32 38674 1 1 54 LYS CG C -10.348 -3.492 3.715 1.00 . A A . 54 LYS CG 1 1 32 38675 1 1 54 LYS H H -9.286 -2.246 1.547 1.00 . A A . 54 LYS H 1 1 32 38676 1 1 54 LYS HA H -11.223 -4.280 1.213 1.00 . A A . 54 LYS HA 1 1 32 38677 1 1 54 LYS HB2 H -11.523 -1.836 2.979 1.00 . A A . 54 LYS HB2 1 1 32 38678 1 1 54 LYS HB3 H -12.395 -3.389 3.073 1.00 . A A . 54 LYS HB3 1 1 32 38679 1 1 54 LYS HD2 H -11.474 -4.519 5.250 1.00 . A A . 54 LYS HD2 1 1 32 38680 1 1 54 LYS HD3 H -9.866 -3.977 5.715 1.00 . A A . 54 LYS HD3 1 1 32 38681 1 1 54 LYS HE2 H -11.289 -2.595 6.954 1.00 . A A . 54 LYS HE2 1 1 32 38682 1 1 54 LYS HE3 H -10.738 -1.568 5.629 1.00 . A A . 54 LYS HE3 1 1 32 38683 1 1 54 LYS HG2 H -10.051 -4.468 3.323 1.00 . A A . 54 LYS HG2 1 1 32 38684 1 1 54 LYS HG3 H -9.481 -2.839 3.667 1.00 . A A . 54 LYS HG3 1 1 32 38685 1 1 54 LYS HZ1 H -12.859 -2.000 4.542 1.00 . A A . 54 LYS HZ1 1 1 32 38686 1 1 54 LYS HZ2 H -13.336 -2.966 5.783 1.00 . A A . 54 LYS HZ2 1 1 32 38687 1 1 54 LYS HZ3 H -13.092 -1.362 6.033 1.00 . A A . 54 LYS HZ3 1 1 32 38688 1 1 54 LYS N N -9.883 -2.731 0.897 1.00 . A A . 54 LYS N 1 1 32 38689 1 1 54 LYS NZ N -12.760 -2.175 5.531 1.00 . A A . 54 LYS NZ 1 1 32 38690 1 1 54 LYS O O -13.303 -3.280 0.214 1.00 . A A . 54 LYS O 1 1 32 38691 1 1 55 SER C C -13.272 -1.265 -2.106 1.00 . A A . 55 SER C 1 1 32 38692 1 1 55 SER CA C -13.234 -0.680 -0.690 1.00 . A A . 55 SER CA 1 1 32 38693 1 1 55 SER CB C -13.066 0.845 -0.696 1.00 . A A . 55 SER CB 1 1 32 38694 1 1 55 SER H H -11.371 -0.799 0.375 1.00 . A A . 55 SER H 1 1 32 38695 1 1 55 SER HA H -14.204 -0.884 -0.232 1.00 . A A . 55 SER HA 1 1 32 38696 1 1 55 SER HB2 H -13.921 1.284 -1.212 1.00 . A A . 55 SER HB2 1 1 32 38697 1 1 55 SER HB3 H -13.051 1.216 0.329 1.00 . A A . 55 SER HB3 1 1 32 38698 1 1 55 SER HG H -11.135 0.735 -1.073 1.00 . A A . 55 SER HG 1 1 32 38699 1 1 55 SER N N -12.208 -1.316 0.130 1.00 . A A . 55 SER N 1 1 32 38700 1 1 55 SER O O -14.301 -1.185 -2.771 1.00 . A A . 55 SER O 1 1 32 38701 1 1 55 SER OG O -11.892 1.259 -1.363 1.00 . A A . 55 SER OG 1 1 32 38702 1 1 56 ASN C C -12.568 -3.896 -3.836 1.00 . A A . 56 ASN C 1 1 32 38703 1 1 56 ASN CA C -12.056 -2.457 -3.884 1.00 . A A . 56 ASN CA 1 1 32 38704 1 1 56 ASN CB C -10.613 -2.384 -4.402 1.00 . A A . 56 ASN CB 1 1 32 38705 1 1 56 ASN CG C -10.218 -0.960 -4.786 1.00 . A A . 56 ASN CG 1 1 32 38706 1 1 56 ASN H H -11.374 -1.968 -1.937 1.00 . A A . 56 ASN H 1 1 32 38707 1 1 56 ASN HA H -12.683 -1.908 -4.590 1.00 . A A . 56 ASN HA 1 1 32 38708 1 1 56 ASN HB2 H -9.910 -2.782 -3.673 1.00 . A A . 56 ASN HB2 1 1 32 38709 1 1 56 ASN HB3 H -10.544 -2.998 -5.301 1.00 . A A . 56 ASN HB3 1 1 32 38710 1 1 56 ASN HD21 H -9.843 -0.388 -2.841 1.00 . A A . 56 ASN HD21 1 1 32 38711 1 1 56 ASN HD22 H -9.627 0.829 -4.073 1.00 . A A . 56 ASN HD22 1 1 32 38712 1 1 56 ASN N N -12.160 -1.851 -2.565 1.00 . A A . 56 ASN N 1 1 32 38713 1 1 56 ASN ND2 N -9.833 -0.125 -3.824 1.00 . A A . 56 ASN ND2 1 1 32 38714 1 1 56 ASN O O -13.393 -4.280 -4.661 1.00 . A A . 56 ASN O 1 1 32 38715 1 1 56 ASN OD1 O -10.245 -0.604 -5.958 1.00 . A A . 56 ASN OD1 1 1 32 38716 1 1 57 ASN C C -12.212 -6.508 -1.252 1.00 . A A . 57 ASN C 1 1 32 38717 1 1 57 ASN CA C -12.570 -6.062 -2.670 1.00 . A A . 57 ASN CA 1 1 32 38718 1 1 57 ASN CB C -11.970 -7.014 -3.719 1.00 . A A . 57 ASN CB 1 1 32 38719 1 1 57 ASN CG C -12.619 -8.398 -3.701 1.00 . A A . 57 ASN CG 1 1 32 38720 1 1 57 ASN H H -11.426 -4.340 -2.198 1.00 . A A . 57 ASN H 1 1 32 38721 1 1 57 ASN HA H -13.658 -6.053 -2.768 1.00 . A A . 57 ASN HA 1 1 32 38722 1 1 57 ASN HB2 H -12.114 -6.599 -4.717 1.00 . A A . 57 ASN HB2 1 1 32 38723 1 1 57 ASN HB3 H -10.900 -7.115 -3.534 1.00 . A A . 57 ASN HB3 1 1 32 38724 1 1 57 ASN HD21 H -11.166 -9.176 -4.899 1.00 . A A . 57 ASN HD21 1 1 32 38725 1 1 57 ASN HD22 H -12.429 -10.282 -4.389 1.00 . A A . 57 ASN HD22 1 1 32 38726 1 1 57 ASN N N -12.090 -4.700 -2.880 1.00 . A A . 57 ASN N 1 1 32 38727 1 1 57 ASN ND2 N -12.017 -9.362 -4.390 1.00 . A A . 57 ASN ND2 1 1 32 38728 1 1 57 ASN O O -11.293 -5.964 -0.642 1.00 . A A . 57 ASN O 1 1 32 38729 1 1 57 ASN OD1 O -13.659 -8.608 -3.084 1.00 . A A . 57 ASN OD1 1 1 32 38730 1 1 58 GLY C C -11.354 -8.741 0.715 1.00 . A A . 58 GLY C 1 1 32 38731 1 1 58 GLY CA C -12.694 -7.997 0.625 1.00 . A A . 58 GLY CA 1 1 32 38732 1 1 58 GLY H H -13.611 -7.964 -1.304 1.00 . A A . 58 GLY H 1 1 32 38733 1 1 58 GLY HA2 H -12.720 -7.151 1.311 1.00 . A A . 58 GLY HA2 1 1 32 38734 1 1 58 GLY HA3 H -13.496 -8.688 0.889 1.00 . A A . 58 GLY HA3 1 1 32 38735 1 1 58 GLY N N -12.937 -7.488 -0.713 1.00 . A A . 58 GLY N 1 1 32 38736 1 1 58 GLY O O -10.845 -9.220 -0.298 1.00 . A A . 58 GLY O 1 1 32 38737 1 1 59 PRO C C -10.045 -11.188 2.119 1.00 . A A . 59 PRO C 1 1 32 38738 1 1 59 PRO CA C -9.637 -9.714 2.206 1.00 . A A . 59 PRO CA 1 1 32 38739 1 1 59 PRO CB C -9.174 -9.297 3.607 1.00 . A A . 59 PRO CB 1 1 32 38740 1 1 59 PRO CD C -11.270 -8.236 3.148 1.00 . A A . 59 PRO CD 1 1 32 38741 1 1 59 PRO CG C -10.472 -8.866 4.289 1.00 . A A . 59 PRO CG 1 1 32 38742 1 1 59 PRO HA H -8.818 -9.572 1.499 1.00 . A A . 59 PRO HA 1 1 32 38743 1 1 59 PRO HB2 H -8.663 -10.085 4.159 1.00 . A A . 59 PRO HB2 1 1 32 38744 1 1 59 PRO HB3 H -8.518 -8.430 3.514 1.00 . A A . 59 PRO HB3 1 1 32 38745 1 1 59 PRO HD2 H -12.336 -8.409 3.303 1.00 . A A . 59 PRO HD2 1 1 32 38746 1 1 59 PRO HD3 H -11.066 -7.164 3.105 1.00 . A A . 59 PRO HD3 1 1 32 38747 1 1 59 PRO HG2 H -10.998 -9.749 4.656 1.00 . A A . 59 PRO HG2 1 1 32 38748 1 1 59 PRO HG3 H -10.296 -8.166 5.107 1.00 . A A . 59 PRO HG3 1 1 32 38749 1 1 59 PRO N N -10.784 -8.858 1.927 1.00 . A A . 59 PRO N 1 1 32 38750 1 1 59 PRO O O -11.145 -11.522 1.681 1.00 . A A . 59 PRO O 1 1 32 38751 1 1 60 THR C C -8.476 -14.319 3.248 1.00 . A A . 60 THR C 1 1 32 38752 1 1 60 THR CA C -9.310 -13.514 2.248 1.00 . A A . 60 THR CA 1 1 32 38753 1 1 60 THR CB C -9.054 -13.778 0.749 1.00 . A A . 60 THR CB 1 1 32 38754 1 1 60 THR CG2 C -8.484 -15.153 0.405 1.00 . A A . 60 THR CG2 1 1 32 38755 1 1 60 THR H H -8.246 -11.790 2.852 1.00 . A A . 60 THR H 1 1 32 38756 1 1 60 THR HA H -10.346 -13.786 2.463 1.00 . A A . 60 THR HA 1 1 32 38757 1 1 60 THR HB H -8.350 -13.037 0.363 1.00 . A A . 60 THR HB 1 1 32 38758 1 1 60 THR HG1 H -10.737 -12.844 0.431 1.00 . A A . 60 THR HG1 1 1 32 38759 1 1 60 THR HG21 H -8.546 -15.305 -0.673 1.00 . A A . 60 THR HG21 1 1 32 38760 1 1 60 THR HG22 H -7.434 -15.184 0.690 1.00 . A A . 60 THR HG22 1 1 32 38761 1 1 60 THR HG23 H -9.045 -15.940 0.909 1.00 . A A . 60 THR HG23 1 1 32 38762 1 1 60 THR N N -9.135 -12.093 2.490 1.00 . A A . 60 THR N 1 1 32 38763 1 1 60 THR O O -9.036 -15.151 3.955 1.00 . A A . 60 THR O 1 1 32 38764 1 1 60 THR OG1 O -10.274 -13.609 0.060 1.00 . A A . 60 THR OG1 1 1 32 38765 1 1 61 LYS C C -4.938 -13.995 4.429 1.00 . A A . 61 LYS C 1 1 32 38766 1 1 61 LYS CA C -6.334 -14.622 4.431 1.00 . A A . 61 LYS CA 1 1 32 38767 1 1 61 LYS CB C -6.307 -16.170 4.419 1.00 . A A . 61 LYS CB 1 1 32 38768 1 1 61 LYS CD C -4.783 -16.711 2.430 1.00 . A A . 61 LYS CD 1 1 32 38769 1 1 61 LYS CE C -4.550 -17.670 1.256 1.00 . A A . 61 LYS CE 1 1 32 38770 1 1 61 LYS CG C -6.176 -16.868 3.055 1.00 . A A . 61 LYS CG 1 1 32 38771 1 1 61 LYS H H -6.763 -13.340 2.763 1.00 . A A . 61 LYS H 1 1 32 38772 1 1 61 LYS HA H -6.784 -14.339 5.385 1.00 . A A . 61 LYS HA 1 1 32 38773 1 1 61 LYS HB2 H -5.511 -16.518 5.079 1.00 . A A . 61 LYS HB2 1 1 32 38774 1 1 61 LYS HB3 H -7.237 -16.526 4.863 1.00 . A A . 61 LYS HB3 1 1 32 38775 1 1 61 LYS HD2 H -4.664 -15.682 2.085 1.00 . A A . 61 LYS HD2 1 1 32 38776 1 1 61 LYS HD3 H -4.040 -16.921 3.204 1.00 . A A . 61 LYS HD3 1 1 32 38777 1 1 61 LYS HE2 H -4.703 -18.697 1.595 1.00 . A A . 61 LYS HE2 1 1 32 38778 1 1 61 LYS HE3 H -5.269 -17.452 0.464 1.00 . A A . 61 LYS HE3 1 1 32 38779 1 1 61 LYS HG2 H -6.368 -17.928 3.224 1.00 . A A . 61 LYS HG2 1 1 32 38780 1 1 61 LYS HG3 H -6.946 -16.495 2.383 1.00 . A A . 61 LYS HG3 1 1 32 38781 1 1 61 LYS HZ1 H -3.038 -18.187 -0.039 1.00 . A A . 61 LYS HZ1 1 1 32 38782 1 1 61 LYS HZ2 H -3.017 -16.599 0.391 1.00 . A A . 61 LYS HZ2 1 1 32 38783 1 1 61 LYS HZ3 H -2.502 -17.743 1.451 1.00 . A A . 61 LYS HZ3 1 1 32 38784 1 1 61 LYS N N -7.168 -14.048 3.365 1.00 . A A . 61 LYS N 1 1 32 38785 1 1 61 LYS NZ N -3.177 -17.540 0.725 1.00 . A A . 61 LYS NZ 1 1 32 38786 1 1 61 LYS O O -3.940 -14.668 4.187 1.00 . A A . 61 LYS O 1 1 32 38787 1 1 62 CYS C C -3.248 -12.057 3.012 1.00 . A A . 62 CYS C 1 1 32 38788 1 1 62 CYS CA C -3.667 -11.898 4.478 1.00 . A A . 62 CYS CA 1 1 32 38789 1 1 62 CYS CB C -2.586 -12.265 5.478 1.00 . A A . 62 CYS CB 1 1 32 38790 1 1 62 CYS H H -5.715 -12.189 4.907 1.00 . A A . 62 CYS H 1 1 32 38791 1 1 62 CYS HA H -3.937 -10.855 4.615 1.00 . A A . 62 CYS HA 1 1 32 38792 1 1 62 CYS HB2 H -2.156 -13.234 5.226 1.00 . A A . 62 CYS HB2 1 1 32 38793 1 1 62 CYS HB3 H -1.789 -11.521 5.452 1.00 . A A . 62 CYS HB3 1 1 32 38794 1 1 62 CYS N N -4.871 -12.687 4.687 1.00 . A A . 62 CYS N 1 1 32 38795 1 1 62 CYS O O -4.114 -12.212 2.152 1.00 . A A . 62 CYS O 1 1 32 38796 1 1 62 CYS SG S -3.233 -12.378 7.171 1.00 . A A . 62 CYS SG 1 1 32 38797 1 1 63 GLY C C -1.989 -11.468 0.325 1.00 . A A . 63 GLY C 1 1 32 38798 1 1 63 GLY CA C -1.397 -12.350 1.420 1.00 . A A . 63 GLY CA 1 1 32 38799 1 1 63 GLY H H -1.295 -11.912 3.491 1.00 . A A . 63 GLY H 1 1 32 38800 1 1 63 GLY HA2 H -0.318 -12.206 1.438 1.00 . A A . 63 GLY HA2 1 1 32 38801 1 1 63 GLY HA3 H -1.604 -13.397 1.196 1.00 . A A . 63 GLY HA3 1 1 32 38802 1 1 63 GLY N N -1.944 -12.026 2.729 1.00 . A A . 63 GLY N 1 1 32 38803 1 1 63 GLY O O -2.475 -11.975 -0.682 1.00 . A A . 63 GLY O 1 1 32 38804 1 1 64 GLY C C -1.563 -7.905 -0.458 1.00 . A A . 64 GLY C 1 1 32 38805 1 1 64 GLY CA C -2.451 -9.152 -0.392 1.00 . A A . 64 GLY CA 1 1 32 38806 1 1 64 GLY H H -1.568 -9.832 1.423 1.00 . A A . 64 GLY H 1 1 32 38807 1 1 64 GLY HA2 H -2.560 -9.572 -1.390 1.00 . A A . 64 GLY HA2 1 1 32 38808 1 1 64 GLY HA3 H -3.437 -8.848 -0.035 1.00 . A A . 64 GLY HA3 1 1 32 38809 1 1 64 GLY N N -1.944 -10.149 0.545 1.00 . A A . 64 GLY N 1 1 32 38810 1 1 64 GLY O O -2.060 -6.840 -0.818 1.00 . A A . 64 GLY O 1 1 32 38811 1 1 65 CYS C C 2.026 -7.780 0.529 1.00 . A A . 65 CYS C 1 1 32 38812 1 1 65 CYS CA C 0.735 -7.031 0.196 1.00 . A A . 65 CYS CA 1 1 32 38813 1 1 65 CYS CB C 0.402 -6.155 1.378 1.00 . A A . 65 CYS CB 1 1 32 38814 1 1 65 CYS H H -0.006 -8.993 0.152 1.00 . A A . 65 CYS H 1 1 32 38815 1 1 65 CYS HA H 0.877 -6.429 -0.701 1.00 . A A . 65 CYS HA 1 1 32 38816 1 1 65 CYS HB2 H 0.076 -6.814 2.177 1.00 . A A . 65 CYS HB2 1 1 32 38817 1 1 65 CYS HB3 H 1.291 -5.617 1.710 1.00 . A A . 65 CYS HB3 1 1 32 38818 1 1 65 CYS N N -0.300 -8.047 -0.016 1.00 . A A . 65 CYS N 1 1 32 38819 1 1 65 CYS O O 3.049 -7.644 -0.144 1.00 . A A . 65 CYS O 1 1 32 38820 1 1 65 CYS SG S -0.865 -4.929 0.973 1.00 . A A . 65 CYS SG 1 1 32 38821 1 1 66 HIS C C 3.162 -10.598 1.121 1.00 . A A . 66 HIS C 1 1 32 38822 1 1 66 HIS CA C 3.014 -9.429 2.081 1.00 . A A . 66 HIS CA 1 1 32 38823 1 1 66 HIS CB C 2.690 -9.986 3.476 1.00 . A A . 66 HIS CB 1 1 32 38824 1 1 66 HIS CD2 C 1.453 -8.588 5.226 1.00 . A A . 66 HIS CD2 1 1 32 38825 1 1 66 HIS CE1 C 3.086 -7.329 5.939 1.00 . A A . 66 HIS CE1 1 1 32 38826 1 1 66 HIS CG C 2.586 -8.940 4.547 1.00 . A A . 66 HIS CG 1 1 32 38827 1 1 66 HIS H H 1.081 -8.590 2.120 1.00 . A A . 66 HIS H 1 1 32 38828 1 1 66 HIS HA H 3.929 -8.851 2.152 1.00 . A A . 66 HIS HA 1 1 32 38829 1 1 66 HIS HB2 H 1.766 -10.567 3.423 1.00 . A A . 66 HIS HB2 1 1 32 38830 1 1 66 HIS HB3 H 3.476 -10.687 3.757 1.00 . A A . 66 HIS HB3 1 1 32 38831 1 1 66 HIS HD1 H 4.584 -8.149 4.746 1.00 . A A . 66 HIS HD1 1 1 32 38832 1 1 66 HIS HD2 H 0.457 -8.975 5.122 1.00 . A A . 66 HIS HD2 1 1 32 38833 1 1 66 HIS HE1 H 3.641 -6.587 6.485 1.00 . A A . 66 HIS HE1 1 1 32 38834 1 1 66 HIS N N 1.949 -8.568 1.611 1.00 . A A . 66 HIS N 1 1 32 38835 1 1 66 HIS ND1 N 3.613 -8.152 5.015 1.00 . A A . 66 HIS ND1 1 1 32 38836 1 1 66 HIS NE2 N 1.774 -7.559 6.101 1.00 . A A . 66 HIS NE2 1 1 32 38837 1 1 66 HIS O O 2.195 -11.328 0.913 1.00 . A A . 66 HIS O 1 1 32 38838 1 1 67 ILE C C 4.889 -13.129 1.213 1.00 . A A . 67 ILE C 1 1 32 38839 1 1 67 ILE CA C 4.680 -12.154 0.047 1.00 . A A . 67 ILE CA 1 1 32 38840 1 1 67 ILE CB C 5.889 -12.043 -0.903 1.00 . A A . 67 ILE CB 1 1 32 38841 1 1 67 ILE CD1 C 4.416 -10.994 -2.752 1.00 . A A . 67 ILE CD1 1 1 32 38842 1 1 67 ILE CG1 C 5.713 -10.912 -1.934 1.00 . A A . 67 ILE CG1 1 1 32 38843 1 1 67 ILE CG2 C 6.145 -13.374 -1.626 1.00 . A A . 67 ILE CG2 1 1 32 38844 1 1 67 ILE H H 5.108 -10.162 0.748 1.00 . A A . 67 ILE H 1 1 32 38845 1 1 67 ILE HA H 3.833 -12.517 -0.537 1.00 . A A . 67 ILE HA 1 1 32 38846 1 1 67 ILE HB H 6.779 -11.804 -0.320 1.00 . A A . 67 ILE HB 1 1 32 38847 1 1 67 ILE HD11 H 4.335 -11.954 -3.258 1.00 . A A . 67 ILE HD11 1 1 32 38848 1 1 67 ILE HD12 H 3.547 -10.844 -2.112 1.00 . A A . 67 ILE HD12 1 1 32 38849 1 1 67 ILE HD13 H 4.420 -10.209 -3.509 1.00 . A A . 67 ILE HD13 1 1 32 38850 1 1 67 ILE HG12 H 5.737 -9.953 -1.417 1.00 . A A . 67 ILE HG12 1 1 32 38851 1 1 67 ILE HG13 H 6.557 -10.931 -2.625 1.00 . A A . 67 ILE HG13 1 1 32 38852 1 1 67 ILE HG21 H 6.438 -14.145 -0.915 1.00 . A A . 67 ILE HG21 1 1 32 38853 1 1 67 ILE HG22 H 5.248 -13.707 -2.149 1.00 . A A . 67 ILE HG22 1 1 32 38854 1 1 67 ILE HG23 H 6.952 -13.250 -2.348 1.00 . A A . 67 ILE HG23 1 1 32 38855 1 1 67 ILE N N 4.371 -10.850 0.625 1.00 . A A . 67 ILE N 1 1 32 38856 1 1 67 ILE O O 6.026 -13.454 1.546 1.00 . A A . 67 ILE O 1 1 32 38857 1 1 68 LYS C C 2.266 -13.937 3.637 1.00 . A A . 68 LYS C 1 1 32 38858 1 1 68 LYS CA C 3.668 -14.294 3.108 1.00 . A A . 68 LYS CA 1 1 32 38859 1 1 68 LYS CB C 4.766 -13.929 4.126 1.00 . A A . 68 LYS CB 1 1 32 38860 1 1 68 LYS CD C 7.038 -14.084 4.985 1.00 . A A . 68 LYS CD 1 1 32 38861 1 1 68 LYS CE C 8.053 -14.896 5.795 1.00 . A A . 68 LYS CE 1 1 32 38862 1 1 68 LYS CG C 5.986 -14.867 4.191 1.00 . A A . 68 LYS CG 1 1 32 38863 1 1 68 LYS H H 2.880 -13.162 1.570 1.00 . A A . 68 LYS H 1 1 32 38864 1 1 68 LYS HA H 3.694 -15.363 2.893 1.00 . A A . 68 LYS HA 1 1 32 38865 1 1 68 LYS HB2 H 5.078 -12.899 3.946 1.00 . A A . 68 LYS HB2 1 1 32 38866 1 1 68 LYS HB3 H 4.361 -13.970 5.133 1.00 . A A . 68 LYS HB3 1 1 32 38867 1 1 68 LYS HD2 H 7.548 -13.406 4.298 1.00 . A A . 68 LYS HD2 1 1 32 38868 1 1 68 LYS HD3 H 6.473 -13.494 5.698 1.00 . A A . 68 LYS HD3 1 1 32 38869 1 1 68 LYS HE2 H 7.523 -15.660 6.367 1.00 . A A . 68 LYS HE2 1 1 32 38870 1 1 68 LYS HE3 H 8.758 -15.388 5.122 1.00 . A A . 68 LYS HE3 1 1 32 38871 1 1 68 LYS HG2 H 5.698 -15.786 4.705 1.00 . A A . 68 LYS HG2 1 1 32 38872 1 1 68 LYS HG3 H 6.367 -15.126 3.203 1.00 . A A . 68 LYS HG3 1 1 32 38873 1 1 68 LYS HZ1 H 8.112 -13.456 7.278 1.00 . A A . 68 LYS HZ1 1 1 32 38874 1 1 68 LYS HZ2 H 9.334 -14.562 7.390 1.00 . A A . 68 LYS HZ2 1 1 32 38875 1 1 68 LYS HZ3 H 9.381 -13.379 6.252 1.00 . A A . 68 LYS HZ3 1 1 32 38876 1 1 68 LYS N N 3.789 -13.524 1.871 1.00 . A A . 68 LYS N 1 1 32 38877 1 1 68 LYS NZ N 8.777 -14.019 6.746 1.00 . A A . 68 LYS NZ 1 1 32 38878 1 1 68 LYS O O 1.415 -13.628 2.778 1.00 . A A . 68 LYS O 1 1 32 38879 1 1 68 LYS OXT O 2.067 -13.914 4.874 1.00 . A A . 68 LYS OXT 1 1 32 38880 2 2 1 HEC C1A C 7.551 8.103 -3.151 1.00 . B A . 69 HEC C1A 1 1 32 38881 2 2 1 HEC C1B C 5.328 8.855 -6.738 1.00 . B A . 69 HEC C1B 1 1 32 38882 2 2 1 HEC C1C C 2.340 6.087 -5.491 1.00 . B A . 69 HEC C1C 1 1 32 38883 2 2 1 HEC C1D C 4.503 5.467 -1.867 1.00 . B A . 69 HEC C1D 1 1 32 38884 2 2 1 HEC C2A C 8.636 9.010 -3.455 1.00 . B A . 69 HEC C2A 1 1 32 38885 2 2 1 HEC C2B C 4.715 9.214 -7.997 1.00 . B A . 69 HEC C2B 1 1 32 38886 2 2 1 HEC C2C C 1.143 5.375 -5.106 1.00 . B A . 69 HEC C2C 1 1 32 38887 2 2 1 HEC C2D C 5.144 5.035 -0.656 1.00 . B A . 69 HEC C2D 1 1 32 38888 2 2 1 HEC C3A C 8.287 9.669 -4.607 1.00 . B A . 69 HEC C3A 1 1 32 38889 2 2 1 HEC C3B C 3.586 8.439 -8.138 1.00 . B A . 69 HEC C3B 1 1 32 38890 2 2 1 HEC C3C C 1.337 4.934 -3.813 1.00 . B A . 69 HEC C3C 1 1 32 38891 2 2 1 HEC C3D C 6.345 5.683 -0.567 1.00 . B A . 69 HEC C3D 1 1 32 38892 2 2 1 HEC C4A C 7.045 9.096 -5.064 1.00 . B A . 69 HEC C4A 1 1 32 38893 2 2 1 HEC C4B C 3.565 7.522 -7.014 1.00 . B A . 69 HEC C4B 1 1 32 38894 2 2 1 HEC C4C C 2.671 5.346 -3.422 1.00 . B A . 69 HEC C4C 1 1 32 38895 2 2 1 HEC C4D C 6.455 6.496 -1.760 1.00 . B A . 69 HEC C4D 1 1 32 38896 2 2 1 HEC CAA C 9.934 9.180 -2.695 1.00 . B A . 69 HEC CAA 1 1 32 38897 2 2 1 HEC CAB C 2.378 8.795 -8.991 1.00 . B A . 69 HEC CAB 1 1 32 38898 2 2 1 HEC CAC C 0.292 4.327 -2.890 1.00 . B A . 69 HEC CAC 1 1 32 38899 2 2 1 HEC CAD C 7.224 5.573 0.659 1.00 . B A . 69 HEC CAD 1 1 32 38900 2 2 1 HEC CBA C 9.983 10.447 -1.837 1.00 . B A . 69 HEC CBA 1 1 32 38901 2 2 1 HEC CBB C 2.661 9.160 -10.454 1.00 . B A . 69 HEC CBB 1 1 32 38902 2 2 1 HEC CBC C -0.196 2.932 -3.296 1.00 . B A . 69 HEC CBC 1 1 32 38903 2 2 1 HEC CBD C 8.507 6.372 0.845 1.00 . B A . 69 HEC CBD 1 1 32 38904 2 2 1 HEC CGA C 11.265 10.544 -1.002 1.00 . B A . 69 HEC CGA 1 1 32 38905 2 2 1 HEC CGD C 8.929 6.260 2.295 1.00 . B A . 69 HEC CGD 1 1 32 38906 2 2 1 HEC CHA C 7.498 7.324 -2.022 1.00 . B A . 69 HEC CHA 1 1 32 38907 2 2 1 HEC CHB C 6.432 9.498 -6.218 1.00 . B A . 69 HEC CHB 1 1 32 38908 2 2 1 HEC CHC C 2.491 6.697 -6.718 1.00 . B A . 69 HEC CHC 1 1 32 38909 2 2 1 HEC CHD C 3.256 5.043 -2.202 1.00 . B A . 69 HEC CHD 1 1 32 38910 2 2 1 HEC CMA C 9.082 10.749 -5.305 1.00 . B A . 69 HEC CMA 1 1 32 38911 2 2 1 HEC CMB C 5.167 10.302 -8.947 1.00 . B A . 69 HEC CMB 1 1 32 38912 2 2 1 HEC CMC C -0.129 5.311 -5.933 1.00 . B A . 69 HEC CMC 1 1 32 38913 2 2 1 HEC CMD C 4.587 4.051 0.341 1.00 . B A . 69 HEC CMD 1 1 32 38914 2 2 1 HEC FE FE 4.952 7.072 -4.381 1.00 . B A . 69 HEC FE 1 1 32 38915 2 2 1 HEC HAA1 H 10.105 8.322 -2.047 1.00 . B A . 69 HEC HAA1 1 1 32 38916 2 2 1 HEC HAA2 H 10.767 9.213 -3.396 1.00 . B A . 69 HEC HAA2 1 1 32 38917 2 2 1 HEC HAB H 1.709 7.943 -9.036 1.00 . B A . 69 HEC HAB 1 1 32 38918 2 2 1 HEC HAC H 0.697 4.238 -1.886 1.00 . B A . 69 HEC HAC 1 1 32 38919 2 2 1 HEC HAD1 H 6.572 5.850 1.479 1.00 . B A . 69 HEC HAD1 1 1 32 38920 2 2 1 HEC HAD2 H 7.529 4.544 0.784 1.00 . B A . 69 HEC HAD2 1 1 32 38921 2 2 1 HEC HBA1 H 9.889 11.324 -2.479 1.00 . B A . 69 HEC HBA1 1 1 32 38922 2 2 1 HEC HBA2 H 9.128 10.425 -1.165 1.00 . B A . 69 HEC HBA2 1 1 32 38923 2 2 1 HEC HBB1 H 1.741 9.082 -11.034 1.00 . B A . 69 HEC HBB1 1 1 32 38924 2 2 1 HEC HBB2 H 3.022 10.184 -10.543 1.00 . B A . 69 HEC HBB2 1 1 32 38925 2 2 1 HEC HBB3 H 3.389 8.468 -10.879 1.00 . B A . 69 HEC HBB3 1 1 32 38926 2 2 1 HEC HBC1 H -0.743 2.972 -4.232 1.00 . B A . 69 HEC HBC1 1 1 32 38927 2 2 1 HEC HBC2 H 0.647 2.249 -3.404 1.00 . B A . 69 HEC HBC2 1 1 32 38928 2 2 1 HEC HBC3 H -0.870 2.543 -2.533 1.00 . B A . 69 HEC HBC3 1 1 32 38929 2 2 1 HEC HBD1 H 9.295 6.038 0.167 1.00 . B A . 69 HEC HBD1 1 1 32 38930 2 2 1 HEC HBD2 H 8.301 7.429 0.721 1.00 . B A . 69 HEC HBD2 1 1 32 38931 2 2 1 HEC HHA H 8.249 7.390 -1.268 1.00 . B A . 69 HEC HHA 1 1 32 38932 2 2 1 HEC HHB H 6.840 10.356 -6.706 1.00 . B A . 69 HEC HHB 1 1 32 38933 2 2 1 HEC HHC H 1.686 6.602 -7.418 1.00 . B A . 69 HEC HHC 1 1 32 38934 2 2 1 HEC HHD H 2.764 4.458 -1.445 1.00 . B A . 69 HEC HHD 1 1 32 38935 2 2 1 HEC HMA1 H 8.511 11.676 -5.310 1.00 . B A . 69 HEC HMA1 1 1 32 38936 2 2 1 HEC HMA2 H 10.027 10.927 -4.794 1.00 . B A . 69 HEC HMA2 1 1 32 38937 2 2 1 HEC HMA3 H 9.291 10.442 -6.329 1.00 . B A . 69 HEC HMA3 1 1 32 38938 2 2 1 HEC HMB1 H 5.220 9.897 -9.956 1.00 . B A . 69 HEC HMB1 1 1 32 38939 2 2 1 HEC HMB2 H 4.446 11.120 -8.911 1.00 . B A . 69 HEC HMB2 1 1 32 38940 2 2 1 HEC HMB3 H 6.151 10.689 -8.700 1.00 . B A . 69 HEC HMB3 1 1 32 38941 2 2 1 HEC HMC1 H -0.479 6.327 -6.115 1.00 . B A . 69 HEC HMC1 1 1 32 38942 2 2 1 HEC HMC2 H 0.071 4.826 -6.887 1.00 . B A . 69 HEC HMC2 1 1 32 38943 2 2 1 HEC HMC3 H -0.932 4.778 -5.428 1.00 . B A . 69 HEC HMC3 1 1 32 38944 2 2 1 HEC HMD1 H 4.346 3.116 -0.167 1.00 . B A . 69 HEC HMD1 1 1 32 38945 2 2 1 HEC HMD2 H 5.297 3.840 1.138 1.00 . B A . 69 HEC HMD2 1 1 32 38946 2 2 1 HEC HMD3 H 3.686 4.478 0.771 1.00 . B A . 69 HEC HMD3 1 1 32 38947 2 2 1 HEC NA N 6.652 8.154 -4.181 1.00 . B A . 69 HEC NA 1 1 32 38948 2 2 1 HEC NB N 4.623 7.826 -6.201 1.00 . B A . 69 HEC NB 1 1 32 38949 2 2 1 HEC NC N 3.207 6.072 -4.447 1.00 . B A . 69 HEC NC 1 1 32 38950 2 2 1 HEC ND N 5.337 6.303 -2.519 1.00 . B A . 69 HEC ND 1 1 32 38951 2 2 1 HEC O1A O 11.746 9.477 -0.552 1.00 . B A . 69 HEC O1A 1 1 32 38952 2 2 1 HEC O1D O 10.040 5.744 2.585 1.00 . B A . 69 HEC O1D 1 1 32 38953 2 2 1 HEC O2A O 11.705 11.686 -0.756 1.00 . B A . 69 HEC O2A 1 1 32 38954 2 2 1 HEC O2D O 8.128 6.799 3.087 1.00 . B A . 69 HEC O2D 1 1 32 38955 3 2 1 HEC C1A C -2.200 -4.335 -4.792 1.00 . C A . 70 HEC C1A 1 1 32 38956 3 2 1 HEC C1B C -0.447 -2.182 -1.544 1.00 . C A . 70 HEC C1B 1 1 32 38957 3 2 1 HEC C1C C -3.399 0.878 -1.966 1.00 . C A . 70 HEC C1C 1 1 32 38958 3 2 1 HEC C1D C -5.182 -1.255 -5.147 1.00 . C A . 70 HEC C1D 1 1 32 38959 3 2 1 HEC C2A C -1.242 -5.419 -4.819 1.00 . C A . 70 HEC C2A 1 1 32 38960 3 2 1 HEC C2B C 0.218 -1.585 -0.408 1.00 . C A . 70 HEC C2B 1 1 32 38961 3 2 1 HEC C2C C -4.252 2.038 -2.020 1.00 . C A . 70 HEC C2C 1 1 32 38962 3 2 1 HEC C2D C -5.872 -1.838 -6.269 1.00 . C A . 70 HEC C2D 1 1 32 38963 3 2 1 HEC C3A C -0.310 -5.163 -3.842 1.00 . C A . 70 HEC C3A 1 1 32 38964 3 2 1 HEC C3B C -0.461 -0.430 -0.097 1.00 . C A . 70 HEC C3B 1 1 32 38965 3 2 1 HEC C3C C -5.257 1.742 -2.908 1.00 . C A . 70 HEC C3C 1 1 32 38966 3 2 1 HEC C3D C -5.191 -2.976 -6.616 1.00 . C A . 70 HEC C3D 1 1 32 38967 3 2 1 HEC C4A C -0.705 -3.941 -3.179 1.00 . C A . 70 HEC C4A 1 1 32 38968 3 2 1 HEC C4B C -1.523 -0.301 -1.067 1.00 . C A . 70 HEC C4B 1 1 32 38969 3 2 1 HEC C4C C -4.866 0.510 -3.562 1.00 . C A . 70 HEC C4C 1 1 32 38970 3 2 1 HEC C4D C -4.133 -3.156 -5.648 1.00 . C A . 70 HEC C4D 1 1 32 38971 3 2 1 HEC CAA C -1.220 -6.591 -5.782 1.00 . C A . 70 HEC CAA 1 1 32 38972 3 2 1 HEC CAB C -0.169 0.535 1.043 1.00 . C A . 70 HEC CAB 1 1 32 38973 3 2 1 HEC CAC C -6.589 2.460 -3.064 1.00 . C A . 70 HEC CAC 1 1 32 38974 3 2 1 HEC CAD C -5.399 -3.735 -7.905 1.00 . C A . 70 HEC CAD 1 1 32 38975 3 2 1 HEC CBA C -1.921 -7.851 -5.253 1.00 . C A . 70 HEC CBA 1 1 32 38976 3 2 1 HEC CBB C 1.182 1.238 0.899 1.00 . C A . 70 HEC CBB 1 1 32 38977 3 2 1 HEC CBC C -6.512 3.634 -4.035 1.00 . C A . 70 HEC CBC 1 1 32 38978 3 2 1 HEC CBD C -6.477 -4.826 -7.854 1.00 . C A . 70 HEC CBD 1 1 32 38979 3 2 1 HEC CGA C -0.988 -8.733 -4.412 1.00 . C A . 70 HEC CGA 1 1 32 38980 3 2 1 HEC CGD C -6.841 -5.329 -9.258 1.00 . C A . 70 HEC CGD 1 1 32 38981 3 2 1 HEC CHA C -3.257 -4.218 -5.671 1.00 . C A . 70 HEC CHA 1 1 32 38982 3 2 1 HEC CHB C -0.034 -3.365 -2.119 1.00 . C A . 70 HEC CHB 1 1 32 38983 3 2 1 HEC CHC C -2.381 0.767 -1.077 1.00 . C A . 70 HEC CHC 1 1 32 38984 3 2 1 HEC CHD C -5.567 -0.063 -4.584 1.00 . C A . 70 HEC CHD 1 1 32 38985 3 2 1 HEC CMA C 0.929 -5.982 -3.579 1.00 . C A . 70 HEC CMA 1 1 32 38986 3 2 1 HEC CMB C 1.416 -2.158 0.310 1.00 . C A . 70 HEC CMB 1 1 32 38987 3 2 1 HEC CMC C -4.044 3.322 -1.247 1.00 . C A . 70 HEC CMC 1 1 32 38988 3 2 1 HEC CMD C -7.066 -1.263 -6.997 1.00 . C A . 70 HEC CMD 1 1 32 38989 3 2 1 HEC FE FE -2.761 -1.737 -3.364 1.00 . C A . 70 HEC FE 1 1 32 38990 3 2 1 HEC HAA1 H -1.689 -6.301 -6.720 1.00 . C A . 70 HEC HAA1 1 1 32 38991 3 2 1 HEC HAA2 H -0.190 -6.852 -6.026 1.00 . C A . 70 HEC HAA2 1 1 32 38992 3 2 1 HEC HAB H -0.885 1.345 1.068 1.00 . C A . 70 HEC HAB 1 1 32 38993 3 2 1 HEC HAC H -7.325 1.747 -3.432 1.00 . C A . 70 HEC HAC 1 1 32 38994 3 2 1 HEC HAD1 H -5.706 -2.999 -8.644 1.00 . C A . 70 HEC HAD1 1 1 32 38995 3 2 1 HEC HAD2 H -4.465 -4.177 -8.249 1.00 . C A . 70 HEC HAD2 1 1 32 38996 3 2 1 HEC HBA1 H -2.803 -7.563 -4.677 1.00 . C A . 70 HEC HBA1 1 1 32 38997 3 2 1 HEC HBA2 H -2.259 -8.436 -6.110 1.00 . C A . 70 HEC HBA2 1 1 32 38998 3 2 1 HEC HBB1 H 1.240 2.016 1.654 1.00 . C A . 70 HEC HBB1 1 1 32 38999 3 2 1 HEC HBB2 H 2.016 0.550 1.016 1.00 . C A . 70 HEC HBB2 1 1 32 39000 3 2 1 HEC HBB3 H 1.248 1.704 -0.086 1.00 . C A . 70 HEC HBB3 1 1 32 39001 3 2 1 HEC HBC1 H -5.835 4.392 -3.641 1.00 . C A . 70 HEC HBC1 1 1 32 39002 3 2 1 HEC HBC2 H -6.133 3.280 -4.987 1.00 . C A . 70 HEC HBC2 1 1 32 39003 3 2 1 HEC HBC3 H -7.498 4.076 -4.179 1.00 . C A . 70 HEC HBC3 1 1 32 39004 3 2 1 HEC HBD1 H -6.111 -5.653 -7.244 1.00 . C A . 70 HEC HBD1 1 1 32 39005 3 2 1 HEC HBD2 H -7.375 -4.419 -7.386 1.00 . C A . 70 HEC HBD2 1 1 32 39006 3 2 1 HEC HHA H -3.417 -4.995 -6.394 1.00 . C A . 70 HEC HHA 1 1 32 39007 3 2 1 HEC HHB H 0.826 -3.855 -1.699 1.00 . C A . 70 HEC HHB 1 1 32 39008 3 2 1 HEC HHC H -2.277 1.544 -0.351 1.00 . C A . 70 HEC HHC 1 1 32 39009 3 2 1 HEC HHD H -6.415 0.458 -4.985 1.00 . C A . 70 HEC HHD 1 1 32 39010 3 2 1 HEC HMA1 H 1.639 -5.425 -2.979 1.00 . C A . 70 HEC HMA1 1 1 32 39011 3 2 1 HEC HMA2 H 0.657 -6.904 -3.067 1.00 . C A . 70 HEC HMA2 1 1 32 39012 3 2 1 HEC HMA3 H 1.410 -6.226 -4.529 1.00 . C A . 70 HEC HMA3 1 1 32 39013 3 2 1 HEC HMB1 H 1.213 -3.199 0.549 1.00 . C A . 70 HEC HMB1 1 1 32 39014 3 2 1 HEC HMB2 H 2.294 -2.089 -0.334 1.00 . C A . 70 HEC HMB2 1 1 32 39015 3 2 1 HEC HMB3 H 1.598 -1.628 1.240 1.00 . C A . 70 HEC HMB3 1 1 32 39016 3 2 1 HEC HMC1 H -4.688 4.114 -1.625 1.00 . C A . 70 HEC HMC1 1 1 32 39017 3 2 1 HEC HMC2 H -4.254 3.163 -0.191 1.00 . C A . 70 HEC HMC2 1 1 32 39018 3 2 1 HEC HMC3 H -3.011 3.650 -1.363 1.00 . C A . 70 HEC HMC3 1 1 32 39019 3 2 1 HEC HMD1 H -6.727 -0.525 -7.723 1.00 . C A . 70 HEC HMD1 1 1 32 39020 3 2 1 HEC HMD2 H -7.613 -2.052 -7.511 1.00 . C A . 70 HEC HMD2 1 1 32 39021 3 2 1 HEC HMD3 H -7.745 -0.791 -6.291 1.00 . C A . 70 HEC HMD3 1 1 32 39022 3 2 1 HEC NA N -1.833 -3.474 -3.794 1.00 . C A . 70 HEC NA 1 1 32 39023 3 2 1 HEC NB N -1.488 -1.378 -1.899 1.00 . C A . 70 HEC NB 1 1 32 39024 3 2 1 HEC NC N -3.767 0.018 -2.933 1.00 . C A . 70 HEC NC 1 1 32 39025 3 2 1 HEC ND N -4.146 -2.075 -4.812 1.00 . C A . 70 HEC ND 1 1 32 39026 3 2 1 HEC O1A O -0.163 -9.442 -5.030 1.00 . C A . 70 HEC O1A 1 1 32 39027 3 2 1 HEC O1D O -7.646 -6.279 -9.346 1.00 . C A . 70 HEC O1D 1 1 32 39028 3 2 1 HEC O2A O -1.098 -8.686 -3.167 1.00 . C A . 70 HEC O2A 1 1 32 39029 3 2 1 HEC O2D O -6.322 -4.733 -10.235 1.00 . C A . 70 HEC O2D 1 1 32 39030 4 2 1 HEC C1A C 2.695 -5.978 9.233 1.00 . D A . 71 HEC C1A 1 1 32 39031 4 2 1 HEC C1B C -0.255 -9.058 8.795 1.00 . D A . 71 HEC C1B 1 1 32 39032 4 2 1 HEC C1C C -1.666 -7.250 5.220 1.00 . D A . 71 HEC C1C 1 1 32 39033 4 2 1 HEC C1D C 1.411 -4.302 5.523 1.00 . D A . 71 HEC C1D 1 1 32 39034 4 2 1 HEC C2A C 3.285 -6.516 10.443 1.00 . D A . 71 HEC C2A 1 1 32 39035 4 2 1 HEC C2B C -1.206 -10.143 8.825 1.00 . D A . 71 HEC C2B 1 1 32 39036 4 2 1 HEC C2C C -2.197 -6.800 3.957 1.00 . D A . 71 HEC C2C 1 1 32 39037 4 2 1 HEC C2D C 2.409 -3.266 5.451 1.00 . D A . 71 HEC C2D 1 1 32 39038 4 2 1 HEC C3A C 2.537 -7.611 10.798 1.00 . D A . 71 HEC C3A 1 1 32 39039 4 2 1 HEC C3B C -2.080 -9.945 7.780 1.00 . D A . 71 HEC C3B 1 1 32 39040 4 2 1 HEC C3C C -1.513 -5.656 3.630 1.00 . D A . 71 HEC C3C 1 1 32 39041 4 2 1 HEC C3D C 3.178 -3.359 6.589 1.00 . D A . 71 HEC C3D 1 1 32 39042 4 2 1 HEC C4A C 1.569 -7.826 9.753 1.00 . D A . 71 HEC C4A 1 1 32 39043 4 2 1 HEC C4B C -1.562 -8.826 7.022 1.00 . D A . 71 HEC C4B 1 1 32 39044 4 2 1 HEC C4C C -0.471 -5.498 4.617 1.00 . D A . 71 HEC C4C 1 1 32 39045 4 2 1 HEC C4D C 2.615 -4.425 7.386 1.00 . D A . 71 HEC C4D 1 1 32 39046 4 2 1 HEC CAA C 4.466 -5.990 11.236 1.00 . D A . 71 HEC CAA 1 1 32 39047 4 2 1 HEC CAB C -3.428 -10.624 7.581 1.00 . D A . 71 HEC CAB 1 1 32 39048 4 2 1 HEC CAC C -1.796 -4.675 2.505 1.00 . D A . 71 HEC CAC 1 1 32 39049 4 2 1 HEC CAD C 4.385 -2.517 6.953 1.00 . D A . 71 HEC CAD 1 1 32 39050 4 2 1 HEC CBA C 5.614 -6.995 11.444 1.00 . D A . 71 HEC CBA 1 1 32 39051 4 2 1 HEC CBB C -4.366 -10.477 8.780 1.00 . D A . 71 HEC CBB 1 1 32 39052 4 2 1 HEC CBC C -3.256 -4.501 2.098 1.00 . D A . 71 HEC CBC 1 1 32 39053 4 2 1 HEC CBD C 5.693 -3.289 7.243 1.00 . D A . 71 HEC CBD 1 1 32 39054 4 2 1 HEC CGA C 6.266 -6.844 12.825 1.00 . D A . 71 HEC CGA 1 1 32 39055 4 2 1 HEC CGD C 6.328 -3.009 8.625 1.00 . D A . 71 HEC CGD 1 1 32 39056 4 2 1 HEC CHA C 3.140 -4.848 8.584 1.00 . D A . 71 HEC CHA 1 1 32 39057 4 2 1 HEC CHB C 0.705 -8.893 9.757 1.00 . D A . 71 HEC CHB 1 1 32 39058 4 2 1 HEC CHC C -2.131 -8.365 5.862 1.00 . D A . 71 HEC CHC 1 1 32 39059 4 2 1 HEC CHD C 0.482 -4.517 4.535 1.00 . D A . 71 HEC CHD 1 1 32 39060 4 2 1 HEC CMA C 2.670 -8.425 12.065 1.00 . D A . 71 HEC CMA 1 1 32 39061 4 2 1 HEC CMB C -1.250 -11.244 9.861 1.00 . D A . 71 HEC CMB 1 1 32 39062 4 2 1 HEC CMC C -3.225 -7.525 3.116 1.00 . D A . 71 HEC CMC 1 1 32 39063 4 2 1 HEC CMD C 2.563 -2.291 4.310 1.00 . D A . 71 HEC CMD 1 1 32 39064 4 2 1 HEC FE FE 0.517 -6.588 7.230 1.00 . D A . 71 HEC FE 1 1 32 39065 4 2 1 HEC HAA1 H 4.906 -5.110 10.770 1.00 . D A . 71 HEC HAA1 1 1 32 39066 4 2 1 HEC HAA2 H 4.080 -5.701 12.212 1.00 . D A . 71 HEC HAA2 1 1 32 39067 4 2 1 HEC HAB H -3.970 -10.155 6.768 1.00 . D A . 71 HEC HAB 1 1 32 39068 4 2 1 HEC HAC H -1.488 -3.714 2.892 1.00 . D A . 71 HEC HAC 1 1 32 39069 4 2 1 HEC HAD1 H 4.600 -1.759 6.205 1.00 . D A . 71 HEC HAD1 1 1 32 39070 4 2 1 HEC HAD2 H 4.080 -1.988 7.838 1.00 . D A . 71 HEC HAD2 1 1 32 39071 4 2 1 HEC HBA1 H 5.242 -8.013 11.358 1.00 . D A . 71 HEC HBA1 1 1 32 39072 4 2 1 HEC HBA2 H 6.364 -6.850 10.665 1.00 . D A . 71 HEC HBA2 1 1 32 39073 4 2 1 HEC HBB1 H -5.335 -10.915 8.534 1.00 . D A . 71 HEC HBB1 1 1 32 39074 4 2 1 HEC HBB2 H -3.968 -10.976 9.661 1.00 . D A . 71 HEC HBB2 1 1 32 39075 4 2 1 HEC HBB3 H -4.506 -9.417 8.997 1.00 . D A . 71 HEC HBB3 1 1 32 39076 4 2 1 HEC HBC1 H -3.333 -3.617 1.464 1.00 . D A . 71 HEC HBC1 1 1 32 39077 4 2 1 HEC HBC2 H -3.590 -5.355 1.517 1.00 . D A . 71 HEC HBC2 1 1 32 39078 4 2 1 HEC HBC3 H -3.880 -4.381 2.977 1.00 . D A . 71 HEC HBC3 1 1 32 39079 4 2 1 HEC HBD1 H 5.508 -4.360 7.159 1.00 . D A . 71 HEC HBD1 1 1 32 39080 4 2 1 HEC HBD2 H 6.414 -3.026 6.466 1.00 . D A . 71 HEC HBD2 1 1 32 39081 4 2 1 HEC HHA H 3.971 -4.301 8.986 1.00 . D A . 71 HEC HHA 1 1 32 39082 4 2 1 HEC HHB H 0.779 -9.609 10.554 1.00 . D A . 71 HEC HHB 1 1 32 39083 4 2 1 HEC HHC H -2.944 -8.902 5.419 1.00 . D A . 71 HEC HHC 1 1 32 39084 4 2 1 HEC HHD H 0.509 -3.933 3.630 1.00 . D A . 71 HEC HHD 1 1 32 39085 4 2 1 HEC HMA1 H 3.069 -9.412 11.832 1.00 . D A . 71 HEC HMA1 1 1 32 39086 4 2 1 HEC HMA2 H 3.340 -7.936 12.770 1.00 . D A . 71 HEC HMA2 1 1 32 39087 4 2 1 HEC HMA3 H 1.692 -8.526 12.537 1.00 . D A . 71 HEC HMA3 1 1 32 39088 4 2 1 HEC HMB1 H -1.909 -12.050 9.542 1.00 . D A . 71 HEC HMB1 1 1 32 39089 4 2 1 HEC HMB2 H -0.254 -11.659 10.002 1.00 . D A . 71 HEC HMB2 1 1 32 39090 4 2 1 HEC HMB3 H -1.612 -10.836 10.804 1.00 . D A . 71 HEC HMB3 1 1 32 39091 4 2 1 HEC HMC1 H -3.189 -8.598 3.291 1.00 . D A . 71 HEC HMC1 1 1 32 39092 4 2 1 HEC HMC2 H -4.220 -7.152 3.357 1.00 . D A . 71 HEC HMC2 1 1 32 39093 4 2 1 HEC HMC3 H -3.003 -7.363 2.063 1.00 . D A . 71 HEC HMC3 1 1 32 39094 4 2 1 HEC HMD1 H 1.799 -1.520 4.357 1.00 . D A . 71 HEC HMD1 1 1 32 39095 4 2 1 HEC HMD2 H 3.549 -1.834 4.321 1.00 . D A . 71 HEC HMD2 1 1 32 39096 4 2 1 HEC HMD3 H 2.434 -2.821 3.373 1.00 . D A . 71 HEC HMD3 1 1 32 39097 4 2 1 HEC NA N 1.682 -6.820 8.848 1.00 . D A . 71 HEC NA 1 1 32 39098 4 2 1 HEC NB N -0.498 -8.300 7.696 1.00 . D A . 71 HEC NB 1 1 32 39099 4 2 1 HEC NC N -0.639 -6.441 5.578 1.00 . D A . 71 HEC NC 1 1 32 39100 4 2 1 HEC ND N 1.575 -4.968 6.692 1.00 . D A . 71 HEC ND 1 1 32 39101 4 2 1 HEC O1A O 6.468 -7.880 13.490 1.00 . D A . 71 HEC O1A 1 1 32 39102 4 2 1 HEC O1D O 5.615 -2.497 9.519 1.00 . D A . 71 HEC O1D 1 1 32 39103 4 2 1 HEC O2A O 6.521 -5.686 13.231 1.00 . D A . 71 HEC O2A 1 1 32 39104 4 2 1 HEC O2D O 7.506 -3.378 8.803 1.00 . D A . 71 HEC O2D 1 1 33 39105 1 1 1 ALA C C 10.377 2.538 -7.592 1.00 . A A . 1 ALA C 1 1 33 39106 1 1 1 ALA CA C 11.308 3.691 -7.224 1.00 . A A . 1 ALA CA 1 1 33 39107 1 1 1 ALA CB C 12.445 3.222 -6.306 1.00 . A A . 1 ALA CB 1 1 33 39108 1 1 1 ALA H1 H 10.065 4.382 -5.748 1.00 . A A . 1 ALA H1 1 1 33 39109 1 1 1 ALA H2 H 11.102 5.526 -6.263 1.00 . A A . 1 ALA H2 1 1 33 39110 1 1 1 ALA H3 H 9.829 5.125 -7.200 1.00 . A A . 1 ALA H3 1 1 33 39111 1 1 1 ALA HA H 11.759 4.097 -8.132 1.00 . A A . 1 ALA HA 1 1 33 39112 1 1 1 ALA HB1 H 13.122 4.052 -6.100 1.00 . A A . 1 ALA HB1 1 1 33 39113 1 1 1 ALA HB2 H 12.044 2.852 -5.360 1.00 . A A . 1 ALA HB2 1 1 33 39114 1 1 1 ALA HB3 H 13.004 2.421 -6.790 1.00 . A A . 1 ALA HB3 1 1 33 39115 1 1 1 ALA N N 10.518 4.746 -6.573 1.00 . A A . 1 ALA N 1 1 33 39116 1 1 1 ALA O O 10.050 1.738 -6.728 1.00 . A A . 1 ALA O 1 1 33 39117 1 1 2 ASP C C 9.137 0.133 -8.784 1.00 . A A . 2 ASP C 1 1 33 39118 1 1 2 ASP CA C 9.006 1.519 -9.430 1.00 . A A . 2 ASP CA 1 1 33 39119 1 1 2 ASP CB C 9.304 1.436 -10.938 1.00 . A A . 2 ASP CB 1 1 33 39120 1 1 2 ASP CG C 9.193 2.760 -11.689 1.00 . A A . 2 ASP CG 1 1 33 39121 1 1 2 ASP H H 10.087 3.270 -9.493 1.00 . A A . 2 ASP H 1 1 33 39122 1 1 2 ASP HA H 7.983 1.880 -9.316 1.00 . A A . 2 ASP HA 1 1 33 39123 1 1 2 ASP HB2 H 10.320 1.065 -11.080 1.00 . A A . 2 ASP HB2 1 1 33 39124 1 1 2 ASP HB3 H 8.616 0.724 -11.394 1.00 . A A . 2 ASP HB3 1 1 33 39125 1 1 2 ASP N N 9.891 2.512 -8.836 1.00 . A A . 2 ASP N 1 1 33 39126 1 1 2 ASP O O 10.157 -0.528 -8.956 1.00 . A A . 2 ASP O 1 1 33 39127 1 1 2 ASP OD1 O 9.400 3.812 -11.039 1.00 . A A . 2 ASP OD1 1 1 33 39128 1 1 2 ASP OD2 O 8.915 2.693 -12.906 1.00 . A A . 2 ASP OD2 1 1 33 39129 1 1 3 VAL C C 8.951 -1.521 -6.127 1.00 . A A . 3 VAL C 1 1 33 39130 1 1 3 VAL CA C 8.003 -1.548 -7.333 1.00 . A A . 3 VAL CA 1 1 33 39131 1 1 3 VAL CB C 8.198 -2.778 -8.244 1.00 . A A . 3 VAL CB 1 1 33 39132 1 1 3 VAL CG1 C 7.789 -4.053 -7.492 1.00 . A A . 3 VAL CG1 1 1 33 39133 1 1 3 VAL CG2 C 7.360 -2.681 -9.530 1.00 . A A . 3 VAL CG2 1 1 33 39134 1 1 3 VAL H H 7.307 0.333 -7.978 1.00 . A A . 3 VAL H 1 1 33 39135 1 1 3 VAL HA H 6.988 -1.603 -6.949 1.00 . A A . 3 VAL HA 1 1 33 39136 1 1 3 VAL HB H 9.247 -2.873 -8.528 1.00 . A A . 3 VAL HB 1 1 33 39137 1 1 3 VAL HG11 H 8.397 -4.177 -6.596 1.00 . A A . 3 VAL HG11 1 1 33 39138 1 1 3 VAL HG12 H 6.738 -4.004 -7.206 1.00 . A A . 3 VAL HG12 1 1 33 39139 1 1 3 VAL HG13 H 7.938 -4.922 -8.134 1.00 . A A . 3 VAL HG13 1 1 33 39140 1 1 3 VAL HG21 H 6.307 -2.535 -9.288 1.00 . A A . 3 VAL HG21 1 1 33 39141 1 1 3 VAL HG22 H 7.702 -1.856 -10.153 1.00 . A A . 3 VAL HG22 1 1 33 39142 1 1 3 VAL HG23 H 7.463 -3.602 -10.102 1.00 . A A . 3 VAL HG23 1 1 33 39143 1 1 3 VAL N N 8.086 -0.292 -8.071 1.00 . A A . 3 VAL N 1 1 33 39144 1 1 3 VAL O O 10.134 -1.830 -6.249 1.00 . A A . 3 VAL O 1 1 33 39145 1 1 4 VAL C C 8.740 -2.330 -2.873 1.00 . A A . 4 VAL C 1 1 33 39146 1 1 4 VAL CA C 9.189 -1.140 -3.709 1.00 . A A . 4 VAL CA 1 1 33 39147 1 1 4 VAL CB C 8.936 0.183 -2.968 1.00 . A A . 4 VAL CB 1 1 33 39148 1 1 4 VAL CG1 C 9.614 0.253 -1.585 1.00 . A A . 4 VAL CG1 1 1 33 39149 1 1 4 VAL CG2 C 9.397 1.384 -3.790 1.00 . A A . 4 VAL CG2 1 1 33 39150 1 1 4 VAL H H 7.416 -1.115 -4.845 1.00 . A A . 4 VAL H 1 1 33 39151 1 1 4 VAL HA H 10.259 -1.223 -3.881 1.00 . A A . 4 VAL HA 1 1 33 39152 1 1 4 VAL HB H 7.863 0.278 -2.864 1.00 . A A . 4 VAL HB 1 1 33 39153 1 1 4 VAL HG11 H 9.166 -0.450 -0.881 1.00 . A A . 4 VAL HG11 1 1 33 39154 1 1 4 VAL HG12 H 10.675 0.027 -1.677 1.00 . A A . 4 VAL HG12 1 1 33 39155 1 1 4 VAL HG13 H 9.501 1.250 -1.161 1.00 . A A . 4 VAL HG13 1 1 33 39156 1 1 4 VAL HG21 H 8.770 1.463 -4.675 1.00 . A A . 4 VAL HG21 1 1 33 39157 1 1 4 VAL HG22 H 9.280 2.298 -3.207 1.00 . A A . 4 VAL HG22 1 1 33 39158 1 1 4 VAL HG23 H 10.442 1.261 -4.070 1.00 . A A . 4 VAL HG23 1 1 33 39159 1 1 4 VAL N N 8.426 -1.166 -4.950 1.00 . A A . 4 VAL N 1 1 33 39160 1 1 4 VAL O O 7.682 -2.909 -3.125 1.00 . A A . 4 VAL O 1 1 33 39161 1 1 5 THR C C 9.393 -2.739 0.601 1.00 . A A . 5 THR C 1 1 33 39162 1 1 5 THR CA C 8.999 -3.397 -0.718 1.00 . A A . 5 THR CA 1 1 33 39163 1 1 5 THR CB C 9.461 -4.858 -0.798 1.00 . A A . 5 THR CB 1 1 33 39164 1 1 5 THR CG2 C 10.983 -5.025 -0.854 1.00 . A A . 5 THR CG2 1 1 33 39165 1 1 5 THR H H 10.389 -2.173 -1.682 1.00 . A A . 5 THR H 1 1 33 39166 1 1 5 THR HA H 7.915 -3.296 -0.764 1.00 . A A . 5 THR HA 1 1 33 39167 1 1 5 THR HB H 9.040 -5.312 -1.694 1.00 . A A . 5 THR HB 1 1 33 39168 1 1 5 THR HG1 H 8.174 -5.057 0.595 1.00 . A A . 5 THR HG1 1 1 33 39169 1 1 5 THR HG21 H 11.454 -4.589 0.027 1.00 . A A . 5 THR HG21 1 1 33 39170 1 1 5 THR HG22 H 11.225 -6.088 -0.886 1.00 . A A . 5 THR HG22 1 1 33 39171 1 1 5 THR HG23 H 11.385 -4.550 -1.748 1.00 . A A . 5 THR HG23 1 1 33 39172 1 1 5 THR N N 9.518 -2.659 -1.841 1.00 . A A . 5 THR N 1 1 33 39173 1 1 5 THR O O 10.503 -2.228 0.736 1.00 . A A . 5 THR O 1 1 33 39174 1 1 5 THR OG1 O 8.978 -5.524 0.340 1.00 . A A . 5 THR OG1 1 1 33 39175 1 1 6 TYR C C 9.660 -3.113 3.769 1.00 . A A . 6 TYR C 1 1 33 39176 1 1 6 TYR CA C 8.730 -2.234 2.919 1.00 . A A . 6 TYR CA 1 1 33 39177 1 1 6 TYR CB C 7.409 -2.028 3.662 1.00 . A A . 6 TYR CB 1 1 33 39178 1 1 6 TYR CD1 C 6.702 0.255 2.842 1.00 . A A . 6 TYR CD1 1 1 33 39179 1 1 6 TYR CD2 C 5.284 -1.668 2.382 1.00 . A A . 6 TYR CD2 1 1 33 39180 1 1 6 TYR CE1 C 5.815 1.076 2.128 1.00 . A A . 6 TYR CE1 1 1 33 39181 1 1 6 TYR CE2 C 4.397 -0.852 1.675 1.00 . A A . 6 TYR CE2 1 1 33 39182 1 1 6 TYR CG C 6.434 -1.120 2.962 1.00 . A A . 6 TYR CG 1 1 33 39183 1 1 6 TYR CZ C 4.652 0.522 1.566 1.00 . A A . 6 TYR CZ 1 1 33 39184 1 1 6 TYR H H 7.578 -3.176 1.366 1.00 . A A . 6 TYR H 1 1 33 39185 1 1 6 TYR HA H 9.168 -1.254 2.805 1.00 . A A . 6 TYR HA 1 1 33 39186 1 1 6 TYR HB2 H 6.952 -3.003 3.838 1.00 . A A . 6 TYR HB2 1 1 33 39187 1 1 6 TYR HB3 H 7.618 -1.578 4.633 1.00 . A A . 6 TYR HB3 1 1 33 39188 1 1 6 TYR HD1 H 7.601 0.676 3.268 1.00 . A A . 6 TYR HD1 1 1 33 39189 1 1 6 TYR HD2 H 5.112 -2.727 2.432 1.00 . A A . 6 TYR HD2 1 1 33 39190 1 1 6 TYR HE1 H 6.093 2.092 1.902 1.00 . A A . 6 TYR HE1 1 1 33 39191 1 1 6 TYR HE2 H 3.613 -1.311 1.096 1.00 . A A . 6 TYR HE2 1 1 33 39192 1 1 6 TYR HH H 3.865 0.776 -0.158 1.00 . A A . 6 TYR HH 1 1 33 39193 1 1 6 TYR N N 8.486 -2.775 1.581 1.00 . A A . 6 TYR N 1 1 33 39194 1 1 6 TYR O O 9.413 -3.239 4.962 1.00 . A A . 6 TYR O 1 1 33 39195 1 1 6 TYR OH O 3.933 1.252 0.676 1.00 . A A . 6 TYR OH 1 1 33 39196 1 1 7 GLU C C 11.406 -5.077 5.208 1.00 . A A . 7 GLU C 1 1 33 39197 1 1 7 GLU CA C 11.479 -4.842 3.690 1.00 . A A . 7 GLU CA 1 1 33 39198 1 1 7 GLU CB C 12.901 -4.804 3.143 1.00 . A A . 7 GLU CB 1 1 33 39199 1 1 7 GLU CD C 14.978 -3.472 2.647 1.00 . A A . 7 GLU CD 1 1 33 39200 1 1 7 GLU CG C 13.603 -3.447 3.300 1.00 . A A . 7 GLU CG 1 1 33 39201 1 1 7 GLU H H 10.913 -3.413 2.231 1.00 . A A . 7 GLU H 1 1 33 39202 1 1 7 GLU HA H 11.043 -5.732 3.236 1.00 . A A . 7 GLU HA 1 1 33 39203 1 1 7 GLU HB2 H 13.463 -5.585 3.651 1.00 . A A . 7 GLU HB2 1 1 33 39204 1 1 7 GLU HB3 H 12.849 -5.054 2.084 1.00 . A A . 7 GLU HB3 1 1 33 39205 1 1 7 GLU HG2 H 13.028 -2.656 2.822 1.00 . A A . 7 GLU HG2 1 1 33 39206 1 1 7 GLU HG3 H 13.715 -3.209 4.358 1.00 . A A . 7 GLU HG3 1 1 33 39207 1 1 7 GLU N N 10.689 -3.724 3.169 1.00 . A A . 7 GLU N 1 1 33 39208 1 1 7 GLU O O 12.279 -4.706 5.990 1.00 . A A . 7 GLU O 1 1 33 39209 1 1 7 GLU OE1 O 15.005 -3.475 1.397 1.00 . A A . 7 GLU OE1 1 1 33 39210 1 1 7 GLU OE2 O 15.972 -3.508 3.403 1.00 . A A . 7 GLU OE2 1 1 33 39211 1 1 8 ASN C C 9.991 -7.384 7.368 1.00 . A A . 8 ASN C 1 1 33 39212 1 1 8 ASN CA C 9.823 -5.927 6.946 1.00 . A A . 8 ASN CA 1 1 33 39213 1 1 8 ASN CB C 8.350 -5.511 6.993 1.00 . A A . 8 ASN CB 1 1 33 39214 1 1 8 ASN CG C 7.574 -6.210 5.890 1.00 . A A . 8 ASN CG 1 1 33 39215 1 1 8 ASN H H 9.688 -5.942 4.828 1.00 . A A . 8 ASN H 1 1 33 39216 1 1 8 ASN HA H 10.381 -5.297 7.639 1.00 . A A . 8 ASN HA 1 1 33 39217 1 1 8 ASN HB2 H 7.914 -5.756 7.959 1.00 . A A . 8 ASN HB2 1 1 33 39218 1 1 8 ASN HB3 H 8.269 -4.436 6.852 1.00 . A A . 8 ASN HB3 1 1 33 39219 1 1 8 ASN HD21 H 7.063 -7.679 7.128 1.00 . A A . 8 ASN HD21 1 1 33 39220 1 1 8 ASN HD22 H 6.575 -7.885 5.424 1.00 . A A . 8 ASN HD22 1 1 33 39221 1 1 8 ASN N N 10.320 -5.742 5.586 1.00 . A A . 8 ASN N 1 1 33 39222 1 1 8 ASN ND2 N 7.072 -7.408 6.153 1.00 . A A . 8 ASN ND2 1 1 33 39223 1 1 8 ASN O O 10.330 -8.238 6.548 1.00 . A A . 8 ASN O 1 1 33 39224 1 1 8 ASN OD1 O 7.533 -5.742 4.757 1.00 . A A . 8 ASN OD1 1 1 33 39225 1 1 9 LYS C C 9.208 -10.064 8.802 1.00 . A A . 9 LYS C 1 1 33 39226 1 1 9 LYS CA C 10.131 -8.939 9.265 1.00 . A A . 9 LYS CA 1 1 33 39227 1 1 9 LYS CB C 10.107 -8.776 10.795 1.00 . A A . 9 LYS CB 1 1 33 39228 1 1 9 LYS CD C 12.588 -8.984 11.327 1.00 . A A . 9 LYS CD 1 1 33 39229 1 1 9 LYS CE C 13.513 -9.776 10.391 1.00 . A A . 9 LYS CE 1 1 33 39230 1 1 9 LYS CG C 11.187 -9.600 11.508 1.00 . A A . 9 LYS CG 1 1 33 39231 1 1 9 LYS H H 9.166 -7.082 9.212 1.00 . A A . 9 LYS H 1 1 33 39232 1 1 9 LYS HA H 11.136 -9.161 8.926 1.00 . A A . 9 LYS HA 1 1 33 39233 1 1 9 LYS HB2 H 10.237 -7.727 11.066 1.00 . A A . 9 LYS HB2 1 1 33 39234 1 1 9 LYS HB3 H 9.128 -9.079 11.169 1.00 . A A . 9 LYS HB3 1 1 33 39235 1 1 9 LYS HD2 H 12.486 -7.972 10.925 1.00 . A A . 9 LYS HD2 1 1 33 39236 1 1 9 LYS HD3 H 13.062 -8.884 12.307 1.00 . A A . 9 LYS HD3 1 1 33 39237 1 1 9 LYS HE2 H 13.041 -9.904 9.417 1.00 . A A . 9 LYS HE2 1 1 33 39238 1 1 9 LYS HE3 H 14.423 -9.192 10.242 1.00 . A A . 9 LYS HE3 1 1 33 39239 1 1 9 LYS HG2 H 10.941 -9.578 12.572 1.00 . A A . 9 LYS HG2 1 1 33 39240 1 1 9 LYS HG3 H 11.129 -10.633 11.167 1.00 . A A . 9 LYS HG3 1 1 33 39241 1 1 9 LYS HZ1 H 13.051 -11.666 11.061 1.00 . A A . 9 LYS HZ1 1 1 33 39242 1 1 9 LYS HZ2 H 14.504 -11.569 10.302 1.00 . A A . 9 LYS HZ2 1 1 33 39243 1 1 9 LYS HZ3 H 14.340 -10.990 11.832 1.00 . A A . 9 LYS HZ3 1 1 33 39244 1 1 9 LYS N N 9.770 -7.682 8.647 1.00 . A A . 9 LYS N 1 1 33 39245 1 1 9 LYS NZ N 13.877 -11.098 10.941 1.00 . A A . 9 LYS NZ 1 1 33 39246 1 1 9 LYS O O 9.681 -11.168 8.544 1.00 . A A . 9 LYS O 1 1 33 39247 1 1 10 LYS C C 7.275 -11.519 7.055 1.00 . A A . 10 LYS C 1 1 33 39248 1 1 10 LYS CA C 6.878 -10.736 8.304 1.00 . A A . 10 LYS CA 1 1 33 39249 1 1 10 LYS CB C 5.571 -9.988 8.012 1.00 . A A . 10 LYS CB 1 1 33 39250 1 1 10 LYS CD C 4.082 -11.039 9.827 1.00 . A A . 10 LYS CD 1 1 33 39251 1 1 10 LYS CE C 3.450 -11.887 8.708 1.00 . A A . 10 LYS CE 1 1 33 39252 1 1 10 LYS CG C 4.747 -9.767 9.273 1.00 . A A . 10 LYS CG 1 1 33 39253 1 1 10 LYS H H 7.626 -8.854 9.069 1.00 . A A . 10 LYS H 1 1 33 39254 1 1 10 LYS HA H 6.716 -11.460 9.101 1.00 . A A . 10 LYS HA 1 1 33 39255 1 1 10 LYS HB2 H 5.797 -9.007 7.612 1.00 . A A . 10 LYS HB2 1 1 33 39256 1 1 10 LYS HB3 H 4.984 -10.502 7.253 1.00 . A A . 10 LYS HB3 1 1 33 39257 1 1 10 LYS HD2 H 4.827 -11.628 10.365 1.00 . A A . 10 LYS HD2 1 1 33 39258 1 1 10 LYS HD3 H 3.322 -10.716 10.541 1.00 . A A . 10 LYS HD3 1 1 33 39259 1 1 10 LYS HE2 H 2.838 -11.243 8.074 1.00 . A A . 10 LYS HE2 1 1 33 39260 1 1 10 LYS HE3 H 4.233 -12.343 8.098 1.00 . A A . 10 LYS HE3 1 1 33 39261 1 1 10 LYS HG2 H 5.429 -9.340 10.010 1.00 . A A . 10 LYS HG2 1 1 33 39262 1 1 10 LYS HG3 H 3.985 -9.023 9.034 1.00 . A A . 10 LYS HG3 1 1 33 39263 1 1 10 LYS HZ1 H 2.297 -13.541 8.427 1.00 . A A . 10 LYS HZ1 1 1 33 39264 1 1 10 LYS HZ2 H 3.169 -13.590 9.819 1.00 . A A . 10 LYS HZ2 1 1 33 39265 1 1 10 LYS HZ3 H 1.824 -12.634 9.722 1.00 . A A . 10 LYS HZ3 1 1 33 39266 1 1 10 LYS N N 7.903 -9.782 8.726 1.00 . A A . 10 LYS N 1 1 33 39267 1 1 10 LYS NZ N 2.620 -12.994 9.216 1.00 . A A . 10 LYS NZ 1 1 33 39268 1 1 10 LYS O O 7.344 -12.745 7.074 1.00 . A A . 10 LYS O 1 1 33 39269 1 1 11 GLY C C 7.406 -10.242 3.622 1.00 . A A . 11 GLY C 1 1 33 39270 1 1 11 GLY CA C 7.503 -11.378 4.625 1.00 . A A . 11 GLY CA 1 1 33 39271 1 1 11 GLY H H 7.361 -9.789 6.036 1.00 . A A . 11 GLY H 1 1 33 39272 1 1 11 GLY HA2 H 8.447 -11.910 4.501 1.00 . A A . 11 GLY HA2 1 1 33 39273 1 1 11 GLY HA3 H 6.677 -12.075 4.473 1.00 . A A . 11 GLY HA3 1 1 33 39274 1 1 11 GLY N N 7.427 -10.793 5.951 1.00 . A A . 11 GLY N 1 1 33 39275 1 1 11 GLY O O 6.366 -10.072 2.985 1.00 . A A . 11 GLY O 1 1 33 39276 1 1 12 ASN C C 7.575 -7.878 1.881 1.00 . A A . 12 ASN C 1 1 33 39277 1 1 12 ASN CA C 8.745 -8.248 2.794 1.00 . A A . 12 ASN CA 1 1 33 39278 1 1 12 ASN CB C 10.025 -8.402 1.975 1.00 . A A . 12 ASN CB 1 1 33 39279 1 1 12 ASN CG C 11.274 -8.803 2.762 1.00 . A A . 12 ASN CG 1 1 33 39280 1 1 12 ASN H H 9.233 -9.734 4.211 1.00 . A A . 12 ASN H 1 1 33 39281 1 1 12 ASN HA H 8.943 -7.420 3.477 1.00 . A A . 12 ASN HA 1 1 33 39282 1 1 12 ASN HB2 H 9.814 -9.148 1.216 1.00 . A A . 12 ASN HB2 1 1 33 39283 1 1 12 ASN HB3 H 10.240 -7.461 1.470 1.00 . A A . 12 ASN HB3 1 1 33 39284 1 1 12 ASN HD21 H 10.551 -8.291 4.671 1.00 . A A . 12 ASN HD21 1 1 33 39285 1 1 12 ASN HD22 H 12.153 -8.920 4.562 1.00 . A A . 12 ASN HD22 1 1 33 39286 1 1 12 ASN N N 8.487 -9.450 3.591 1.00 . A A . 12 ASN N 1 1 33 39287 1 1 12 ASN ND2 N 11.309 -8.645 4.087 1.00 . A A . 12 ASN ND2 1 1 33 39288 1 1 12 ASN O O 7.394 -8.438 0.800 1.00 . A A . 12 ASN O 1 1 33 39289 1 1 12 ASN OD1 O 12.234 -9.283 2.170 1.00 . A A . 12 ASN OD1 1 1 33 39290 1 1 13 VAL C C 5.928 -5.731 0.450 1.00 . A A . 13 VAL C 1 1 33 39291 1 1 13 VAL CA C 5.549 -6.502 1.704 1.00 . A A . 13 VAL CA 1 1 33 39292 1 1 13 VAL CB C 4.735 -5.615 2.654 1.00 . A A . 13 VAL CB 1 1 33 39293 1 1 13 VAL CG1 C 3.560 -4.993 1.894 1.00 . A A . 13 VAL CG1 1 1 33 39294 1 1 13 VAL CG2 C 4.206 -6.404 3.850 1.00 . A A . 13 VAL CG2 1 1 33 39295 1 1 13 VAL H H 7.078 -6.452 3.181 1.00 . A A . 13 VAL H 1 1 33 39296 1 1 13 VAL HA H 4.952 -7.376 1.440 1.00 . A A . 13 VAL HA 1 1 33 39297 1 1 13 VAL HB H 5.375 -4.825 3.045 1.00 . A A . 13 VAL HB 1 1 33 39298 1 1 13 VAL HG11 H 3.910 -4.186 1.248 1.00 . A A . 13 VAL HG11 1 1 33 39299 1 1 13 VAL HG12 H 3.061 -5.750 1.290 1.00 . A A . 13 VAL HG12 1 1 33 39300 1 1 13 VAL HG13 H 2.851 -4.589 2.606 1.00 . A A . 13 VAL HG13 1 1 33 39301 1 1 13 VAL HG21 H 5.033 -6.887 4.364 1.00 . A A . 13 VAL HG21 1 1 33 39302 1 1 13 VAL HG22 H 3.723 -5.719 4.545 1.00 . A A . 13 VAL HG22 1 1 33 39303 1 1 13 VAL HG23 H 3.488 -7.150 3.518 1.00 . A A . 13 VAL HG23 1 1 33 39304 1 1 13 VAL N N 6.768 -6.936 2.353 1.00 . A A . 13 VAL N 1 1 33 39305 1 1 13 VAL O O 6.408 -4.598 0.550 1.00 . A A . 13 VAL O 1 1 33 39306 1 1 14 THR C C 4.734 -4.769 -2.267 1.00 . A A . 14 THR C 1 1 33 39307 1 1 14 THR CA C 5.924 -5.689 -1.992 1.00 . A A . 14 THR CA 1 1 33 39308 1 1 14 THR CB C 6.157 -6.734 -3.095 1.00 . A A . 14 THR CB 1 1 33 39309 1 1 14 THR CG2 C 4.922 -7.595 -3.383 1.00 . A A . 14 THR CG2 1 1 33 39310 1 1 14 THR H H 5.359 -7.284 -0.700 1.00 . A A . 14 THR H 1 1 33 39311 1 1 14 THR HA H 6.819 -5.075 -1.934 1.00 . A A . 14 THR HA 1 1 33 39312 1 1 14 THR HB H 6.970 -7.389 -2.776 1.00 . A A . 14 THR HB 1 1 33 39313 1 1 14 THR HG1 H 6.625 -6.728 -4.991 1.00 . A A . 14 THR HG1 1 1 33 39314 1 1 14 THR HG21 H 4.567 -8.070 -2.469 1.00 . A A . 14 THR HG21 1 1 33 39315 1 1 14 THR HG22 H 4.120 -6.985 -3.801 1.00 . A A . 14 THR HG22 1 1 33 39316 1 1 14 THR HG23 H 5.179 -8.374 -4.102 1.00 . A A . 14 THR HG23 1 1 33 39317 1 1 14 THR N N 5.737 -6.348 -0.713 1.00 . A A . 14 THR N 1 1 33 39318 1 1 14 THR O O 3.618 -5.031 -1.812 1.00 . A A . 14 THR O 1 1 33 39319 1 1 14 THR OG1 O 6.562 -6.083 -4.281 1.00 . A A . 14 THR OG1 1 1 33 39320 1 1 15 PHE C C 4.372 -2.218 -4.835 1.00 . A A . 15 PHE C 1 1 33 39321 1 1 15 PHE CA C 3.913 -2.836 -3.521 1.00 . A A . 15 PHE CA 1 1 33 39322 1 1 15 PHE CB C 3.467 -1.778 -2.507 1.00 . A A . 15 PHE CB 1 1 33 39323 1 1 15 PHE CD1 C 5.539 -1.230 -1.200 1.00 . A A . 15 PHE CD1 1 1 33 39324 1 1 15 PHE CD2 C 4.498 0.538 -2.517 1.00 . A A . 15 PHE CD2 1 1 33 39325 1 1 15 PHE CE1 C 6.461 -0.309 -0.693 1.00 . A A . 15 PHE CE1 1 1 33 39326 1 1 15 PHE CE2 C 5.422 1.463 -2.004 1.00 . A A . 15 PHE CE2 1 1 33 39327 1 1 15 PHE CG C 4.534 -0.800 -2.080 1.00 . A A . 15 PHE CG 1 1 33 39328 1 1 15 PHE CZ C 6.369 1.044 -1.054 1.00 . A A . 15 PHE CZ 1 1 33 39329 1 1 15 PHE H H 5.920 -3.482 -3.302 1.00 . A A . 15 PHE H 1 1 33 39330 1 1 15 PHE HA H 3.043 -3.465 -3.724 1.00 . A A . 15 PHE HA 1 1 33 39331 1 1 15 PHE HB2 H 2.629 -1.227 -2.932 1.00 . A A . 15 PHE HB2 1 1 33 39332 1 1 15 PHE HB3 H 3.113 -2.282 -1.611 1.00 . A A . 15 PHE HB3 1 1 33 39333 1 1 15 PHE HD1 H 5.563 -2.252 -0.848 1.00 . A A . 15 PHE HD1 1 1 33 39334 1 1 15 PHE HD2 H 3.762 0.860 -3.241 1.00 . A A . 15 PHE HD2 1 1 33 39335 1 1 15 PHE HE1 H 7.158 -0.619 0.071 1.00 . A A . 15 PHE HE1 1 1 33 39336 1 1 15 PHE HE2 H 5.387 2.497 -2.315 1.00 . A A . 15 PHE HE2 1 1 33 39337 1 1 15 PHE HZ H 7.060 1.737 -0.615 1.00 . A A . 15 PHE HZ 1 1 33 39338 1 1 15 PHE N N 4.969 -3.682 -3.002 1.00 . A A . 15 PHE N 1 1 33 39339 1 1 15 PHE O O 5.385 -1.512 -4.914 1.00 . A A . 15 PHE O 1 1 33 39340 1 1 16 ASP C C 3.536 -0.564 -7.317 1.00 . A A . 16 ASP C 1 1 33 39341 1 1 16 ASP CA C 3.836 -2.061 -7.232 1.00 . A A . 16 ASP CA 1 1 33 39342 1 1 16 ASP CB C 2.970 -2.912 -8.169 1.00 . A A . 16 ASP CB 1 1 33 39343 1 1 16 ASP CG C 3.121 -4.401 -7.898 1.00 . A A . 16 ASP CG 1 1 33 39344 1 1 16 ASP H H 2.932 -3.270 -5.797 1.00 . A A . 16 ASP H 1 1 33 39345 1 1 16 ASP HA H 4.876 -2.244 -7.492 1.00 . A A . 16 ASP HA 1 1 33 39346 1 1 16 ASP HB2 H 1.916 -2.675 -8.023 1.00 . A A . 16 ASP HB2 1 1 33 39347 1 1 16 ASP HB3 H 3.262 -2.717 -9.199 1.00 . A A . 16 ASP HB3 1 1 33 39348 1 1 16 ASP N N 3.606 -2.507 -5.880 1.00 . A A . 16 ASP N 1 1 33 39349 1 1 16 ASP O O 2.473 -0.156 -7.781 1.00 . A A . 16 ASP O 1 1 33 39350 1 1 16 ASP OD1 O 2.629 -4.807 -6.819 1.00 . A A . 16 ASP OD1 1 1 33 39351 1 1 16 ASP OD2 O 3.738 -5.080 -8.744 1.00 . A A . 16 ASP OD2 1 1 33 39352 1 1 17 HIS C C 3.894 2.304 -8.065 1.00 . A A . 17 HIS C 1 1 33 39353 1 1 17 HIS CA C 4.388 1.702 -6.739 1.00 . A A . 17 HIS CA 1 1 33 39354 1 1 17 HIS CB C 5.774 2.221 -6.315 1.00 . A A . 17 HIS CB 1 1 33 39355 1 1 17 HIS CD2 C 5.246 4.448 -5.175 1.00 . A A . 17 HIS CD2 1 1 33 39356 1 1 17 HIS CE1 C 6.249 5.832 -6.546 1.00 . A A . 17 HIS CE1 1 1 33 39357 1 1 17 HIS CG C 5.862 3.712 -6.150 1.00 . A A . 17 HIS CG 1 1 33 39358 1 1 17 HIS H H 5.212 -0.212 -6.299 1.00 . A A . 17 HIS H 1 1 33 39359 1 1 17 HIS HA H 3.668 1.960 -5.960 1.00 . A A . 17 HIS HA 1 1 33 39360 1 1 17 HIS HB2 H 6.037 1.767 -5.358 1.00 . A A . 17 HIS HB2 1 1 33 39361 1 1 17 HIS HB3 H 6.524 1.919 -7.043 1.00 . A A . 17 HIS HB3 1 1 33 39362 1 1 17 HIS HD1 H 6.965 4.361 -7.866 1.00 . A A . 17 HIS HD1 1 1 33 39363 1 1 17 HIS HD2 H 4.619 4.066 -4.386 1.00 . A A . 17 HIS HD2 1 1 33 39364 1 1 17 HIS HE1 H 6.545 6.748 -7.032 1.00 . A A . 17 HIS HE1 1 1 33 39365 1 1 17 HIS N N 4.471 0.248 -6.816 1.00 . A A . 17 HIS N 1 1 33 39366 1 1 17 HIS ND1 N 6.491 4.591 -7.005 1.00 . A A . 17 HIS ND1 1 1 33 39367 1 1 17 HIS NE2 N 5.487 5.794 -5.443 1.00 . A A . 17 HIS NE2 1 1 33 39368 1 1 17 HIS O O 2.791 2.844 -8.149 1.00 . A A . 17 HIS O 1 1 33 39369 1 1 18 LYS C C 3.018 2.059 -10.902 1.00 . A A . 18 LYS C 1 1 33 39370 1 1 18 LYS CA C 4.366 2.621 -10.457 1.00 . A A . 18 LYS CA 1 1 33 39371 1 1 18 LYS CB C 5.468 2.219 -11.445 1.00 . A A . 18 LYS CB 1 1 33 39372 1 1 18 LYS CD C 6.089 2.278 -13.892 1.00 . A A . 18 LYS CD 1 1 33 39373 1 1 18 LYS CE C 5.523 2.279 -15.316 1.00 . A A . 18 LYS CE 1 1 33 39374 1 1 18 LYS CG C 4.956 2.387 -12.881 1.00 . A A . 18 LYS CG 1 1 33 39375 1 1 18 LYS H H 5.597 1.733 -8.983 1.00 . A A . 18 LYS H 1 1 33 39376 1 1 18 LYS HA H 4.295 3.710 -10.448 1.00 . A A . 18 LYS HA 1 1 33 39377 1 1 18 LYS HB2 H 6.336 2.861 -11.281 1.00 . A A . 18 LYS HB2 1 1 33 39378 1 1 18 LYS HB3 H 5.759 1.180 -11.292 1.00 . A A . 18 LYS HB3 1 1 33 39379 1 1 18 LYS HD2 H 6.752 3.135 -13.756 1.00 . A A . 18 LYS HD2 1 1 33 39380 1 1 18 LYS HD3 H 6.641 1.359 -13.685 1.00 . A A . 18 LYS HD3 1 1 33 39381 1 1 18 LYS HE2 H 4.731 1.530 -15.409 1.00 . A A . 18 LYS HE2 1 1 33 39382 1 1 18 LYS HE3 H 5.089 3.260 -15.526 1.00 . A A . 18 LYS HE3 1 1 33 39383 1 1 18 LYS HG2 H 4.228 1.607 -13.111 1.00 . A A . 18 LYS HG2 1 1 33 39384 1 1 18 LYS HG3 H 4.474 3.359 -12.969 1.00 . A A . 18 LYS HG3 1 1 33 39385 1 1 18 LYS HZ1 H 6.195 2.056 -17.237 1.00 . A A . 18 LYS HZ1 1 1 33 39386 1 1 18 LYS HZ2 H 7.340 2.642 -16.196 1.00 . A A . 18 LYS HZ2 1 1 33 39387 1 1 18 LYS HZ3 H 6.927 1.050 -16.157 1.00 . A A . 18 LYS HZ3 1 1 33 39388 1 1 18 LYS N N 4.707 2.173 -9.117 1.00 . A A . 18 LYS N 1 1 33 39389 1 1 18 LYS NZ N 6.577 1.986 -16.304 1.00 . A A . 18 LYS NZ 1 1 33 39390 1 1 18 LYS O O 2.183 2.796 -11.406 1.00 . A A . 18 LYS O 1 1 33 39391 1 1 19 ALA C C 0.373 0.849 -10.599 1.00 . A A . 19 ALA C 1 1 33 39392 1 1 19 ALA CA C 1.572 0.128 -11.208 1.00 . A A . 19 ALA CA 1 1 33 39393 1 1 19 ALA CB C 1.536 -1.326 -10.789 1.00 . A A . 19 ALA CB 1 1 33 39394 1 1 19 ALA H H 3.582 0.183 -10.449 1.00 . A A . 19 ALA H 1 1 33 39395 1 1 19 ALA HA H 1.510 0.154 -12.294 1.00 . A A . 19 ALA HA 1 1 33 39396 1 1 19 ALA HB1 H 2.427 -1.840 -11.143 1.00 . A A . 19 ALA HB1 1 1 33 39397 1 1 19 ALA HB2 H 1.476 -1.336 -9.708 1.00 . A A . 19 ALA HB2 1 1 33 39398 1 1 19 ALA HB3 H 0.643 -1.796 -11.199 1.00 . A A . 19 ALA HB3 1 1 33 39399 1 1 19 ALA N N 2.822 0.749 -10.789 1.00 . A A . 19 ALA N 1 1 33 39400 1 1 19 ALA O O -0.498 1.322 -11.322 1.00 . A A . 19 ALA O 1 1 33 39401 1 1 20 HIS C C -0.822 3.101 -9.223 1.00 . A A . 20 HIS C 1 1 33 39402 1 1 20 HIS CA C -0.728 1.705 -8.603 1.00 . A A . 20 HIS CA 1 1 33 39403 1 1 20 HIS CB C -0.474 1.780 -7.092 1.00 . A A . 20 HIS CB 1 1 33 39404 1 1 20 HIS CD2 C -1.793 0.225 -5.509 1.00 . A A . 20 HIS CD2 1 1 33 39405 1 1 20 HIS CE1 C -0.458 -1.504 -5.477 1.00 . A A . 20 HIS CE1 1 1 33 39406 1 1 20 HIS CG C -0.730 0.493 -6.337 1.00 . A A . 20 HIS CG 1 1 33 39407 1 1 20 HIS H H 1.137 0.665 -8.728 1.00 . A A . 20 HIS H 1 1 33 39408 1 1 20 HIS HA H -1.677 1.194 -8.771 1.00 . A A . 20 HIS HA 1 1 33 39409 1 1 20 HIS HB2 H 0.548 2.109 -6.903 1.00 . A A . 20 HIS HB2 1 1 33 39410 1 1 20 HIS HB3 H -1.146 2.534 -6.695 1.00 . A A . 20 HIS HB3 1 1 33 39411 1 1 20 HIS HD1 H 0.969 -0.702 -6.821 1.00 . A A . 20 HIS HD1 1 1 33 39412 1 1 20 HIS HD2 H -2.619 0.884 -5.304 1.00 . A A . 20 HIS HD2 1 1 33 39413 1 1 20 HIS HE1 H -0.037 -2.473 -5.262 1.00 . A A . 20 HIS HE1 1 1 33 39414 1 1 20 HIS N N 0.336 0.970 -9.270 1.00 . A A . 20 HIS N 1 1 33 39415 1 1 20 HIS ND1 N 0.100 -0.601 -6.305 1.00 . A A . 20 HIS ND1 1 1 33 39416 1 1 20 HIS NE2 N -1.617 -1.052 -4.962 1.00 . A A . 20 HIS NE2 1 1 33 39417 1 1 20 HIS O O -1.911 3.611 -9.464 1.00 . A A . 20 HIS O 1 1 33 39418 1 1 21 ALA C C -0.399 4.996 -11.514 1.00 . A A . 21 ALA C 1 1 33 39419 1 1 21 ALA CA C 0.356 5.008 -10.176 1.00 . A A . 21 ALA CA 1 1 33 39420 1 1 21 ALA CB C 1.789 5.530 -10.316 1.00 . A A . 21 ALA CB 1 1 33 39421 1 1 21 ALA H H 1.186 3.157 -9.420 1.00 . A A . 21 ALA H 1 1 33 39422 1 1 21 ALA HA H -0.166 5.702 -9.515 1.00 . A A . 21 ALA HA 1 1 33 39423 1 1 21 ALA HB1 H 2.293 5.114 -11.183 1.00 . A A . 21 ALA HB1 1 1 33 39424 1 1 21 ALA HB2 H 1.749 6.606 -10.459 1.00 . A A . 21 ALA HB2 1 1 33 39425 1 1 21 ALA HB3 H 2.368 5.291 -9.421 1.00 . A A . 21 ALA HB3 1 1 33 39426 1 1 21 ALA N N 0.328 3.699 -9.535 1.00 . A A . 21 ALA N 1 1 33 39427 1 1 21 ALA O O -1.320 5.771 -11.708 1.00 . A A . 21 ALA O 1 1 33 39428 1 1 22 GLU C C -2.141 3.671 -13.692 1.00 . A A . 22 GLU C 1 1 33 39429 1 1 22 GLU CA C -0.671 4.080 -13.766 1.00 . A A . 22 GLU CA 1 1 33 39430 1 1 22 GLU CB C 0.107 3.216 -14.776 1.00 . A A . 22 GLU CB 1 1 33 39431 1 1 22 GLU CD C 0.904 0.911 -15.442 1.00 . A A . 22 GLU CD 1 1 33 39432 1 1 22 GLU CG C 0.483 1.813 -14.293 1.00 . A A . 22 GLU CG 1 1 33 39433 1 1 22 GLU H H 0.591 3.400 -12.146 1.00 . A A . 22 GLU H 1 1 33 39434 1 1 22 GLU HA H -0.653 5.098 -14.160 1.00 . A A . 22 GLU HA 1 1 33 39435 1 1 22 GLU HB2 H -0.518 3.104 -15.664 1.00 . A A . 22 GLU HB2 1 1 33 39436 1 1 22 GLU HB3 H 1.024 3.729 -15.064 1.00 . A A . 22 GLU HB3 1 1 33 39437 1 1 22 GLU HG2 H 1.314 1.901 -13.600 1.00 . A A . 22 GLU HG2 1 1 33 39438 1 1 22 GLU HG3 H -0.365 1.345 -13.801 1.00 . A A . 22 GLU HG3 1 1 33 39439 1 1 22 GLU N N -0.057 4.107 -12.440 1.00 . A A . 22 GLU N 1 1 33 39440 1 1 22 GLU O O -2.972 4.229 -14.405 1.00 . A A . 22 GLU O 1 1 33 39441 1 1 22 GLU OE1 O 2.082 1.007 -15.845 1.00 . A A . 22 GLU OE1 1 1 33 39442 1 1 22 GLU OE2 O 0.028 0.132 -15.889 1.00 . A A . 22 GLU OE2 1 1 33 39443 1 1 23 LYS C C -4.727 3.273 -12.108 1.00 . A A . 23 LYS C 1 1 33 39444 1 1 23 LYS CA C -3.836 2.204 -12.743 1.00 . A A . 23 LYS CA 1 1 33 39445 1 1 23 LYS CB C -3.889 0.889 -11.953 1.00 . A A . 23 LYS CB 1 1 33 39446 1 1 23 LYS CD C -3.232 -0.496 -14.040 1.00 . A A . 23 LYS CD 1 1 33 39447 1 1 23 LYS CE C -2.398 -1.719 -14.458 1.00 . A A . 23 LYS CE 1 1 33 39448 1 1 23 LYS CG C -3.043 -0.253 -12.540 1.00 . A A . 23 LYS CG 1 1 33 39449 1 1 23 LYS H H -1.747 2.256 -12.286 1.00 . A A . 23 LYS H 1 1 33 39450 1 1 23 LYS HA H -4.233 2.020 -13.742 1.00 . A A . 23 LYS HA 1 1 33 39451 1 1 23 LYS HB2 H -3.555 1.073 -10.931 1.00 . A A . 23 LYS HB2 1 1 33 39452 1 1 23 LYS HB3 H -4.927 0.563 -11.916 1.00 . A A . 23 LYS HB3 1 1 33 39453 1 1 23 LYS HD2 H -4.289 -0.656 -14.263 1.00 . A A . 23 LYS HD2 1 1 33 39454 1 1 23 LYS HD3 H -2.876 0.389 -14.573 1.00 . A A . 23 LYS HD3 1 1 33 39455 1 1 23 LYS HE2 H -1.504 -1.789 -13.833 1.00 . A A . 23 LYS HE2 1 1 33 39456 1 1 23 LYS HE3 H -2.988 -2.627 -14.314 1.00 . A A . 23 LYS HE3 1 1 33 39457 1 1 23 LYS HG2 H -1.992 -0.025 -12.402 1.00 . A A . 23 LYS HG2 1 1 33 39458 1 1 23 LYS HG3 H -3.269 -1.163 -11.981 1.00 . A A . 23 LYS HG3 1 1 33 39459 1 1 23 LYS HZ1 H -1.420 -2.451 -16.112 1.00 . A A . 23 LYS HZ1 1 1 33 39460 1 1 23 LYS HZ2 H -2.699 -1.474 -16.492 1.00 . A A . 23 LYS HZ2 1 1 33 39461 1 1 23 LYS HZ3 H -1.278 -0.840 -15.933 1.00 . A A . 23 LYS HZ3 1 1 33 39462 1 1 23 LYS N N -2.469 2.681 -12.858 1.00 . A A . 23 LYS N 1 1 33 39463 1 1 23 LYS NZ N -1.932 -1.620 -15.854 1.00 . A A . 23 LYS NZ 1 1 33 39464 1 1 23 LYS O O -5.866 3.447 -12.535 1.00 . A A . 23 LYS O 1 1 33 39465 1 1 24 LEU C C -4.827 6.328 -10.793 1.00 . A A . 24 LEU C 1 1 33 39466 1 1 24 LEU CA C -5.022 4.896 -10.295 1.00 . A A . 24 LEU CA 1 1 33 39467 1 1 24 LEU CB C -4.670 4.772 -8.809 1.00 . A A . 24 LEU CB 1 1 33 39468 1 1 24 LEU CD1 C -4.130 3.289 -6.889 1.00 . A A . 24 LEU CD1 1 1 33 39469 1 1 24 LEU CD2 C -6.169 2.809 -8.257 1.00 . A A . 24 LEU CD2 1 1 33 39470 1 1 24 LEU CG C -4.731 3.326 -8.291 1.00 . A A . 24 LEU CG 1 1 33 39471 1 1 24 LEU H H -3.282 3.769 -10.756 1.00 . A A . 24 LEU H 1 1 33 39472 1 1 24 LEU HA H -6.083 4.660 -10.397 1.00 . A A . 24 LEU HA 1 1 33 39473 1 1 24 LEU HB2 H -3.672 5.176 -8.642 1.00 . A A . 24 LEU HB2 1 1 33 39474 1 1 24 LEU HB3 H -5.377 5.380 -8.244 1.00 . A A . 24 LEU HB3 1 1 33 39475 1 1 24 LEU HD11 H -4.692 3.969 -6.261 1.00 . A A . 24 LEU HD11 1 1 33 39476 1 1 24 LEU HD12 H -4.176 2.280 -6.481 1.00 . A A . 24 LEU HD12 1 1 33 39477 1 1 24 LEU HD13 H -3.094 3.621 -6.920 1.00 . A A . 24 LEU HD13 1 1 33 39478 1 1 24 LEU HD21 H -6.804 3.482 -7.679 1.00 . A A . 24 LEU HD21 1 1 33 39479 1 1 24 LEU HD22 H -6.563 2.711 -9.267 1.00 . A A . 24 LEU HD22 1 1 33 39480 1 1 24 LEU HD23 H -6.173 1.830 -7.787 1.00 . A A . 24 LEU HD23 1 1 33 39481 1 1 24 LEU HG H -4.144 2.650 -8.912 1.00 . A A . 24 LEU HG 1 1 33 39482 1 1 24 LEU N N -4.228 3.960 -11.075 1.00 . A A . 24 LEU N 1 1 33 39483 1 1 24 LEU O O -5.801 6.998 -11.125 1.00 . A A . 24 LEU O 1 1 33 39484 1 1 25 GLY C C -1.946 8.549 -10.594 1.00 . A A . 25 GLY C 1 1 33 39485 1 1 25 GLY CA C -3.239 8.137 -11.284 1.00 . A A . 25 GLY CA 1 1 33 39486 1 1 25 GLY H H -2.771 6.195 -10.682 1.00 . A A . 25 GLY H 1 1 33 39487 1 1 25 GLY HA2 H -3.076 8.119 -12.362 1.00 . A A . 25 GLY HA2 1 1 33 39488 1 1 25 GLY HA3 H -4.028 8.852 -11.047 1.00 . A A . 25 GLY HA3 1 1 33 39489 1 1 25 GLY N N -3.579 6.801 -10.840 1.00 . A A . 25 GLY N 1 1 33 39490 1 1 25 GLY O O -0.866 8.420 -11.167 1.00 . A A . 25 GLY O 1 1 33 39491 1 1 26 CYS C C -1.497 10.058 -7.220 1.00 . A A . 26 CYS C 1 1 33 39492 1 1 26 CYS CA C -0.943 9.503 -8.530 1.00 . A A . 26 CYS CA 1 1 33 39493 1 1 26 CYS CB C -0.151 10.590 -9.245 1.00 . A A . 26 CYS CB 1 1 33 39494 1 1 26 CYS H H -3.015 9.074 -8.971 1.00 . A A . 26 CYS H 1 1 33 39495 1 1 26 CYS HA H -0.322 8.644 -8.293 1.00 . A A . 26 CYS HA 1 1 33 39496 1 1 26 CYS HB2 H -0.027 10.417 -10.309 1.00 . A A . 26 CYS HB2 1 1 33 39497 1 1 26 CYS HB3 H -0.650 11.554 -9.145 1.00 . A A . 26 CYS HB3 1 1 33 39498 1 1 26 CYS N N -2.063 9.029 -9.354 1.00 . A A . 26 CYS N 1 1 33 39499 1 1 26 CYS O O -1.116 9.662 -6.113 1.00 . A A . 26 CYS O 1 1 33 39500 1 1 26 CYS SG S 1.510 10.738 -8.554 1.00 . A A . 26 CYS SG 1 1 33 39501 1 1 27 ASP C C -3.700 10.499 -5.370 1.00 . A A . 27 ASP C 1 1 33 39502 1 1 27 ASP CA C -3.427 11.495 -6.489 1.00 . A A . 27 ASP CA 1 1 33 39503 1 1 27 ASP CB C -4.710 11.831 -7.280 1.00 . A A . 27 ASP CB 1 1 33 39504 1 1 27 ASP CG C -5.297 10.682 -8.113 1.00 . A A . 27 ASP CG 1 1 33 39505 1 1 27 ASP H H -2.820 10.909 -8.371 1.00 . A A . 27 ASP H 1 1 33 39506 1 1 27 ASP HA H -3.024 12.411 -6.055 1.00 . A A . 27 ASP HA 1 1 33 39507 1 1 27 ASP HB2 H -5.473 12.166 -6.576 1.00 . A A . 27 ASP HB2 1 1 33 39508 1 1 27 ASP HB3 H -4.497 12.654 -7.962 1.00 . A A . 27 ASP HB3 1 1 33 39509 1 1 27 ASP N N -2.463 10.954 -7.425 1.00 . A A . 27 ASP N 1 1 33 39510 1 1 27 ASP O O -3.493 10.811 -4.200 1.00 . A A . 27 ASP O 1 1 33 39511 1 1 27 ASP OD1 O -4.531 9.733 -8.425 1.00 . A A . 27 ASP OD1 1 1 33 39512 1 1 27 ASP OD2 O -6.500 10.773 -8.424 1.00 . A A . 27 ASP OD2 1 1 33 39513 1 1 28 ALA C C -3.682 8.075 -3.621 1.00 . A A . 28 ALA C 1 1 33 39514 1 1 28 ALA CA C -4.393 8.121 -4.974 1.00 . A A . 28 ALA CA 1 1 33 39515 1 1 28 ALA CB C -4.048 6.882 -5.797 1.00 . A A . 28 ALA CB 1 1 33 39516 1 1 28 ALA H H -4.207 9.199 -6.785 1.00 . A A . 28 ALA H 1 1 33 39517 1 1 28 ALA HA H -5.469 8.132 -4.805 1.00 . A A . 28 ALA HA 1 1 33 39518 1 1 28 ALA HB1 H -4.296 5.990 -5.226 1.00 . A A . 28 ALA HB1 1 1 33 39519 1 1 28 ALA HB2 H -4.619 6.900 -6.724 1.00 . A A . 28 ALA HB2 1 1 33 39520 1 1 28 ALA HB3 H -2.984 6.877 -6.036 1.00 . A A . 28 ALA HB3 1 1 33 39521 1 1 28 ALA N N -4.090 9.290 -5.777 1.00 . A A . 28 ALA N 1 1 33 39522 1 1 28 ALA O O -4.320 7.780 -2.613 1.00 . A A . 28 ALA O 1 1 33 39523 1 1 29 CYS C C -0.792 9.505 -2.104 1.00 . A A . 29 CYS C 1 1 33 39524 1 1 29 CYS CA C -1.557 8.211 -2.394 1.00 . A A . 29 CYS CA 1 1 33 39525 1 1 29 CYS CB C -0.583 7.077 -2.564 1.00 . A A . 29 CYS CB 1 1 33 39526 1 1 29 CYS H H -1.912 8.590 -4.474 1.00 . A A . 29 CYS H 1 1 33 39527 1 1 29 CYS HA H -2.178 7.997 -1.523 1.00 . A A . 29 CYS HA 1 1 33 39528 1 1 29 CYS HB2 H 0.140 7.388 -3.316 1.00 . A A . 29 CYS HB2 1 1 33 39529 1 1 29 CYS HB3 H -0.058 6.896 -1.624 1.00 . A A . 29 CYS HB3 1 1 33 39530 1 1 29 CYS N N -2.367 8.316 -3.607 1.00 . A A . 29 CYS N 1 1 33 39531 1 1 29 CYS O O -0.028 9.564 -1.141 1.00 . A A . 29 CYS O 1 1 33 39532 1 1 29 CYS SG S -1.410 5.541 -3.093 1.00 . A A . 29 CYS SG 1 1 33 39533 1 1 30 HIS C C -0.807 12.945 -3.284 1.00 . A A . 30 HIS C 1 1 33 39534 1 1 30 HIS CA C -0.037 11.672 -2.963 1.00 . A A . 30 HIS CA 1 1 33 39535 1 1 30 HIS CB C 1.081 11.420 -3.980 1.00 . A A . 30 HIS CB 1 1 33 39536 1 1 30 HIS CD2 C 2.509 9.348 -4.376 1.00 . A A . 30 HIS CD2 1 1 33 39537 1 1 30 HIS CE1 C 3.795 9.395 -2.616 1.00 . A A . 30 HIS CE1 1 1 33 39538 1 1 30 HIS CG C 2.057 10.349 -3.578 1.00 . A A . 30 HIS CG 1 1 33 39539 1 1 30 HIS H H -1.694 10.510 -3.629 1.00 . A A . 30 HIS H 1 1 33 39540 1 1 30 HIS HA H 0.404 11.831 -1.979 1.00 . A A . 30 HIS HA 1 1 33 39541 1 1 30 HIS HB2 H 0.626 11.164 -4.938 1.00 . A A . 30 HIS HB2 1 1 33 39542 1 1 30 HIS HB3 H 1.644 12.342 -4.127 1.00 . A A . 30 HIS HB3 1 1 33 39543 1 1 30 HIS HD1 H 2.790 11.062 -1.745 1.00 . A A . 30 HIS HD1 1 1 33 39544 1 1 30 HIS HD2 H 2.114 9.103 -5.339 1.00 . A A . 30 HIS HD2 1 1 33 39545 1 1 30 HIS HE1 H 4.608 9.155 -1.949 1.00 . A A . 30 HIS HE1 1 1 33 39546 1 1 30 HIS N N -0.943 10.533 -2.943 1.00 . A A . 30 HIS N 1 1 33 39547 1 1 30 HIS ND1 N 2.870 10.375 -2.477 1.00 . A A . 30 HIS ND1 1 1 33 39548 1 1 30 HIS NE2 N 3.617 8.751 -3.774 1.00 . A A . 30 HIS NE2 1 1 33 39549 1 1 30 HIS O O -0.516 13.626 -4.265 1.00 . A A . 30 HIS O 1 1 33 39550 1 1 31 GLU C C -1.670 15.706 -2.279 1.00 . A A . 31 GLU C 1 1 33 39551 1 1 31 GLU CA C -2.553 14.493 -2.546 1.00 . A A . 31 GLU CA 1 1 33 39552 1 1 31 GLU CB C -3.727 14.481 -1.555 1.00 . A A . 31 GLU CB 1 1 33 39553 1 1 31 GLU CD C -5.820 13.271 -0.909 1.00 . A A . 31 GLU CD 1 1 33 39554 1 1 31 GLU CG C -4.426 13.125 -1.504 1.00 . A A . 31 GLU CG 1 1 33 39555 1 1 31 GLU H H -1.930 12.644 -1.651 1.00 . A A . 31 GLU H 1 1 33 39556 1 1 31 GLU HA H -2.950 14.547 -3.562 1.00 . A A . 31 GLU HA 1 1 33 39557 1 1 31 GLU HB2 H -3.434 14.731 -0.536 1.00 . A A . 31 GLU HB2 1 1 33 39558 1 1 31 GLU HB3 H -4.443 15.232 -1.890 1.00 . A A . 31 GLU HB3 1 1 33 39559 1 1 31 GLU HG2 H -4.482 12.748 -2.519 1.00 . A A . 31 GLU HG2 1 1 33 39560 1 1 31 GLU HG3 H -3.866 12.419 -0.894 1.00 . A A . 31 GLU HG3 1 1 33 39561 1 1 31 GLU N N -1.757 13.281 -2.414 1.00 . A A . 31 GLU N 1 1 33 39562 1 1 31 GLU O O -1.511 16.595 -3.109 1.00 . A A . 31 GLU O 1 1 33 39563 1 1 31 GLU OE1 O -5.878 13.671 0.274 1.00 . A A . 31 GLU OE1 1 1 33 39564 1 1 31 GLU OE2 O -6.792 13.021 -1.650 1.00 . A A . 31 GLU OE2 1 1 33 39565 1 1 32 GLY C C 0.953 17.003 -1.344 1.00 . A A . 32 GLY C 1 1 33 39566 1 1 32 GLY CA C -0.333 16.822 -0.542 1.00 . A A . 32 GLY CA 1 1 33 39567 1 1 32 GLY H H -1.371 14.933 -0.479 1.00 . A A . 32 GLY H 1 1 33 39568 1 1 32 GLY HA2 H -0.923 17.739 -0.591 1.00 . A A . 32 GLY HA2 1 1 33 39569 1 1 32 GLY HA3 H -0.084 16.624 0.501 1.00 . A A . 32 GLY HA3 1 1 33 39570 1 1 32 GLY N N -1.121 15.718 -1.065 1.00 . A A . 32 GLY N 1 1 33 39571 1 1 32 GLY O O 1.152 18.030 -1.988 1.00 . A A . 32 GLY O 1 1 33 39572 1 1 33 THR C C 3.733 14.604 -1.795 1.00 . A A . 33 THR C 1 1 33 39573 1 1 33 THR CA C 3.102 15.984 -2.005 1.00 . A A . 33 THR CA 1 1 33 39574 1 1 33 THR CB C 4.036 17.120 -1.531 1.00 . A A . 33 THR CB 1 1 33 39575 1 1 33 THR CG2 C 4.200 17.192 -0.007 1.00 . A A . 33 THR CG2 1 1 33 39576 1 1 33 THR H H 1.638 15.205 -0.700 1.00 . A A . 33 THR H 1 1 33 39577 1 1 33 THR HA H 2.873 16.141 -3.059 1.00 . A A . 33 THR HA 1 1 33 39578 1 1 33 THR HB H 3.625 18.074 -1.868 1.00 . A A . 33 THR HB 1 1 33 39579 1 1 33 THR HG1 H 5.848 16.381 -1.617 1.00 . A A . 33 THR HG1 1 1 33 39580 1 1 33 THR HG21 H 4.891 17.998 0.243 1.00 . A A . 33 THR HG21 1 1 33 39581 1 1 33 THR HG22 H 3.242 17.405 0.469 1.00 . A A . 33 THR HG22 1 1 33 39582 1 1 33 THR HG23 H 4.591 16.256 0.389 1.00 . A A . 33 THR HG23 1 1 33 39583 1 1 33 THR N N 1.839 16.008 -1.279 1.00 . A A . 33 THR N 1 1 33 39584 1 1 33 THR O O 3.643 14.066 -0.690 1.00 . A A . 33 THR O 1 1 33 39585 1 1 33 THR OG1 O 5.315 17.000 -2.122 1.00 . A A . 33 THR OG1 1 1 33 39586 1 1 34 PRO C C 6.446 12.922 -1.965 1.00 . A A . 34 PRO C 1 1 33 39587 1 1 34 PRO CA C 5.097 12.747 -2.656 1.00 . A A . 34 PRO CA 1 1 33 39588 1 1 34 PRO CB C 5.226 12.192 -4.068 1.00 . A A . 34 PRO CB 1 1 33 39589 1 1 34 PRO CD C 4.440 14.464 -4.180 1.00 . A A . 34 PRO CD 1 1 33 39590 1 1 34 PRO CG C 5.337 13.460 -4.901 1.00 . A A . 34 PRO CG 1 1 33 39591 1 1 34 PRO HA H 4.547 12.049 -2.043 1.00 . A A . 34 PRO HA 1 1 33 39592 1 1 34 PRO HB2 H 6.084 11.532 -4.173 1.00 . A A . 34 PRO HB2 1 1 33 39593 1 1 34 PRO HB3 H 4.320 11.665 -4.358 1.00 . A A . 34 PRO HB3 1 1 33 39594 1 1 34 PRO HD2 H 4.850 15.471 -4.271 1.00 . A A . 34 PRO HD2 1 1 33 39595 1 1 34 PRO HD3 H 3.438 14.426 -4.610 1.00 . A A . 34 PRO HD3 1 1 33 39596 1 1 34 PRO HG2 H 6.370 13.802 -4.875 1.00 . A A . 34 PRO HG2 1 1 33 39597 1 1 34 PRO HG3 H 5.001 13.278 -5.914 1.00 . A A . 34 PRO HG3 1 1 33 39598 1 1 34 PRO N N 4.392 14.011 -2.802 1.00 . A A . 34 PRO N 1 1 33 39599 1 1 34 PRO O O 7.465 12.392 -2.404 1.00 . A A . 34 PRO O 1 1 33 39600 1 1 35 ALA C C 7.814 12.505 0.868 1.00 . A A . 35 ALA C 1 1 33 39601 1 1 35 ALA CA C 7.648 13.747 -0.013 1.00 . A A . 35 ALA CA 1 1 33 39602 1 1 35 ALA CB C 7.527 15.043 0.791 1.00 . A A . 35 ALA CB 1 1 33 39603 1 1 35 ALA H H 5.562 13.886 -0.423 1.00 . A A . 35 ALA H 1 1 33 39604 1 1 35 ALA HA H 8.529 13.837 -0.652 1.00 . A A . 35 ALA HA 1 1 33 39605 1 1 35 ALA HB1 H 8.430 15.199 1.383 1.00 . A A . 35 ALA HB1 1 1 33 39606 1 1 35 ALA HB2 H 7.402 15.880 0.103 1.00 . A A . 35 ALA HB2 1 1 33 39607 1 1 35 ALA HB3 H 6.664 14.991 1.455 1.00 . A A . 35 ALA HB3 1 1 33 39608 1 1 35 ALA N N 6.451 13.600 -0.820 1.00 . A A . 35 ALA N 1 1 33 39609 1 1 35 ALA O O 7.991 12.648 2.076 1.00 . A A . 35 ALA O 1 1 33 39610 1 1 36 LYS C C 6.499 9.816 1.843 1.00 . A A . 36 LYS C 1 1 33 39611 1 1 36 LYS CA C 7.656 9.988 0.844 1.00 . A A . 36 LYS CA 1 1 33 39612 1 1 36 LYS CB C 9.016 9.524 1.376 1.00 . A A . 36 LYS CB 1 1 33 39613 1 1 36 LYS CD C 10.582 9.454 3.303 1.00 . A A . 36 LYS CD 1 1 33 39614 1 1 36 LYS CE C 9.812 8.520 4.248 1.00 . A A . 36 LYS CE 1 1 33 39615 1 1 36 LYS CG C 9.578 10.329 2.548 1.00 . A A . 36 LYS CG 1 1 33 39616 1 1 36 LYS H H 7.716 11.315 -0.763 1.00 . A A . 36 LYS H 1 1 33 39617 1 1 36 LYS HA H 7.414 9.341 0.000 1.00 . A A . 36 LYS HA 1 1 33 39618 1 1 36 LYS HB2 H 8.905 8.501 1.705 1.00 . A A . 36 LYS HB2 1 1 33 39619 1 1 36 LYS HB3 H 9.742 9.533 0.563 1.00 . A A . 36 LYS HB3 1 1 33 39620 1 1 36 LYS HD2 H 11.172 8.891 2.574 1.00 . A A . 36 LYS HD2 1 1 33 39621 1 1 36 LYS HD3 H 11.252 10.091 3.883 1.00 . A A . 36 LYS HD3 1 1 33 39622 1 1 36 LYS HE2 H 9.585 9.082 5.151 1.00 . A A . 36 LYS HE2 1 1 33 39623 1 1 36 LYS HE3 H 8.857 8.221 3.818 1.00 . A A . 36 LYS HE3 1 1 33 39624 1 1 36 LYS HG2 H 10.073 11.211 2.147 1.00 . A A . 36 LYS HG2 1 1 33 39625 1 1 36 LYS HG3 H 8.787 10.646 3.231 1.00 . A A . 36 LYS HG3 1 1 33 39626 1 1 36 LYS HZ1 H 10.082 6.724 5.228 1.00 . A A . 36 LYS HZ1 1 1 33 39627 1 1 36 LYS HZ2 H 10.516 6.711 3.666 1.00 . A A . 36 LYS HZ2 1 1 33 39628 1 1 36 LYS HZ3 H 11.510 7.438 4.781 1.00 . A A . 36 LYS HZ3 1 1 33 39629 1 1 36 LYS N N 7.751 11.314 0.249 1.00 . A A . 36 LYS N 1 1 33 39630 1 1 36 LYS NZ N 10.551 7.271 4.522 1.00 . A A . 36 LYS NZ 1 1 33 39631 1 1 36 LYS O O 5.998 10.792 2.393 1.00 . A A . 36 LYS O 1 1 33 39632 1 1 37 ILE C C 5.379 7.617 4.240 1.00 . A A . 37 ILE C 1 1 33 39633 1 1 37 ILE CA C 4.910 8.324 2.969 1.00 . A A . 37 ILE CA 1 1 33 39634 1 1 37 ILE CB C 3.804 7.521 2.270 1.00 . A A . 37 ILE CB 1 1 33 39635 1 1 37 ILE CD1 C 3.102 9.504 0.779 1.00 . A A . 37 ILE CD1 1 1 33 39636 1 1 37 ILE CG1 C 3.491 8.022 0.856 1.00 . A A . 37 ILE CG1 1 1 33 39637 1 1 37 ILE CG2 C 2.529 7.508 3.126 1.00 . A A . 37 ILE CG2 1 1 33 39638 1 1 37 ILE H H 6.427 7.792 1.533 1.00 . A A . 37 ILE H 1 1 33 39639 1 1 37 ILE HA H 4.459 9.258 3.292 1.00 . A A . 37 ILE HA 1 1 33 39640 1 1 37 ILE HB H 4.140 6.490 2.158 1.00 . A A . 37 ILE HB 1 1 33 39641 1 1 37 ILE HD11 H 2.440 9.642 -0.072 1.00 . A A . 37 ILE HD11 1 1 33 39642 1 1 37 ILE HD12 H 2.566 9.836 1.664 1.00 . A A . 37 ILE HD12 1 1 33 39643 1 1 37 ILE HD13 H 3.988 10.124 0.648 1.00 . A A . 37 ILE HD13 1 1 33 39644 1 1 37 ILE HG12 H 4.370 7.840 0.239 1.00 . A A . 37 ILE HG12 1 1 33 39645 1 1 37 ILE HG13 H 2.672 7.424 0.460 1.00 . A A . 37 ILE HG13 1 1 33 39646 1 1 37 ILE HG21 H 1.752 6.936 2.619 1.00 . A A . 37 ILE HG21 1 1 33 39647 1 1 37 ILE HG22 H 2.742 7.053 4.089 1.00 . A A . 37 ILE HG22 1 1 33 39648 1 1 37 ILE HG23 H 2.157 8.514 3.313 1.00 . A A . 37 ILE HG23 1 1 33 39649 1 1 37 ILE N N 6.035 8.573 2.058 1.00 . A A . 37 ILE N 1 1 33 39650 1 1 37 ILE O O 5.152 8.089 5.349 1.00 . A A . 37 ILE O 1 1 33 39651 1 1 38 ALA C C 5.321 4.664 5.541 1.00 . A A . 38 ALA C 1 1 33 39652 1 1 38 ALA CA C 6.486 5.507 5.026 1.00 . A A . 38 ALA CA 1 1 33 39653 1 1 38 ALA CB C 7.285 6.194 6.128 1.00 . A A . 38 ALA CB 1 1 33 39654 1 1 38 ALA H H 6.097 6.221 3.066 1.00 . A A . 38 ALA H 1 1 33 39655 1 1 38 ALA HA H 7.178 4.834 4.515 1.00 . A A . 38 ALA HA 1 1 33 39656 1 1 38 ALA HB1 H 6.631 6.740 6.805 1.00 . A A . 38 ALA HB1 1 1 33 39657 1 1 38 ALA HB2 H 7.839 5.443 6.692 1.00 . A A . 38 ALA HB2 1 1 33 39658 1 1 38 ALA HB3 H 7.972 6.883 5.648 1.00 . A A . 38 ALA HB3 1 1 33 39659 1 1 38 ALA N N 6.015 6.466 4.033 1.00 . A A . 38 ALA N 1 1 33 39660 1 1 38 ALA O O 4.861 4.791 6.677 1.00 . A A . 38 ALA O 1 1 33 39661 1 1 39 ILE C C 4.378 1.613 5.526 1.00 . A A . 39 ILE C 1 1 33 39662 1 1 39 ILE CA C 3.752 2.878 4.979 1.00 . A A . 39 ILE CA 1 1 33 39663 1 1 39 ILE CB C 2.840 2.674 3.781 1.00 . A A . 39 ILE CB 1 1 33 39664 1 1 39 ILE CD1 C 1.473 4.713 4.610 1.00 . A A . 39 ILE CD1 1 1 33 39665 1 1 39 ILE CG1 C 2.176 4.011 3.440 1.00 . A A . 39 ILE CG1 1 1 33 39666 1 1 39 ILE CG2 C 1.798 1.592 4.068 1.00 . A A . 39 ILE CG2 1 1 33 39667 1 1 39 ILE H H 5.257 3.715 3.755 1.00 . A A . 39 ILE H 1 1 33 39668 1 1 39 ILE HA H 3.136 3.267 5.790 1.00 . A A . 39 ILE HA 1 1 33 39669 1 1 39 ILE HB H 3.424 2.371 2.920 1.00 . A A . 39 ILE HB 1 1 33 39670 1 1 39 ILE HD11 H 0.773 5.454 4.226 1.00 . A A . 39 ILE HD11 1 1 33 39671 1 1 39 ILE HD12 H 0.926 4.004 5.223 1.00 . A A . 39 ILE HD12 1 1 33 39672 1 1 39 ILE HD13 H 2.206 5.216 5.237 1.00 . A A . 39 ILE HD13 1 1 33 39673 1 1 39 ILE HG12 H 2.915 4.687 3.016 1.00 . A A . 39 ILE HG12 1 1 33 39674 1 1 39 ILE HG13 H 1.453 3.790 2.676 1.00 . A A . 39 ILE HG13 1 1 33 39675 1 1 39 ILE HG21 H 1.045 1.585 3.291 1.00 . A A . 39 ILE HG21 1 1 33 39676 1 1 39 ILE HG22 H 2.249 0.602 4.082 1.00 . A A . 39 ILE HG22 1 1 33 39677 1 1 39 ILE HG23 H 1.336 1.787 5.031 1.00 . A A . 39 ILE HG23 1 1 33 39678 1 1 39 ILE N N 4.811 3.809 4.653 1.00 . A A . 39 ILE N 1 1 33 39679 1 1 39 ILE O O 4.522 0.594 4.859 1.00 . A A . 39 ILE O 1 1 33 39680 1 1 40 ASP C C 4.132 0.160 8.503 1.00 . A A . 40 ASP C 1 1 33 39681 1 1 40 ASP CA C 5.259 0.674 7.611 1.00 . A A . 40 ASP CA 1 1 33 39682 1 1 40 ASP CB C 6.377 1.166 8.547 1.00 . A A . 40 ASP CB 1 1 33 39683 1 1 40 ASP CG C 7.373 2.225 8.107 1.00 . A A . 40 ASP CG 1 1 33 39684 1 1 40 ASP H H 4.474 2.628 7.195 1.00 . A A . 40 ASP H 1 1 33 39685 1 1 40 ASP HA H 5.651 -0.127 6.984 1.00 . A A . 40 ASP HA 1 1 33 39686 1 1 40 ASP HB2 H 5.896 1.568 9.436 1.00 . A A . 40 ASP HB2 1 1 33 39687 1 1 40 ASP HB3 H 6.972 0.290 8.799 1.00 . A A . 40 ASP HB3 1 1 33 39688 1 1 40 ASP N N 4.714 1.735 6.796 1.00 . A A . 40 ASP N 1 1 33 39689 1 1 40 ASP O O 3.009 0.683 8.471 1.00 . A A . 40 ASP O 1 1 33 39690 1 1 40 ASP OD1 O 7.380 2.662 6.938 1.00 . A A . 40 ASP OD1 1 1 33 39691 1 1 40 ASP OD2 O 8.124 2.582 9.047 1.00 . A A . 40 ASP OD2 1 1 33 39692 1 1 41 LYS C C 3.109 0.084 11.178 1.00 . A A . 41 LYS C 1 1 33 39693 1 1 41 LYS CA C 3.888 -1.104 10.638 1.00 . A A . 41 LYS CA 1 1 33 39694 1 1 41 LYS CB C 4.969 -1.632 11.600 1.00 . A A . 41 LYS CB 1 1 33 39695 1 1 41 LYS CD C 6.167 0.389 12.732 1.00 . A A . 41 LYS CD 1 1 33 39696 1 1 41 LYS CE C 6.593 1.778 12.207 1.00 . A A . 41 LYS CE 1 1 33 39697 1 1 41 LYS CG C 6.250 -0.781 11.731 1.00 . A A . 41 LYS CG 1 1 33 39698 1 1 41 LYS H H 5.232 -1.444 9.137 1.00 . A A . 41 LYS H 1 1 33 39699 1 1 41 LYS HA H 3.196 -1.928 10.455 1.00 . A A . 41 LYS HA 1 1 33 39700 1 1 41 LYS HB2 H 4.532 -1.814 12.580 1.00 . A A . 41 LYS HB2 1 1 33 39701 1 1 41 LYS HB3 H 5.280 -2.604 11.207 1.00 . A A . 41 LYS HB3 1 1 33 39702 1 1 41 LYS HD2 H 5.143 0.477 13.101 1.00 . A A . 41 LYS HD2 1 1 33 39703 1 1 41 LYS HD3 H 6.787 0.134 13.594 1.00 . A A . 41 LYS HD3 1 1 33 39704 1 1 41 LYS HE2 H 5.816 2.198 11.571 1.00 . A A . 41 LYS HE2 1 1 33 39705 1 1 41 LYS HE3 H 6.685 2.433 13.075 1.00 . A A . 41 LYS HE3 1 1 33 39706 1 1 41 LYS HG2 H 7.033 -1.458 12.080 1.00 . A A . 41 LYS HG2 1 1 33 39707 1 1 41 LYS HG3 H 6.556 -0.443 10.750 1.00 . A A . 41 LYS HG3 1 1 33 39708 1 1 41 LYS HZ1 H 7.765 1.673 10.463 1.00 . A A . 41 LYS HZ1 1 1 33 39709 1 1 41 LYS HZ2 H 8.282 2.729 11.502 1.00 . A A . 41 LYS HZ2 1 1 33 39710 1 1 41 LYS HZ3 H 8.546 1.134 11.826 1.00 . A A . 41 LYS HZ3 1 1 33 39711 1 1 41 LYS N N 4.477 -0.805 9.365 1.00 . A A . 41 LYS N 1 1 33 39712 1 1 41 LYS NZ N 7.881 1.802 11.472 1.00 . A A . 41 LYS NZ 1 1 33 39713 1 1 41 LYS O O 3.547 1.236 11.175 1.00 . A A . 41 LYS O 1 1 33 39714 1 1 42 LYS C C 0.262 1.521 11.095 1.00 . A A . 42 LYS C 1 1 33 39715 1 1 42 LYS CA C 0.938 0.677 12.177 1.00 . A A . 42 LYS CA 1 1 33 39716 1 1 42 LYS CB C 1.617 1.501 13.279 1.00 . A A . 42 LYS CB 1 1 33 39717 1 1 42 LYS CD C -0.086 3.068 14.322 1.00 . A A . 42 LYS CD 1 1 33 39718 1 1 42 LYS CE C -0.772 3.400 15.655 1.00 . A A . 42 LYS CE 1 1 33 39719 1 1 42 LYS CG C 0.688 1.751 14.456 1.00 . A A . 42 LYS CG 1 1 33 39720 1 1 42 LYS H H 1.709 -1.218 11.624 1.00 . A A . 42 LYS H 1 1 33 39721 1 1 42 LYS HA H 0.172 0.034 12.612 1.00 . A A . 42 LYS HA 1 1 33 39722 1 1 42 LYS HB2 H 2.446 0.915 13.684 1.00 . A A . 42 LYS HB2 1 1 33 39723 1 1 42 LYS HB3 H 2.029 2.436 12.894 1.00 . A A . 42 LYS HB3 1 1 33 39724 1 1 42 LYS HD2 H 0.619 3.863 14.065 1.00 . A A . 42 LYS HD2 1 1 33 39725 1 1 42 LYS HD3 H -0.820 2.971 13.518 1.00 . A A . 42 LYS HD3 1 1 33 39726 1 1 42 LYS HE2 H -1.506 2.623 15.886 1.00 . A A . 42 LYS HE2 1 1 33 39727 1 1 42 LYS HE3 H -0.023 3.414 16.450 1.00 . A A . 42 LYS HE3 1 1 33 39728 1 1 42 LYS HG2 H 0.021 0.896 14.564 1.00 . A A . 42 LYS HG2 1 1 33 39729 1 1 42 LYS HG3 H 1.343 1.778 15.320 1.00 . A A . 42 LYS HG3 1 1 33 39730 1 1 42 LYS HZ1 H -2.169 4.724 14.924 1.00 . A A . 42 LYS HZ1 1 1 33 39731 1 1 42 LYS HZ2 H -1.866 4.900 16.529 1.00 . A A . 42 LYS HZ2 1 1 33 39732 1 1 42 LYS HZ3 H -0.775 5.446 15.430 1.00 . A A . 42 LYS HZ3 1 1 33 39733 1 1 42 LYS N N 1.903 -0.236 11.616 1.00 . A A . 42 LYS N 1 1 33 39734 1 1 42 LYS NZ N -1.446 4.715 15.628 1.00 . A A . 42 LYS NZ 1 1 33 39735 1 1 42 LYS O O -0.953 1.457 10.962 1.00 . A A . 42 LYS O 1 1 33 39736 1 1 43 SER C C -0.322 2.377 8.264 1.00 . A A . 43 SER C 1 1 33 39737 1 1 43 SER CA C 0.504 3.179 9.286 1.00 . A A . 43 SER CA 1 1 33 39738 1 1 43 SER CB C 1.674 3.941 8.645 1.00 . A A . 43 SER CB 1 1 33 39739 1 1 43 SER H H 2.033 2.220 10.472 1.00 . A A . 43 SER H 1 1 33 39740 1 1 43 SER HA H -0.153 3.909 9.761 1.00 . A A . 43 SER HA 1 1 33 39741 1 1 43 SER HB2 H 2.277 4.403 9.427 1.00 . A A . 43 SER HB2 1 1 33 39742 1 1 43 SER HB3 H 2.310 3.263 8.077 1.00 . A A . 43 SER HB3 1 1 33 39743 1 1 43 SER HG H 1.945 5.426 7.412 1.00 . A A . 43 SER HG 1 1 33 39744 1 1 43 SER N N 1.030 2.295 10.328 1.00 . A A . 43 SER N 1 1 33 39745 1 1 43 SER O O -1.523 2.596 8.084 1.00 . A A . 43 SER O 1 1 33 39746 1 1 43 SER OG O 1.194 4.967 7.802 1.00 . A A . 43 SER OG 1 1 33 39747 1 1 44 ALA C C -1.589 -0.163 7.336 1.00 . A A . 44 ALA C 1 1 33 39748 1 1 44 ALA CA C -0.236 0.332 6.837 1.00 . A A . 44 ALA CA 1 1 33 39749 1 1 44 ALA CB C 0.782 -0.802 6.809 1.00 . A A . 44 ALA CB 1 1 33 39750 1 1 44 ALA H H 1.334 1.344 7.777 1.00 . A A . 44 ALA H 1 1 33 39751 1 1 44 ALA HA H -0.377 0.676 5.823 1.00 . A A . 44 ALA HA 1 1 33 39752 1 1 44 ALA HB1 H 0.365 -1.620 6.226 1.00 . A A . 44 ALA HB1 1 1 33 39753 1 1 44 ALA HB2 H 1.711 -0.437 6.363 1.00 . A A . 44 ALA HB2 1 1 33 39754 1 1 44 ALA HB3 H 0.994 -1.151 7.820 1.00 . A A . 44 ALA HB3 1 1 33 39755 1 1 44 ALA N N 0.334 1.395 7.644 1.00 . A A . 44 ALA N 1 1 33 39756 1 1 44 ALA O O -2.574 -0.154 6.596 1.00 . A A . 44 ALA O 1 1 33 39757 1 1 45 HIS C C -3.612 -0.069 9.971 1.00 . A A . 45 HIS C 1 1 33 39758 1 1 45 HIS CA C -2.801 -1.151 9.243 1.00 . A A . 45 HIS CA 1 1 33 39759 1 1 45 HIS CB C -2.362 -2.306 10.157 1.00 . A A . 45 HIS CB 1 1 33 39760 1 1 45 HIS CD2 C -0.928 -4.050 8.888 1.00 . A A . 45 HIS CD2 1 1 33 39761 1 1 45 HIS CE1 C -2.460 -5.577 8.544 1.00 . A A . 45 HIS CE1 1 1 33 39762 1 1 45 HIS CG C -2.115 -3.590 9.402 1.00 . A A . 45 HIS CG 1 1 33 39763 1 1 45 HIS H H -0.783 -0.504 9.150 1.00 . A A . 45 HIS H 1 1 33 39764 1 1 45 HIS HA H -3.470 -1.569 8.488 1.00 . A A . 45 HIS HA 1 1 33 39765 1 1 45 HIS HB2 H -1.469 -2.024 10.718 1.00 . A A . 45 HIS HB2 1 1 33 39766 1 1 45 HIS HB3 H -3.151 -2.522 10.878 1.00 . A A . 45 HIS HB3 1 1 33 39767 1 1 45 HIS HD1 H -4.024 -4.528 9.482 1.00 . A A . 45 HIS HD1 1 1 33 39768 1 1 45 HIS HD2 H 0.026 -3.550 8.928 1.00 . A A . 45 HIS HD2 1 1 33 39769 1 1 45 HIS HE1 H -2.940 -6.499 8.268 1.00 . A A . 45 HIS HE1 1 1 33 39770 1 1 45 HIS N N -1.622 -0.596 8.597 1.00 . A A . 45 HIS N 1 1 33 39771 1 1 45 HIS ND1 N -3.065 -4.558 9.175 1.00 . A A . 45 HIS ND1 1 1 33 39772 1 1 45 HIS NE2 N -1.160 -5.320 8.345 1.00 . A A . 45 HIS NE2 1 1 33 39773 1 1 45 HIS O O -4.367 -0.380 10.890 1.00 . A A . 45 HIS O 1 1 33 39774 1 1 46 LYS C C -5.066 2.810 8.736 1.00 . A A . 46 LYS C 1 1 33 39775 1 1 46 LYS CA C -4.327 2.299 9.971 1.00 . A A . 46 LYS CA 1 1 33 39776 1 1 46 LYS CB C -3.444 3.350 10.674 1.00 . A A . 46 LYS CB 1 1 33 39777 1 1 46 LYS CD C -4.597 5.551 10.105 1.00 . A A . 46 LYS CD 1 1 33 39778 1 1 46 LYS CE C -4.985 6.946 10.606 1.00 . A A . 46 LYS CE 1 1 33 39779 1 1 46 LYS CG C -4.157 4.598 11.220 1.00 . A A . 46 LYS CG 1 1 33 39780 1 1 46 LYS H H -2.804 1.397 8.824 1.00 . A A . 46 LYS H 1 1 33 39781 1 1 46 LYS HA H -5.077 1.961 10.688 1.00 . A A . 46 LYS HA 1 1 33 39782 1 1 46 LYS HB2 H -2.994 2.851 11.533 1.00 . A A . 46 LYS HB2 1 1 33 39783 1 1 46 LYS HB3 H -2.640 3.670 10.016 1.00 . A A . 46 LYS HB3 1 1 33 39784 1 1 46 LYS HD2 H -3.790 5.642 9.374 1.00 . A A . 46 LYS HD2 1 1 33 39785 1 1 46 LYS HD3 H -5.479 5.125 9.630 1.00 . A A . 46 LYS HD3 1 1 33 39786 1 1 46 LYS HE2 H -5.723 6.844 11.403 1.00 . A A . 46 LYS HE2 1 1 33 39787 1 1 46 LYS HE3 H -4.103 7.456 10.999 1.00 . A A . 46 LYS HE3 1 1 33 39788 1 1 46 LYS HG2 H -5.016 4.295 11.818 1.00 . A A . 46 LYS HG2 1 1 33 39789 1 1 46 LYS HG3 H -3.442 5.120 11.854 1.00 . A A . 46 LYS HG3 1 1 33 39790 1 1 46 LYS HZ1 H -4.915 7.878 8.765 1.00 . A A . 46 LYS HZ1 1 1 33 39791 1 1 46 LYS HZ2 H -6.363 7.223 9.107 1.00 . A A . 46 LYS HZ2 1 1 33 39792 1 1 46 LYS HZ3 H -5.916 8.633 9.839 1.00 . A A . 46 LYS HZ3 1 1 33 39793 1 1 46 LYS N N -3.495 1.190 9.537 1.00 . A A . 46 LYS N 1 1 33 39794 1 1 46 LYS NZ N -5.579 7.741 9.511 1.00 . A A . 46 LYS NZ 1 1 33 39795 1 1 46 LYS O O -6.279 2.650 8.644 1.00 . A A . 46 LYS O 1 1 33 39796 1 1 47 ASP C C -3.751 4.012 5.544 1.00 . A A . 47 ASP C 1 1 33 39797 1 1 47 ASP CA C -4.885 3.960 6.554 1.00 . A A . 47 ASP CA 1 1 33 39798 1 1 47 ASP CB C -5.465 5.380 6.710 1.00 . A A . 47 ASP CB 1 1 33 39799 1 1 47 ASP CG C -6.914 5.428 7.161 1.00 . A A . 47 ASP CG 1 1 33 39800 1 1 47 ASP H H -3.326 3.415 7.899 1.00 . A A . 47 ASP H 1 1 33 39801 1 1 47 ASP HA H -5.664 3.300 6.168 1.00 . A A . 47 ASP HA 1 1 33 39802 1 1 47 ASP HB2 H -4.822 5.984 7.345 1.00 . A A . 47 ASP HB2 1 1 33 39803 1 1 47 ASP HB3 H -5.474 5.849 5.726 1.00 . A A . 47 ASP HB3 1 1 33 39804 1 1 47 ASP N N -4.338 3.422 7.796 1.00 . A A . 47 ASP N 1 1 33 39805 1 1 47 ASP O O -3.046 5.016 5.455 1.00 . A A . 47 ASP O 1 1 33 39806 1 1 47 ASP OD1 O -7.751 4.801 6.476 1.00 . A A . 47 ASP OD1 1 1 33 39807 1 1 47 ASP OD2 O -7.153 6.158 8.153 1.00 . A A . 47 ASP OD2 1 1 33 39808 1 1 48 ALA C C -3.140 1.972 2.579 1.00 . A A . 48 ALA C 1 1 33 39809 1 1 48 ALA CA C -2.679 2.970 3.637 1.00 . A A . 48 ALA CA 1 1 33 39810 1 1 48 ALA CB C -1.250 2.710 4.115 1.00 . A A . 48 ALA CB 1 1 33 39811 1 1 48 ALA H H -4.130 2.114 4.953 1.00 . A A . 48 ALA H 1 1 33 39812 1 1 48 ALA HA H -2.712 3.966 3.188 1.00 . A A . 48 ALA HA 1 1 33 39813 1 1 48 ALA HB1 H -1.033 1.649 4.119 1.00 . A A . 48 ALA HB1 1 1 33 39814 1 1 48 ALA HB2 H -0.575 3.200 3.419 1.00 . A A . 48 ALA HB2 1 1 33 39815 1 1 48 ALA HB3 H -1.076 3.087 5.127 1.00 . A A . 48 ALA HB3 1 1 33 39816 1 1 48 ALA N N -3.580 2.940 4.774 1.00 . A A . 48 ALA N 1 1 33 39817 1 1 48 ALA O O -3.593 2.354 1.505 1.00 . A A . 48 ALA O 1 1 33 39818 1 1 49 CYS C C -4.690 -0.972 2.227 1.00 . A A . 49 CYS C 1 1 33 39819 1 1 49 CYS CA C -3.293 -0.418 1.985 1.00 . A A . 49 CYS CA 1 1 33 39820 1 1 49 CYS CB C -2.237 -1.480 2.176 1.00 . A A . 49 CYS CB 1 1 33 39821 1 1 49 CYS H H -2.576 0.466 3.763 1.00 . A A . 49 CYS H 1 1 33 39822 1 1 49 CYS HA H -3.258 -0.074 0.957 1.00 . A A . 49 CYS HA 1 1 33 39823 1 1 49 CYS HB2 H -2.443 -2.025 3.087 1.00 . A A . 49 CYS HB2 1 1 33 39824 1 1 49 CYS HB3 H -2.268 -2.188 1.347 1.00 . A A . 49 CYS HB3 1 1 33 39825 1 1 49 CYS N N -3.036 0.683 2.898 1.00 . A A . 49 CYS N 1 1 33 39826 1 1 49 CYS O O -5.544 -0.968 1.338 1.00 . A A . 49 CYS O 1 1 33 39827 1 1 49 CYS SG S -0.565 -0.786 2.387 1.00 . A A . 49 CYS SG 1 1 33 39828 1 1 50 LYS C C -7.323 -1.181 4.067 1.00 . A A . 50 LYS C 1 1 33 39829 1 1 50 LYS CA C -6.133 -2.143 3.879 1.00 . A A . 50 LYS CA 1 1 33 39830 1 1 50 LYS CB C -5.769 -2.904 5.170 1.00 . A A . 50 LYS CB 1 1 33 39831 1 1 50 LYS CD C -6.098 -4.874 6.683 1.00 . A A . 50 LYS CD 1 1 33 39832 1 1 50 LYS CE C -6.743 -6.253 6.901 1.00 . A A . 50 LYS CE 1 1 33 39833 1 1 50 LYS CG C -6.673 -4.106 5.479 1.00 . A A . 50 LYS CG 1 1 33 39834 1 1 50 LYS H H -4.211 -1.302 4.154 1.00 . A A . 50 LYS H 1 1 33 39835 1 1 50 LYS HA H -6.364 -2.868 3.088 1.00 . A A . 50 LYS HA 1 1 33 39836 1 1 50 LYS HB2 H -4.753 -3.286 5.058 1.00 . A A . 50 LYS HB2 1 1 33 39837 1 1 50 LYS HB3 H -5.771 -2.213 6.015 1.00 . A A . 50 LYS HB3 1 1 33 39838 1 1 50 LYS HD2 H -5.033 -5.046 6.504 1.00 . A A . 50 LYS HD2 1 1 33 39839 1 1 50 LYS HD3 H -6.184 -4.258 7.581 1.00 . A A . 50 LYS HD3 1 1 33 39840 1 1 50 LYS HE2 H -6.636 -6.850 5.992 1.00 . A A . 50 LYS HE2 1 1 33 39841 1 1 50 LYS HE3 H -6.203 -6.765 7.701 1.00 . A A . 50 LYS HE3 1 1 33 39842 1 1 50 LYS HG2 H -7.682 -3.750 5.693 1.00 . A A . 50 LYS HG2 1 1 33 39843 1 1 50 LYS HG3 H -6.695 -4.758 4.604 1.00 . A A . 50 LYS HG3 1 1 33 39844 1 1 50 LYS HZ1 H -8.698 -5.727 6.535 1.00 . A A . 50 LYS HZ1 1 1 33 39845 1 1 50 LYS HZ2 H -8.536 -7.111 7.404 1.00 . A A . 50 LYS HZ2 1 1 33 39846 1 1 50 LYS HZ3 H -8.284 -5.657 8.129 1.00 . A A . 50 LYS HZ3 1 1 33 39847 1 1 50 LYS N N -4.942 -1.412 3.465 1.00 . A A . 50 LYS N 1 1 33 39848 1 1 50 LYS NZ N -8.171 -6.176 7.270 1.00 . A A . 50 LYS NZ 1 1 33 39849 1 1 50 LYS O O -8.085 -1.295 5.025 1.00 . A A . 50 LYS O 1 1 33 39850 1 1 51 THR C C -9.099 0.771 1.679 1.00 . A A . 51 THR C 1 1 33 39851 1 1 51 THR CA C -8.492 0.798 3.085 1.00 . A A . 51 THR CA 1 1 33 39852 1 1 51 THR CB C -7.937 2.143 3.604 1.00 . A A . 51 THR CB 1 1 33 39853 1 1 51 THR CG2 C -6.523 2.503 3.133 1.00 . A A . 51 THR CG2 1 1 33 39854 1 1 51 THR H H -6.859 -0.285 2.341 1.00 . A A . 51 THR H 1 1 33 39855 1 1 51 THR HA H -9.305 0.541 3.753 1.00 . A A . 51 THR HA 1 1 33 39856 1 1 51 THR HB H -7.887 2.067 4.693 1.00 . A A . 51 THR HB 1 1 33 39857 1 1 51 THR HG1 H -8.611 3.941 3.888 1.00 . A A . 51 THR HG1 1 1 33 39858 1 1 51 THR HG21 H -6.221 3.437 3.609 1.00 . A A . 51 THR HG21 1 1 33 39859 1 1 51 THR HG22 H -5.824 1.725 3.431 1.00 . A A . 51 THR HG22 1 1 33 39860 1 1 51 THR HG23 H -6.471 2.646 2.058 1.00 . A A . 51 THR HG23 1 1 33 39861 1 1 51 THR N N -7.480 -0.240 3.133 1.00 . A A . 51 THR N 1 1 33 39862 1 1 51 THR O O -10.158 0.170 1.500 1.00 . A A . 51 THR O 1 1 33 39863 1 1 51 THR OG1 O -8.819 3.200 3.305 1.00 . A A . 51 THR OG1 1 1 33 39864 1 1 52 CYS C C -9.024 -0.314 -1.107 1.00 . A A . 52 CYS C 1 1 33 39865 1 1 52 CYS CA C -8.829 1.157 -0.729 1.00 . A A . 52 CYS CA 1 1 33 39866 1 1 52 CYS CB C -7.730 1.767 -1.535 1.00 . A A . 52 CYS CB 1 1 33 39867 1 1 52 CYS H H -7.508 1.714 0.757 1.00 . A A . 52 CYS H 1 1 33 39868 1 1 52 CYS HA H -9.758 1.708 -0.888 1.00 . A A . 52 CYS HA 1 1 33 39869 1 1 52 CYS HB2 H -7.570 2.806 -1.247 1.00 . A A . 52 CYS HB2 1 1 33 39870 1 1 52 CYS HB3 H -6.829 1.188 -1.332 1.00 . A A . 52 CYS HB3 1 1 33 39871 1 1 52 CYS N N -8.410 1.277 0.652 1.00 . A A . 52 CYS N 1 1 33 39872 1 1 52 CYS O O -10.004 -0.688 -1.758 1.00 . A A . 52 CYS O 1 1 33 39873 1 1 52 CYS SG S -8.119 1.689 -3.284 1.00 . A A . 52 CYS SG 1 1 33 39874 1 1 53 HIS C C -9.563 -3.156 -0.427 1.00 . A A . 53 HIS C 1 1 33 39875 1 1 53 HIS CA C -8.212 -2.601 -0.904 1.00 . A A . 53 HIS CA 1 1 33 39876 1 1 53 HIS CB C -7.040 -3.351 -0.260 1.00 . A A . 53 HIS CB 1 1 33 39877 1 1 53 HIS CD2 C -5.144 -2.413 -1.760 1.00 . A A . 53 HIS CD2 1 1 33 39878 1 1 53 HIS CE1 C -4.199 -4.296 -2.336 1.00 . A A . 53 HIS CE1 1 1 33 39879 1 1 53 HIS CG C -5.797 -3.427 -1.113 1.00 . A A . 53 HIS CG 1 1 33 39880 1 1 53 HIS H H -7.299 -0.831 -0.146 1.00 . A A . 53 HIS H 1 1 33 39881 1 1 53 HIS HA H -8.164 -2.765 -1.983 1.00 . A A . 53 HIS HA 1 1 33 39882 1 1 53 HIS HB2 H -6.798 -2.937 0.714 1.00 . A A . 53 HIS HB2 1 1 33 39883 1 1 53 HIS HB3 H -7.371 -4.379 -0.110 1.00 . A A . 53 HIS HB3 1 1 33 39884 1 1 53 HIS HD1 H -5.396 -5.519 -1.137 1.00 . A A . 53 HIS HD1 1 1 33 39885 1 1 53 HIS HD2 H -5.364 -1.365 -1.711 1.00 . A A . 53 HIS HD2 1 1 33 39886 1 1 53 HIS HE1 H -3.561 -5.027 -2.809 1.00 . A A . 53 HIS HE1 1 1 33 39887 1 1 53 HIS N N -8.103 -1.174 -0.658 1.00 . A A . 53 HIS N 1 1 33 39888 1 1 53 HIS ND1 N -5.174 -4.596 -1.459 1.00 . A A . 53 HIS ND1 1 1 33 39889 1 1 53 HIS NE2 N -4.129 -2.972 -2.546 1.00 . A A . 53 HIS NE2 1 1 33 39890 1 1 53 HIS O O -10.033 -4.138 -0.991 1.00 . A A . 53 HIS O 1 1 33 39891 1 1 54 LYS C C -12.599 -2.671 -0.035 1.00 . A A . 54 LYS C 1 1 33 39892 1 1 54 LYS CA C -11.532 -2.995 1.014 1.00 . A A . 54 LYS CA 1 1 33 39893 1 1 54 LYS CB C -11.915 -2.346 2.347 1.00 . A A . 54 LYS CB 1 1 33 39894 1 1 54 LYS CD C -11.345 -2.183 4.809 1.00 . A A . 54 LYS CD 1 1 33 39895 1 1 54 LYS CE C -11.451 -0.662 5.017 1.00 . A A . 54 LYS CE 1 1 33 39896 1 1 54 LYS CG C -10.838 -2.570 3.416 1.00 . A A . 54 LYS CG 1 1 33 39897 1 1 54 LYS H H -9.855 -1.698 0.990 1.00 . A A . 54 LYS H 1 1 33 39898 1 1 54 LYS HA H -11.515 -4.077 1.158 1.00 . A A . 54 LYS HA 1 1 33 39899 1 1 54 LYS HB2 H -12.090 -1.282 2.192 1.00 . A A . 54 LYS HB2 1 1 33 39900 1 1 54 LYS HB3 H -12.852 -2.800 2.674 1.00 . A A . 54 LYS HB3 1 1 33 39901 1 1 54 LYS HD2 H -12.307 -2.674 4.959 1.00 . A A . 54 LYS HD2 1 1 33 39902 1 1 54 LYS HD3 H -10.624 -2.576 5.527 1.00 . A A . 54 LYS HD3 1 1 33 39903 1 1 54 LYS HE2 H -10.474 -0.293 5.329 1.00 . A A . 54 LYS HE2 1 1 33 39904 1 1 54 LYS HE3 H -11.737 -0.162 4.090 1.00 . A A . 54 LYS HE3 1 1 33 39905 1 1 54 LYS HG2 H -10.586 -3.632 3.422 1.00 . A A . 54 LYS HG2 1 1 33 39906 1 1 54 LYS HG3 H -9.940 -2.002 3.177 1.00 . A A . 54 LYS HG3 1 1 33 39907 1 1 54 LYS HZ1 H -12.168 -0.720 6.946 1.00 . A A . 54 LYS HZ1 1 1 33 39908 1 1 54 LYS HZ2 H -12.411 0.715 6.186 1.00 . A A . 54 LYS HZ2 1 1 33 39909 1 1 54 LYS HZ3 H -13.350 -0.577 5.802 1.00 . A A . 54 LYS HZ3 1 1 33 39910 1 1 54 LYS N N -10.208 -2.557 0.586 1.00 . A A . 54 LYS N 1 1 33 39911 1 1 54 LYS NZ N -12.418 -0.290 6.067 1.00 . A A . 54 LYS NZ 1 1 33 39912 1 1 54 LYS O O -13.552 -3.428 -0.186 1.00 . A A . 54 LYS O 1 1 33 39913 1 1 55 SER C C -13.390 -2.183 -2.878 1.00 . A A . 55 SER C 1 1 33 39914 1 1 55 SER CA C -13.396 -1.131 -1.771 1.00 . A A . 55 SER CA 1 1 33 39915 1 1 55 SER CB C -13.000 0.253 -2.311 1.00 . A A . 55 SER CB 1 1 33 39916 1 1 55 SER H H -11.585 -1.021 -0.651 1.00 . A A . 55 SER H 1 1 33 39917 1 1 55 SER HA H -14.395 -1.068 -1.336 1.00 . A A . 55 SER HA 1 1 33 39918 1 1 55 SER HB2 H -12.798 0.928 -1.479 1.00 . A A . 55 SER HB2 1 1 33 39919 1 1 55 SER HB3 H -12.103 0.177 -2.930 1.00 . A A . 55 SER HB3 1 1 33 39920 1 1 55 SER HG H -13.756 1.624 -3.484 1.00 . A A . 55 SER HG 1 1 33 39921 1 1 55 SER N N -12.454 -1.541 -0.736 1.00 . A A . 55 SER N 1 1 33 39922 1 1 55 SER O O -14.432 -2.637 -3.344 1.00 . A A . 55 SER O 1 1 33 39923 1 1 55 SER OG O -14.050 0.800 -3.084 1.00 . A A . 55 SER OG 1 1 33 39924 1 1 56 ASN C C -12.438 -4.961 -3.750 1.00 . A A . 56 ASN C 1 1 33 39925 1 1 56 ASN CA C -11.949 -3.609 -4.275 1.00 . A A . 56 ASN CA 1 1 33 39926 1 1 56 ASN CB C -10.459 -3.638 -4.642 1.00 . A A . 56 ASN CB 1 1 33 39927 1 1 56 ASN CG C -10.009 -2.325 -5.283 1.00 . A A . 56 ASN CG 1 1 33 39928 1 1 56 ASN H H -11.384 -2.163 -2.806 1.00 . A A . 56 ASN H 1 1 33 39929 1 1 56 ASN HA H -12.520 -3.362 -5.173 1.00 . A A . 56 ASN HA 1 1 33 39930 1 1 56 ASN HB2 H -9.853 -3.848 -3.761 1.00 . A A . 56 ASN HB2 1 1 33 39931 1 1 56 ASN HB3 H -10.301 -4.442 -5.363 1.00 . A A . 56 ASN HB3 1 1 33 39932 1 1 56 ASN HD21 H -9.686 -1.360 -3.474 1.00 . A A . 56 ASN HD21 1 1 33 39933 1 1 56 ASN HD22 H -9.372 -0.449 -4.924 1.00 . A A . 56 ASN HD22 1 1 33 39934 1 1 56 ASN N N -12.179 -2.582 -3.269 1.00 . A A . 56 ASN N 1 1 33 39935 1 1 56 ASN ND2 N -9.651 -1.314 -4.489 1.00 . A A . 56 ASN ND2 1 1 33 39936 1 1 56 ASN O O -13.170 -5.670 -4.436 1.00 . A A . 56 ASN O 1 1 33 39937 1 1 56 ASN OD1 O -9.996 -2.203 -6.502 1.00 . A A . 56 ASN OD1 1 1 33 39938 1 1 57 ASN C C -11.685 -7.714 -2.275 1.00 . A A . 57 ASN C 1 1 33 39939 1 1 57 ASN CA C -12.425 -6.474 -1.758 1.00 . A A . 57 ASN CA 1 1 33 39940 1 1 57 ASN CB C -13.955 -6.651 -1.726 1.00 . A A . 57 ASN CB 1 1 33 39941 1 1 57 ASN CG C -14.438 -7.539 -0.581 1.00 . A A . 57 ASN CG 1 1 33 39942 1 1 57 ASN H H -11.409 -4.651 -2.050 1.00 . A A . 57 ASN H 1 1 33 39943 1 1 57 ASN HA H -12.082 -6.282 -0.740 1.00 . A A . 57 ASN HA 1 1 33 39944 1 1 57 ASN HB2 H -14.422 -5.673 -1.602 1.00 . A A . 57 ASN HB2 1 1 33 39945 1 1 57 ASN HB3 H -14.294 -7.086 -2.667 1.00 . A A . 57 ASN HB3 1 1 33 39946 1 1 57 ASN HD21 H -16.374 -7.364 -1.177 1.00 . A A . 57 ASN HD21 1 1 33 39947 1 1 57 ASN HD22 H -16.087 -8.353 0.246 1.00 . A A . 57 ASN HD22 1 1 33 39948 1 1 57 ASN N N -12.052 -5.281 -2.510 1.00 . A A . 57 ASN N 1 1 33 39949 1 1 57 ASN ND2 N -15.744 -7.772 -0.502 1.00 . A A . 57 ASN ND2 1 1 33 39950 1 1 57 ASN O O -11.107 -7.697 -3.360 1.00 . A A . 57 ASN O 1 1 33 39951 1 1 57 ASN OD1 O -13.655 -8.017 0.236 1.00 . A A . 57 ASN OD1 1 1 33 39952 1 1 58 GLY C C -10.601 -10.802 -0.591 1.00 . A A . 58 GLY C 1 1 33 39953 1 1 58 GLY CA C -11.055 -10.058 -1.847 1.00 . A A . 58 GLY CA 1 1 33 39954 1 1 58 GLY H H -12.163 -8.746 -0.598 1.00 . A A . 58 GLY H 1 1 33 39955 1 1 58 GLY HA2 H -11.803 -10.665 -2.358 1.00 . A A . 58 GLY HA2 1 1 33 39956 1 1 58 GLY HA3 H -10.220 -9.914 -2.533 1.00 . A A . 58 GLY HA3 1 1 33 39957 1 1 58 GLY N N -11.672 -8.791 -1.486 1.00 . A A . 58 GLY N 1 1 33 39958 1 1 58 GLY O O -11.390 -11.548 -0.014 1.00 . A A . 58 GLY O 1 1 33 39959 1 1 59 PRO C C -9.360 -10.724 2.298 1.00 . A A . 59 PRO C 1 1 33 39960 1 1 59 PRO CA C -8.814 -11.319 1.007 1.00 . A A . 59 PRO CA 1 1 33 39961 1 1 59 PRO CB C -7.291 -11.183 0.897 1.00 . A A . 59 PRO CB 1 1 33 39962 1 1 59 PRO CD C -8.318 -9.797 -0.766 1.00 . A A . 59 PRO CD 1 1 33 39963 1 1 59 PRO CG C -7.135 -9.827 0.207 1.00 . A A . 59 PRO CG 1 1 33 39964 1 1 59 PRO HA H -9.139 -12.366 1.019 1.00 . A A . 59 PRO HA 1 1 33 39965 1 1 59 PRO HB2 H -6.778 -11.221 1.859 1.00 . A A . 59 PRO HB2 1 1 33 39966 1 1 59 PRO HB3 H -6.908 -11.966 0.241 1.00 . A A . 59 PRO HB3 1 1 33 39967 1 1 59 PRO HD2 H -8.663 -8.772 -0.918 1.00 . A A . 59 PRO HD2 1 1 33 39968 1 1 59 PRO HD3 H -8.011 -10.235 -1.718 1.00 . A A . 59 PRO HD3 1 1 33 39969 1 1 59 PRO HG2 H -7.252 -9.031 0.944 1.00 . A A . 59 PRO HG2 1 1 33 39970 1 1 59 PRO HG3 H -6.177 -9.729 -0.304 1.00 . A A . 59 PRO HG3 1 1 33 39971 1 1 59 PRO N N -9.342 -10.630 -0.157 1.00 . A A . 59 PRO N 1 1 33 39972 1 1 59 PRO O O -10.106 -9.748 2.301 1.00 . A A . 59 PRO O 1 1 33 39973 1 1 60 THR C C -9.394 -11.743 5.784 1.00 . A A . 60 THR C 1 1 33 39974 1 1 60 THR CA C -10.061 -11.663 4.408 1.00 . A A . 60 THR CA 1 1 33 39975 1 1 60 THR CB C -10.839 -12.910 3.940 1.00 . A A . 60 THR CB 1 1 33 39976 1 1 60 THR CG2 C -10.099 -14.249 4.030 1.00 . A A . 60 THR CG2 1 1 33 39977 1 1 60 THR H H -8.328 -12.113 3.318 1.00 . A A . 60 THR H 1 1 33 39978 1 1 60 THR HA H -10.762 -10.828 4.439 1.00 . A A . 60 THR HA 1 1 33 39979 1 1 60 THR HB H -11.075 -12.759 2.883 1.00 . A A . 60 THR HB 1 1 33 39980 1 1 60 THR HG1 H -12.724 -13.082 3.859 1.00 . A A . 60 THR HG1 1 1 33 39981 1 1 60 THR HG21 H -9.142 -14.198 3.511 1.00 . A A . 60 THR HG21 1 1 33 39982 1 1 60 THR HG22 H -9.951 -14.537 5.069 1.00 . A A . 60 THR HG22 1 1 33 39983 1 1 60 THR HG23 H -10.706 -15.017 3.549 1.00 . A A . 60 THR HG23 1 1 33 39984 1 1 60 THR N N -9.053 -11.417 3.395 1.00 . A A . 60 THR N 1 1 33 39985 1 1 60 THR O O -9.744 -10.987 6.689 1.00 . A A . 60 THR O 1 1 33 39986 1 1 60 THR OG1 O -12.083 -13.017 4.572 1.00 . A A . 60 THR OG1 1 1 33 39987 1 1 61 LYS C C -6.136 -11.862 6.421 1.00 . A A . 61 LYS C 1 1 33 39988 1 1 61 LYS CA C -7.397 -12.516 6.991 1.00 . A A . 61 LYS CA 1 1 33 39989 1 1 61 LYS CB C -7.163 -13.907 7.601 1.00 . A A . 61 LYS CB 1 1 33 39990 1 1 61 LYS CD C -8.126 -15.693 9.090 1.00 . A A . 61 LYS CD 1 1 33 39991 1 1 61 LYS CE C -9.367 -16.165 9.865 1.00 . A A . 61 LYS CE 1 1 33 39992 1 1 61 LYS CG C -8.428 -14.404 8.312 1.00 . A A . 61 LYS CG 1 1 33 39993 1 1 61 LYS H H -8.131 -13.177 5.128 1.00 . A A . 61 LYS H 1 1 33 39994 1 1 61 LYS HA H -7.752 -11.862 7.789 1.00 . A A . 61 LYS HA 1 1 33 39995 1 1 61 LYS HB2 H -6.887 -14.625 6.828 1.00 . A A . 61 LYS HB2 1 1 33 39996 1 1 61 LYS HB3 H -6.353 -13.833 8.329 1.00 . A A . 61 LYS HB3 1 1 33 39997 1 1 61 LYS HD2 H -7.806 -16.463 8.384 1.00 . A A . 61 LYS HD2 1 1 33 39998 1 1 61 LYS HD3 H -7.310 -15.493 9.788 1.00 . A A . 61 LYS HD3 1 1 33 39999 1 1 61 LYS HE2 H -9.704 -15.363 10.526 1.00 . A A . 61 LYS HE2 1 1 33 40000 1 1 61 LYS HE3 H -10.170 -16.387 9.158 1.00 . A A . 61 LYS HE3 1 1 33 40001 1 1 61 LYS HG2 H -8.772 -13.632 9.002 1.00 . A A . 61 LYS HG2 1 1 33 40002 1 1 61 LYS HG3 H -9.209 -14.580 7.570 1.00 . A A . 61 LYS HG3 1 1 33 40003 1 1 61 LYS HZ1 H -9.933 -17.643 11.175 1.00 . A A . 61 LYS HZ1 1 1 33 40004 1 1 61 LYS HZ2 H -8.799 -18.134 10.093 1.00 . A A . 61 LYS HZ2 1 1 33 40005 1 1 61 LYS HZ3 H -8.371 -17.175 11.360 1.00 . A A . 61 LYS HZ3 1 1 33 40006 1 1 61 LYS N N -8.368 -12.593 5.913 1.00 . A A . 61 LYS N 1 1 33 40007 1 1 61 LYS NZ N -9.094 -17.367 10.681 1.00 . A A . 61 LYS NZ 1 1 33 40008 1 1 61 LYS O O -6.103 -10.640 6.274 1.00 . A A . 61 LYS O 1 1 33 40009 1 1 62 CYS C C -3.610 -12.675 4.157 1.00 . A A . 62 CYS C 1 1 33 40010 1 1 62 CYS CA C -3.837 -12.179 5.586 1.00 . A A . 62 CYS CA 1 1 33 40011 1 1 62 CYS CB C -2.719 -12.575 6.531 1.00 . A A . 62 CYS CB 1 1 33 40012 1 1 62 CYS H H -5.223 -13.659 6.173 1.00 . A A . 62 CYS H 1 1 33 40013 1 1 62 CYS HA H -3.866 -11.102 5.511 1.00 . A A . 62 CYS HA 1 1 33 40014 1 1 62 CYS HB2 H -2.428 -13.605 6.321 1.00 . A A . 62 CYS HB2 1 1 33 40015 1 1 62 CYS HB3 H -1.858 -11.926 6.364 1.00 . A A . 62 CYS HB3 1 1 33 40016 1 1 62 CYS N N -5.119 -12.662 6.083 1.00 . A A . 62 CYS N 1 1 33 40017 1 1 62 CYS O O -4.564 -13.034 3.470 1.00 . A A . 62 CYS O 1 1 33 40018 1 1 62 CYS SG S -3.180 -12.510 8.291 1.00 . A A . 62 CYS SG 1 1 33 40019 1 1 63 GLY C C -1.781 -12.253 1.333 1.00 . A A . 63 GLY C 1 1 33 40020 1 1 63 GLY CA C -1.956 -13.292 2.435 1.00 . A A . 63 GLY CA 1 1 33 40021 1 1 63 GLY H H -1.627 -12.293 4.280 1.00 . A A . 63 GLY H 1 1 33 40022 1 1 63 GLY HA2 H -1.004 -13.802 2.586 1.00 . A A . 63 GLY HA2 1 1 33 40023 1 1 63 GLY HA3 H -2.690 -14.029 2.107 1.00 . A A . 63 GLY HA3 1 1 33 40024 1 1 63 GLY N N -2.354 -12.680 3.698 1.00 . A A . 63 GLY N 1 1 33 40025 1 1 63 GLY O O -0.852 -12.350 0.540 1.00 . A A . 63 GLY O 1 1 33 40026 1 1 64 GLY C C -1.315 -9.609 -0.007 1.00 . A A . 64 GLY C 1 1 33 40027 1 1 64 GLY CA C -2.695 -10.205 0.291 1.00 . A A . 64 GLY CA 1 1 33 40028 1 1 64 GLY H H -3.429 -11.294 1.964 1.00 . A A . 64 GLY H 1 1 33 40029 1 1 64 GLY HA2 H -3.138 -10.588 -0.627 1.00 . A A . 64 GLY HA2 1 1 33 40030 1 1 64 GLY HA3 H -3.327 -9.409 0.685 1.00 . A A . 64 GLY HA3 1 1 33 40031 1 1 64 GLY N N -2.670 -11.257 1.301 1.00 . A A . 64 GLY N 1 1 33 40032 1 1 64 GLY O O -0.910 -9.482 -1.158 1.00 . A A . 64 GLY O 1 1 33 40033 1 1 65 CYS C C 1.752 -8.783 1.500 1.00 . A A . 65 CYS C 1 1 33 40034 1 1 65 CYS CA C 0.448 -8.199 0.957 1.00 . A A . 65 CYS CA 1 1 33 40035 1 1 65 CYS CB C -0.001 -6.968 1.704 1.00 . A A . 65 CYS CB 1 1 33 40036 1 1 65 CYS H H -1.018 -9.356 1.957 1.00 . A A . 65 CYS H 1 1 33 40037 1 1 65 CYS HA H 0.619 -7.913 -0.082 1.00 . A A . 65 CYS HA 1 1 33 40038 1 1 65 CYS HB2 H 0.026 -7.212 2.763 1.00 . A A . 65 CYS HB2 1 1 33 40039 1 1 65 CYS HB3 H 0.674 -6.132 1.517 1.00 . A A . 65 CYS HB3 1 1 33 40040 1 1 65 CYS N N -0.621 -9.187 1.051 1.00 . A A . 65 CYS N 1 1 33 40041 1 1 65 CYS O O 2.791 -8.707 0.850 1.00 . A A . 65 CYS O 1 1 33 40042 1 1 65 CYS SG S -1.703 -6.531 1.187 1.00 . A A . 65 CYS SG 1 1 33 40043 1 1 66 HIS C C 3.037 -11.386 2.384 1.00 . A A . 66 HIS C 1 1 33 40044 1 1 66 HIS CA C 2.823 -10.141 3.231 1.00 . A A . 66 HIS CA 1 1 33 40045 1 1 66 HIS CB C 2.550 -10.557 4.680 1.00 . A A . 66 HIS CB 1 1 33 40046 1 1 66 HIS CD2 C 1.191 -8.861 6.025 1.00 . A A . 66 HIS CD2 1 1 33 40047 1 1 66 HIS CE1 C 2.806 -7.563 6.725 1.00 . A A . 66 HIS CE1 1 1 33 40048 1 1 66 HIS CG C 2.378 -9.386 5.597 1.00 . A A . 66 HIS CG 1 1 33 40049 1 1 66 HIS H H 0.825 -9.411 3.186 1.00 . A A . 66 HIS H 1 1 33 40050 1 1 66 HIS HA H 3.720 -9.519 3.207 1.00 . A A . 66 HIS HA 1 1 33 40051 1 1 66 HIS HB2 H 1.673 -11.203 4.714 1.00 . A A . 66 HIS HB2 1 1 33 40052 1 1 66 HIS HB3 H 3.392 -11.165 5.022 1.00 . A A . 66 HIS HB3 1 1 33 40053 1 1 66 HIS HD1 H 4.368 -8.616 5.835 1.00 . A A . 66 HIS HD1 1 1 33 40054 1 1 66 HIS HD2 H 0.192 -9.206 5.846 1.00 . A A . 66 HIS HD2 1 1 33 40055 1 1 66 HIS HE1 H 3.359 -6.756 7.182 1.00 . A A . 66 HIS HE1 1 1 33 40056 1 1 66 HIS N N 1.699 -9.391 2.690 1.00 . A A . 66 HIS N 1 1 33 40057 1 1 66 HIS ND1 N 3.384 -8.564 6.041 1.00 . A A . 66 HIS ND1 1 1 33 40058 1 1 66 HIS NE2 N 1.469 -7.701 6.736 1.00 . A A . 66 HIS NE2 1 1 33 40059 1 1 66 HIS O O 2.151 -12.241 2.326 1.00 . A A . 66 HIS O 1 1 33 40060 1 1 67 ILE C C 4.959 -13.801 1.892 1.00 . A A . 67 ILE C 1 1 33 40061 1 1 67 ILE CA C 4.518 -12.678 0.949 1.00 . A A . 67 ILE CA 1 1 33 40062 1 1 67 ILE CB C 5.538 -12.304 -0.145 1.00 . A A . 67 ILE CB 1 1 33 40063 1 1 67 ILE CD1 C 3.724 -11.164 -1.604 1.00 . A A . 67 ILE CD1 1 1 33 40064 1 1 67 ILE CG1 C 5.100 -11.051 -0.935 1.00 . A A . 67 ILE CG1 1 1 33 40065 1 1 67 ILE CG2 C 5.769 -13.479 -1.109 1.00 . A A . 67 ILE CG2 1 1 33 40066 1 1 67 ILE H H 4.937 -10.824 1.922 1.00 . A A . 67 ILE H 1 1 33 40067 1 1 67 ILE HA H 3.616 -13.020 0.440 1.00 . A A . 67 ILE HA 1 1 33 40068 1 1 67 ILE HB H 6.491 -12.064 0.330 1.00 . A A . 67 ILE HB 1 1 33 40069 1 1 67 ILE HD11 H 3.691 -12.011 -2.287 1.00 . A A . 67 ILE HD11 1 1 33 40070 1 1 67 ILE HD12 H 2.938 -11.267 -0.856 1.00 . A A . 67 ILE HD12 1 1 33 40071 1 1 67 ILE HD13 H 3.529 -10.256 -2.174 1.00 . A A . 67 ILE HD13 1 1 33 40072 1 1 67 ILE HG12 H 5.081 -10.185 -0.272 1.00 . A A . 67 ILE HG12 1 1 33 40073 1 1 67 ILE HG13 H 5.841 -10.852 -1.712 1.00 . A A . 67 ILE HG13 1 1 33 40074 1 1 67 ILE HG21 H 6.422 -13.166 -1.924 1.00 . A A . 67 ILE HG21 1 1 33 40075 1 1 67 ILE HG22 H 6.248 -14.309 -0.590 1.00 . A A . 67 ILE HG22 1 1 33 40076 1 1 67 ILE HG23 H 4.825 -13.830 -1.523 1.00 . A A . 67 ILE HG23 1 1 33 40077 1 1 67 ILE N N 4.208 -11.517 1.764 1.00 . A A . 67 ILE N 1 1 33 40078 1 1 67 ILE O O 6.142 -14.124 1.960 1.00 . A A . 67 ILE O 1 1 33 40079 1 1 68 LYS C C 3.657 -14.919 4.990 1.00 . A A . 68 LYS C 1 1 33 40080 1 1 68 LYS CA C 4.012 -15.444 3.588 1.00 . A A . 68 LYS CA 1 1 33 40081 1 1 68 LYS CB C 5.321 -16.263 3.526 1.00 . A A . 68 LYS CB 1 1 33 40082 1 1 68 LYS CD C 4.368 -18.641 3.763 1.00 . A A . 68 LYS CD 1 1 33 40083 1 1 68 LYS CE C 3.467 -19.224 4.862 1.00 . A A . 68 LYS CE 1 1 33 40084 1 1 68 LYS CG C 5.333 -17.577 4.320 1.00 . A A . 68 LYS CG 1 1 33 40085 1 1 68 LYS H H 3.079 -13.880 2.540 1.00 . A A . 68 LYS H 1 1 33 40086 1 1 68 LYS HA H 3.196 -16.102 3.294 1.00 . A A . 68 LYS HA 1 1 33 40087 1 1 68 LYS HB2 H 5.537 -16.519 2.487 1.00 . A A . 68 LYS HB2 1 1 33 40088 1 1 68 LYS HB3 H 6.132 -15.646 3.914 1.00 . A A . 68 LYS HB3 1 1 33 40089 1 1 68 LYS HD2 H 3.763 -18.239 2.950 1.00 . A A . 68 LYS HD2 1 1 33 40090 1 1 68 LYS HD3 H 4.964 -19.454 3.340 1.00 . A A . 68 LYS HD3 1 1 33 40091 1 1 68 LYS HE2 H 2.895 -20.057 4.447 1.00 . A A . 68 LYS HE2 1 1 33 40092 1 1 68 LYS HE3 H 4.095 -19.608 5.668 1.00 . A A . 68 LYS HE3 1 1 33 40093 1 1 68 LYS HG2 H 6.346 -17.979 4.252 1.00 . A A . 68 LYS HG2 1 1 33 40094 1 1 68 LYS HG3 H 5.154 -17.361 5.373 1.00 . A A . 68 LYS HG3 1 1 33 40095 1 1 68 LYS HZ1 H 3.025 -17.383 5.716 1.00 . A A . 68 LYS HZ1 1 1 33 40096 1 1 68 LYS HZ2 H 1.888 -17.905 4.688 1.00 . A A . 68 LYS HZ2 1 1 33 40097 1 1 68 LYS HZ3 H 2.009 -18.586 6.182 1.00 . A A . 68 LYS HZ3 1 1 33 40098 1 1 68 LYS N N 3.971 -14.359 2.608 1.00 . A A . 68 LYS N 1 1 33 40099 1 1 68 LYS NZ N 2.528 -18.218 5.400 1.00 . A A . 68 LYS NZ 1 1 33 40100 1 1 68 LYS O O 3.275 -15.771 5.828 1.00 . A A . 68 LYS O 1 1 33 40101 1 1 68 LYS OXT O 3.706 -13.687 5.207 1.00 . A A . 68 LYS OXT 1 1 33 40102 2 2 1 HEC C1A C 7.431 8.028 -3.446 1.00 . B A . 69 HEC C1A 1 1 33 40103 2 2 1 HEC C1B C 5.138 9.235 -6.805 1.00 . B A . 69 HEC C1B 1 1 33 40104 2 2 1 HEC C1C C 2.144 6.363 -5.758 1.00 . B A . 69 HEC C1C 1 1 33 40105 2 2 1 HEC C1D C 4.168 5.713 -2.066 1.00 . B A . 69 HEC C1D 1 1 33 40106 2 2 1 HEC C2A C 8.576 8.866 -3.710 1.00 . B A . 69 HEC C2A 1 1 33 40107 2 2 1 HEC C2B C 4.521 9.700 -8.020 1.00 . B A . 69 HEC C2B 1 1 33 40108 2 2 1 HEC C2C C 0.959 5.603 -5.434 1.00 . B A . 69 HEC C2C 1 1 33 40109 2 2 1 HEC C2D C 4.811 5.266 -0.853 1.00 . B A . 69 HEC C2D 1 1 33 40110 2 2 1 HEC C3A C 8.251 9.642 -4.794 1.00 . B A . 69 HEC C3A 1 1 33 40111 2 2 1 HEC C3B C 3.421 8.905 -8.246 1.00 . B A . 69 HEC C3B 1 1 33 40112 2 2 1 HEC C3C C 1.099 5.142 -4.140 1.00 . B A . 69 HEC C3C 1 1 33 40113 2 2 1 HEC C3D C 6.111 5.707 -0.901 1.00 . B A . 69 HEC C3D 1 1 33 40114 2 2 1 HEC C4A C 6.929 9.238 -5.217 1.00 . B A . 69 HEC C4A 1 1 33 40115 2 2 1 HEC C4B C 3.358 7.942 -7.161 1.00 . B A . 69 HEC C4B 1 1 33 40116 2 2 1 HEC C4C C 2.388 5.616 -3.678 1.00 . B A . 69 HEC C4C 1 1 33 40117 2 2 1 HEC C4D C 6.216 6.528 -2.075 1.00 . B A . 69 HEC C4D 1 1 33 40118 2 2 1 HEC CAA C 9.866 8.903 -2.915 1.00 . B A . 69 HEC CAA 1 1 33 40119 2 2 1 HEC CAB C 2.301 9.234 -9.208 1.00 . B A . 69 HEC CAB 1 1 33 40120 2 2 1 HEC CAC C 0.035 4.460 -3.282 1.00 . B A . 69 HEC CAC 1 1 33 40121 2 2 1 HEC CAD C 7.299 5.227 -0.097 1.00 . B A . 69 HEC CAD 1 1 33 40122 2 2 1 HEC CBA C 10.825 7.751 -3.250 1.00 . B A . 69 HEC CBA 1 1 33 40123 2 2 1 HEC CBB C 2.706 9.382 -10.682 1.00 . B A . 69 HEC CBB 1 1 33 40124 2 2 1 HEC CBC C -0.398 3.064 -3.742 1.00 . B A . 69 HEC CBC 1 1 33 40125 2 2 1 HEC CBD C 7.938 6.222 0.861 1.00 . B A . 69 HEC CBD 1 1 33 40126 2 2 1 HEC CGA C 11.428 7.864 -4.655 1.00 . B A . 69 HEC CGA 1 1 33 40127 2 2 1 HEC CGD C 9.391 5.891 1.228 1.00 . B A . 69 HEC CGD 1 1 33 40128 2 2 1 HEC CHA C 7.364 7.175 -2.387 1.00 . B A . 69 HEC CHA 1 1 33 40129 2 2 1 HEC CHB C 6.300 9.770 -6.303 1.00 . B A . 69 HEC CHB 1 1 33 40130 2 2 1 HEC CHC C 2.310 7.050 -6.950 1.00 . B A . 69 HEC CHC 1 1 33 40131 2 2 1 HEC CHD C 2.907 5.328 -2.429 1.00 . B A . 69 HEC CHD 1 1 33 40132 2 2 1 HEC CMA C 9.128 10.673 -5.467 1.00 . B A . 69 HEC CMA 1 1 33 40133 2 2 1 HEC CMB C 4.981 10.870 -8.867 1.00 . B A . 69 HEC CMB 1 1 33 40134 2 2 1 HEC CMC C -0.258 5.484 -6.318 1.00 . B A . 69 HEC CMC 1 1 33 40135 2 2 1 HEC CMD C 4.179 4.396 0.203 1.00 . B A . 69 HEC CMD 1 1 33 40136 2 2 1 HEC FE FE 4.674 7.327 -4.586 1.00 . B A . 69 HEC FE 1 1 33 40137 2 2 1 HEC HAA1 H 10.390 9.842 -3.085 1.00 . B A . 69 HEC HAA1 1 1 33 40138 2 2 1 HEC HAA2 H 9.628 8.852 -1.856 1.00 . B A . 69 HEC HAA2 1 1 33 40139 2 2 1 HEC HAB H 1.583 8.426 -9.195 1.00 . B A . 69 HEC HAB 1 1 33 40140 2 2 1 HEC HAC H 0.404 4.326 -2.270 1.00 . B A . 69 HEC HAC 1 1 33 40141 2 2 1 HEC HAD1 H 7.035 4.374 0.487 1.00 . B A . 69 HEC HAD1 1 1 33 40142 2 2 1 HEC HAD2 H 8.063 4.929 -0.807 1.00 . B A . 69 HEC HAD2 1 1 33 40143 2 2 1 HEC HBA1 H 11.639 7.756 -2.523 1.00 . B A . 69 HEC HBA1 1 1 33 40144 2 2 1 HEC HBA2 H 10.290 6.803 -3.153 1.00 . B A . 69 HEC HBA2 1 1 33 40145 2 2 1 HEC HBB1 H 3.234 10.313 -10.870 1.00 . B A . 69 HEC HBB1 1 1 33 40146 2 2 1 HEC HBB2 H 3.341 8.545 -10.973 1.00 . B A . 69 HEC HBB2 1 1 33 40147 2 2 1 HEC HBB3 H 1.812 9.366 -11.307 1.00 . B A . 69 HEC HBB3 1 1 33 40148 2 2 1 HEC HBC1 H -1.064 3.134 -4.595 1.00 . B A . 69 HEC HBC1 1 1 33 40149 2 2 1 HEC HBC2 H 0.471 2.461 -4.006 1.00 . B A . 69 HEC HBC2 1 1 33 40150 2 2 1 HEC HBC3 H -0.939 2.565 -2.939 1.00 . B A . 69 HEC HBC3 1 1 33 40151 2 2 1 HEC HBD1 H 7.896 7.199 0.401 1.00 . B A . 69 HEC HBD1 1 1 33 40152 2 2 1 HEC HBD2 H 7.354 6.221 1.772 1.00 . B A . 69 HEC HBD2 1 1 33 40153 2 2 1 HEC HHA H 8.197 7.063 -1.712 1.00 . B A . 69 HEC HHA 1 1 33 40154 2 2 1 HEC HHB H 6.777 10.589 -6.800 1.00 . B A . 69 HEC HHB 1 1 33 40155 2 2 1 HEC HHC H 1.528 6.966 -7.677 1.00 . B A . 69 HEC HHC 1 1 33 40156 2 2 1 HEC HHD H 2.356 4.704 -1.751 1.00 . B A . 69 HEC HHD 1 1 33 40157 2 2 1 HEC HMA1 H 9.074 10.560 -6.548 1.00 . B A . 69 HEC HMA1 1 1 33 40158 2 2 1 HEC HMA2 H 8.800 11.670 -5.174 1.00 . B A . 69 HEC HMA2 1 1 33 40159 2 2 1 HEC HMA3 H 10.170 10.540 -5.179 1.00 . B A . 69 HEC HMA3 1 1 33 40160 2 2 1 HEC HMB1 H 4.118 11.432 -9.217 1.00 . B A . 69 HEC HMB1 1 1 33 40161 2 2 1 HEC HMB2 H 5.584 11.567 -8.292 1.00 . B A . 69 HEC HMB2 1 1 33 40162 2 2 1 HEC HMB3 H 5.554 10.502 -9.716 1.00 . B A . 69 HEC HMB3 1 1 33 40163 2 2 1 HEC HMC1 H -0.583 6.481 -6.613 1.00 . B A . 69 HEC HMC1 1 1 33 40164 2 2 1 HEC HMC2 H 0.009 4.904 -7.196 1.00 . B A . 69 HEC HMC2 1 1 33 40165 2 2 1 HEC HMC3 H -1.078 4.997 -5.799 1.00 . B A . 69 HEC HMC3 1 1 33 40166 2 2 1 HEC HMD1 H 3.926 3.447 -0.259 1.00 . B A . 69 HEC HMD1 1 1 33 40167 2 2 1 HEC HMD2 H 4.851 4.226 1.040 1.00 . B A . 69 HEC HMD2 1 1 33 40168 2 2 1 HEC HMD3 H 3.266 4.868 0.562 1.00 . B A . 69 HEC HMD3 1 1 33 40169 2 2 1 HEC NA N 6.475 8.275 -4.389 1.00 . B A . 69 HEC NA 1 1 33 40170 2 2 1 HEC NB N 4.398 8.201 -6.322 1.00 . B A . 69 HEC NB 1 1 33 40171 2 2 1 HEC NC N 2.962 6.346 -4.683 1.00 . B A . 69 HEC NC 1 1 33 40172 2 2 1 HEC ND N 5.042 6.487 -2.751 1.00 . B A . 69 HEC ND 1 1 33 40173 2 2 1 HEC O1A O 12.035 8.918 -4.942 1.00 . B A . 69 HEC O1A 1 1 33 40174 2 2 1 HEC O1D O 9.721 6.025 2.431 1.00 . B A . 69 HEC O1D 1 1 33 40175 2 2 1 HEC O2A O 11.266 6.895 -5.434 1.00 . B A . 69 HEC O2A 1 1 33 40176 2 2 1 HEC O2D O 10.161 5.570 0.302 1.00 . B A . 69 HEC O2D 1 1 33 40177 3 2 1 HEC C1A C -2.185 -4.560 -5.259 1.00 . C A . 70 HEC C1A 1 1 33 40178 3 2 1 HEC C1B C -0.758 -2.657 -1.729 1.00 . C A . 70 HEC C1B 1 1 33 40179 3 2 1 HEC C1C C -3.456 0.605 -2.362 1.00 . C A . 70 HEC C1C 1 1 33 40180 3 2 1 HEC C1D C -5.152 -1.584 -5.559 1.00 . C A . 70 HEC C1D 1 1 33 40181 3 2 1 HEC C2A C -1.379 -5.753 -5.149 1.00 . C A . 70 HEC C2A 1 1 33 40182 3 2 1 HEC C2B C -0.120 -2.109 -0.560 1.00 . C A . 70 HEC C2B 1 1 33 40183 3 2 1 HEC C2C C -4.394 1.709 -2.429 1.00 . C A . 70 HEC C2C 1 1 33 40184 3 2 1 HEC C2D C -5.721 -1.982 -6.816 1.00 . C A . 70 HEC C2D 1 1 33 40185 3 2 1 HEC C3A C -0.667 -5.655 -3.976 1.00 . C A . 70 HEC C3A 1 1 33 40186 3 2 1 HEC C3B C -0.660 -0.861 -0.347 1.00 . C A . 70 HEC C3B 1 1 33 40187 3 2 1 HEC C3C C -5.326 1.379 -3.388 1.00 . C A . 70 HEC C3C 1 1 33 40188 3 2 1 HEC C3D C -4.986 -3.060 -7.247 1.00 . C A . 70 HEC C3D 1 1 33 40189 3 2 1 HEC C4A C -1.001 -4.382 -3.383 1.00 . C A . 70 HEC C4A 1 1 33 40190 3 2 1 HEC C4B C -1.647 -0.640 -1.382 1.00 . C A . 70 HEC C4B 1 1 33 40191 3 2 1 HEC C4C C -4.934 0.096 -3.907 1.00 . C A . 70 HEC C4C 1 1 33 40192 3 2 1 HEC C4D C -3.960 -3.292 -6.250 1.00 . C A . 70 HEC C4D 1 1 33 40193 3 2 1 HEC CAA C -1.470 -6.969 -6.045 1.00 . C A . 70 HEC CAA 1 1 33 40194 3 2 1 HEC CAB C -0.340 0.072 0.805 1.00 . C A . 70 HEC CAB 1 1 33 40195 3 2 1 HEC CAC C -6.508 2.172 -3.933 1.00 . C A . 70 HEC CAC 1 1 33 40196 3 2 1 HEC CAD C -5.192 -3.837 -8.529 1.00 . C A . 70 HEC CAD 1 1 33 40197 3 2 1 HEC CBA C -2.784 -7.752 -5.873 1.00 . C A . 70 HEC CBA 1 1 33 40198 3 2 1 HEC CBB C 1.053 0.690 0.696 1.00 . C A . 70 HEC CBB 1 1 33 40199 3 2 1 HEC CBC C -6.376 3.670 -4.144 1.00 . C A . 70 HEC CBC 1 1 33 40200 3 2 1 HEC CBD C -5.921 -5.175 -8.350 1.00 . C A . 70 HEC CBD 1 1 33 40201 3 2 1 HEC CGA C -3.061 -8.191 -4.425 1.00 . C A . 70 HEC CGA 1 1 33 40202 3 2 1 HEC CGD C -6.054 -5.917 -9.687 1.00 . C A . 70 HEC CGD 1 1 33 40203 3 2 1 HEC CHA C -3.066 -4.329 -6.291 1.00 . C A . 70 HEC CHA 1 1 33 40204 3 2 1 HEC CHB C -0.450 -3.906 -2.220 1.00 . C A . 70 HEC CHB 1 1 33 40205 3 2 1 HEC CHC C -2.442 0.493 -1.442 1.00 . C A . 70 HEC CHC 1 1 33 40206 3 2 1 HEC CHD C -5.637 -0.525 -4.881 1.00 . C A . 70 HEC CHD 1 1 33 40207 3 2 1 HEC CMA C 0.280 -6.688 -3.408 1.00 . C A . 70 HEC CMA 1 1 33 40208 3 2 1 HEC CMB C 0.885 -2.835 0.306 1.00 . C A . 70 HEC CMB 1 1 33 40209 3 2 1 HEC CMC C -4.405 2.923 -1.531 1.00 . C A . 70 HEC CMC 1 1 33 40210 3 2 1 HEC CMD C -6.766 -1.186 -7.579 1.00 . C A . 70 HEC CMD 1 1 33 40211 3 2 1 HEC FE FE -2.824 -2.045 -3.723 1.00 . C A . 70 HEC FE 1 1 33 40212 3 2 1 HEC HAA1 H -1.384 -6.648 -7.082 1.00 . C A . 70 HEC HAA1 1 1 33 40213 3 2 1 HEC HAA2 H -0.640 -7.643 -5.843 1.00 . C A . 70 HEC HAA2 1 1 33 40214 3 2 1 HEC HAB H -1.024 0.910 0.830 1.00 . C A . 70 HEC HAB 1 1 33 40215 3 2 1 HEC HAC H -6.585 1.865 -4.953 1.00 . C A . 70 HEC HAC 1 1 33 40216 3 2 1 HEC HAD1 H -5.765 -3.247 -9.240 1.00 . C A . 70 HEC HAD1 1 1 33 40217 3 2 1 HEC HAD2 H -4.219 -4.035 -8.979 1.00 . C A . 70 HEC HAD2 1 1 33 40218 3 2 1 HEC HBA1 H -3.617 -7.138 -6.214 1.00 . C A . 70 HEC HBA1 1 1 33 40219 3 2 1 HEC HBA2 H -2.736 -8.630 -6.519 1.00 . C A . 70 HEC HBA2 1 1 33 40220 3 2 1 HEC HBB1 H 1.767 0.088 1.250 1.00 . C A . 70 HEC HBB1 1 1 33 40221 3 2 1 HEC HBB2 H 1.358 0.753 -0.349 1.00 . C A . 70 HEC HBB2 1 1 33 40222 3 2 1 HEC HBB3 H 1.055 1.700 1.103 1.00 . C A . 70 HEC HBB3 1 1 33 40223 3 2 1 HEC HBC1 H -5.325 3.935 -4.213 1.00 . C A . 70 HEC HBC1 1 1 33 40224 3 2 1 HEC HBC2 H -6.861 3.871 -5.106 1.00 . C A . 70 HEC HBC2 1 1 33 40225 3 2 1 HEC HBC3 H -6.865 4.231 -3.351 1.00 . C A . 70 HEC HBC3 1 1 33 40226 3 2 1 HEC HBD1 H -5.367 -5.799 -7.648 1.00 . C A . 70 HEC HBD1 1 1 33 40227 3 2 1 HEC HBD2 H -6.911 -4.977 -7.931 1.00 . C A . 70 HEC HBD2 1 1 33 40228 3 2 1 HEC HHA H -3.141 -5.046 -7.089 1.00 . C A . 70 HEC HHA 1 1 33 40229 3 2 1 HEC HHB H 0.270 -4.509 -1.697 1.00 . C A . 70 HEC HHB 1 1 33 40230 3 2 1 HEC HHC H -2.351 1.244 -0.673 1.00 . C A . 70 HEC HHC 1 1 33 40231 3 2 1 HEC HHD H -6.588 -0.139 -5.171 1.00 . C A . 70 HEC HHD 1 1 33 40232 3 2 1 HEC HMA1 H -0.012 -7.687 -3.728 1.00 . C A . 70 HEC HMA1 1 1 33 40233 3 2 1 HEC HMA2 H 1.296 -6.473 -3.741 1.00 . C A . 70 HEC HMA2 1 1 33 40234 3 2 1 HEC HMA3 H 0.236 -6.681 -2.321 1.00 . C A . 70 HEC HMA3 1 1 33 40235 3 2 1 HEC HMB1 H 0.345 -3.544 0.934 1.00 . C A . 70 HEC HMB1 1 1 33 40236 3 2 1 HEC HMB2 H 1.607 -3.376 -0.301 1.00 . C A . 70 HEC HMB2 1 1 33 40237 3 2 1 HEC HMB3 H 1.419 -2.128 0.931 1.00 . C A . 70 HEC HMB3 1 1 33 40238 3 2 1 HEC HMC1 H -3.389 3.299 -1.401 1.00 . C A . 70 HEC HMC1 1 1 33 40239 3 2 1 HEC HMC2 H -5.013 3.721 -1.945 1.00 . C A . 70 HEC HMC2 1 1 33 40240 3 2 1 HEC HMC3 H -4.815 2.643 -0.565 1.00 . C A . 70 HEC HMC3 1 1 33 40241 3 2 1 HEC HMD1 H -7.742 -1.646 -7.440 1.00 . C A . 70 HEC HMD1 1 1 33 40242 3 2 1 HEC HMD2 H -6.811 -0.144 -7.231 1.00 . C A . 70 HEC HMD2 1 1 33 40243 3 2 1 HEC HMD3 H -6.521 -1.166 -8.638 1.00 . C A . 70 HEC HMD3 1 1 33 40244 3 2 1 HEC NA N -1.927 -3.773 -4.166 1.00 . C A . 70 HEC NA 1 1 33 40245 3 2 1 HEC NB N -1.654 -1.743 -2.191 1.00 . C A . 70 HEC NB 1 1 33 40246 3 2 1 HEC NC N -3.802 -0.303 -3.303 1.00 . C A . 70 HEC NC 1 1 33 40247 3 2 1 HEC ND N -4.075 -2.333 -5.293 1.00 . C A . 70 HEC ND 1 1 33 40248 3 2 1 HEC O1A O -3.454 -7.318 -3.615 1.00 . C A . 70 HEC O1A 1 1 33 40249 3 2 1 HEC O1D O -5.045 -5.941 -10.427 1.00 . C A . 70 HEC O1D 1 1 33 40250 3 2 1 HEC O2A O -2.893 -9.401 -4.153 1.00 . C A . 70 HEC O2A 1 1 33 40251 3 2 1 HEC O2D O -7.164 -6.424 -9.961 1.00 . C A . 70 HEC O2D 1 1 33 40252 4 2 1 HEC C1A C 2.294 -5.503 9.371 1.00 . D A . 71 HEC C1A 1 1 33 40253 4 2 1 HEC C1B C -0.502 -8.746 9.517 1.00 . D A . 71 HEC C1B 1 1 33 40254 4 2 1 HEC C1C C -2.042 -7.586 5.713 1.00 . D A . 71 HEC C1C 1 1 33 40255 4 2 1 HEC C1D C 0.891 -4.532 5.447 1.00 . D A . 71 HEC C1D 1 1 33 40256 4 2 1 HEC C2A C 2.994 -5.851 10.588 1.00 . D A . 71 HEC C2A 1 1 33 40257 4 2 1 HEC C2B C -1.370 -9.884 9.710 1.00 . D A . 71 HEC C2B 1 1 33 40258 4 2 1 HEC C2C C -2.647 -7.345 4.424 1.00 . D A . 71 HEC C2C 1 1 33 40259 4 2 1 HEC C2D C 1.855 -3.499 5.172 1.00 . D A . 71 HEC C2D 1 1 33 40260 4 2 1 HEC C3A C 2.283 -6.871 11.169 1.00 . D A . 71 HEC C3A 1 1 33 40261 4 2 1 HEC C3B C -2.243 -9.915 8.647 1.00 . D A . 71 HEC C3B 1 1 33 40262 4 2 1 HEC C3C C -2.047 -6.226 3.902 1.00 . D A . 71 HEC C3C 1 1 33 40263 4 2 1 HEC C3D C 2.658 -3.406 6.272 1.00 . D A . 71 HEC C3D 1 1 33 40264 4 2 1 HEC C4A C 1.269 -7.279 10.230 1.00 . D A . 71 HEC C4A 1 1 33 40265 4 2 1 HEC C4B C -1.823 -8.870 7.737 1.00 . D A . 71 HEC C4B 1 1 33 40266 4 2 1 HEC C4C C -0.987 -5.870 4.823 1.00 . D A . 71 HEC C4C 1 1 33 40267 4 2 1 HEC C4D C 2.161 -4.341 7.256 1.00 . D A . 71 HEC C4D 1 1 33 40268 4 2 1 HEC CAA C 4.447 -5.538 10.900 1.00 . D A . 71 HEC CAA 1 1 33 40269 4 2 1 HEC CAB C -3.515 -10.744 8.549 1.00 . D A . 71 HEC CAB 1 1 33 40270 4 2 1 HEC CAC C -2.343 -5.547 2.568 1.00 . D A . 71 HEC CAC 1 1 33 40271 4 2 1 HEC CAD C 3.798 -2.440 6.407 1.00 . D A . 71 HEC CAD 1 1 33 40272 4 2 1 HEC CBA C 5.300 -6.766 10.564 1.00 . D A . 71 HEC CBA 1 1 33 40273 4 2 1 HEC CBB C -4.448 -10.585 9.754 1.00 . D A . 71 HEC CBB 1 1 33 40274 4 2 1 HEC CBC C -3.816 -5.204 2.311 1.00 . D A . 71 HEC CBC 1 1 33 40275 4 2 1 HEC CBD C 5.192 -3.053 6.250 1.00 . D A . 71 HEC CBD 1 1 33 40276 4 2 1 HEC CGA C 6.817 -6.588 10.607 1.00 . D A . 71 HEC CGA 1 1 33 40277 4 2 1 HEC CGD C 5.630 -3.702 7.556 1.00 . D A . 71 HEC CGD 1 1 33 40278 4 2 1 HEC CHA C 2.687 -4.503 8.517 1.00 . D A . 71 HEC CHA 1 1 33 40279 4 2 1 HEC CHB C 0.451 -8.367 10.434 1.00 . D A . 71 HEC CHB 1 1 33 40280 4 2 1 HEC CHC C -2.430 -8.612 6.525 1.00 . D A . 71 HEC CHC 1 1 33 40281 4 2 1 HEC CHD C -0.088 -4.876 4.566 1.00 . D A . 71 HEC CHD 1 1 33 40282 4 2 1 HEC CMA C 2.580 -7.517 12.503 1.00 . D A . 71 HEC CMA 1 1 33 40283 4 2 1 HEC CMB C -1.322 -10.844 10.878 1.00 . D A . 71 HEC CMB 1 1 33 40284 4 2 1 HEC CMC C -3.686 -8.225 3.767 1.00 . D A . 71 HEC CMC 1 1 33 40285 4 2 1 HEC CMD C 1.941 -2.593 3.963 1.00 . D A . 71 HEC CMD 1 1 33 40286 4 2 1 HEC FE FE 0.151 -6.555 7.582 1.00 . D A . 71 HEC FE 1 1 33 40287 4 2 1 HEC HAA1 H 4.831 -4.723 10.288 1.00 . D A . 71 HEC HAA1 1 1 33 40288 4 2 1 HEC HAA2 H 4.588 -5.274 11.947 1.00 . D A . 71 HEC HAA2 1 1 33 40289 4 2 1 HEC HAB H -4.104 -10.386 7.715 1.00 . D A . 71 HEC HAB 1 1 33 40290 4 2 1 HEC HAC H -1.844 -4.585 2.523 1.00 . D A . 71 HEC HAC 1 1 33 40291 4 2 1 HEC HAD1 H 3.700 -1.636 5.682 1.00 . D A . 71 HEC HAD1 1 1 33 40292 4 2 1 HEC HAD2 H 3.702 -2.023 7.394 1.00 . D A . 71 HEC HAD2 1 1 33 40293 4 2 1 HEC HBA1 H 5.038 -7.562 11.260 1.00 . D A . 71 HEC HBA1 1 1 33 40294 4 2 1 HEC HBA2 H 5.032 -7.072 9.553 1.00 . D A . 71 HEC HBA2 1 1 33 40295 4 2 1 HEC HBB1 H -4.649 -9.526 9.919 1.00 . D A . 71 HEC HBB1 1 1 33 40296 4 2 1 HEC HBB2 H -5.391 -11.091 9.546 1.00 . D A . 71 HEC HBB2 1 1 33 40297 4 2 1 HEC HBB3 H -4.014 -11.013 10.655 1.00 . D A . 71 HEC HBB3 1 1 33 40298 4 2 1 HEC HBC1 H -4.213 -4.639 3.152 1.00 . D A . 71 HEC HBC1 1 1 33 40299 4 2 1 HEC HBC2 H -3.883 -4.588 1.412 1.00 . D A . 71 HEC HBC2 1 1 33 40300 4 2 1 HEC HBC3 H -4.420 -6.094 2.156 1.00 . D A . 71 HEC HBC3 1 1 33 40301 4 2 1 HEC HBD1 H 5.191 -3.770 5.429 1.00 . D A . 71 HEC HBD1 1 1 33 40302 4 2 1 HEC HBD2 H 5.893 -2.254 6.019 1.00 . D A . 71 HEC HBD2 1 1 33 40303 4 2 1 HEC HHA H 3.507 -3.883 8.818 1.00 . D A . 71 HEC HHA 1 1 33 40304 4 2 1 HEC HHB H 0.555 -8.924 11.344 1.00 . D A . 71 HEC HHB 1 1 33 40305 4 2 1 HEC HHC H -3.230 -9.227 6.174 1.00 . D A . 71 HEC HHC 1 1 33 40306 4 2 1 HEC HHD H -0.124 -4.373 3.622 1.00 . D A . 71 HEC HHD 1 1 33 40307 4 2 1 HEC HMA1 H 3.239 -6.876 13.086 1.00 . D A . 71 HEC HMA1 1 1 33 40308 4 2 1 HEC HMA2 H 1.655 -7.665 13.059 1.00 . D A . 71 HEC HMA2 1 1 33 40309 4 2 1 HEC HMA3 H 3.072 -8.476 12.339 1.00 . D A . 71 HEC HMA3 1 1 33 40310 4 2 1 HEC HMB1 H -0.288 -11.080 11.124 1.00 . D A . 71 HEC HMB1 1 1 33 40311 4 2 1 HEC HMB2 H -1.805 -10.387 11.741 1.00 . D A . 71 HEC HMB2 1 1 33 40312 4 2 1 HEC HMB3 H -1.829 -11.774 10.625 1.00 . D A . 71 HEC HMB3 1 1 33 40313 4 2 1 HEC HMC1 H -4.672 -7.993 4.167 1.00 . D A . 71 HEC HMC1 1 1 33 40314 4 2 1 HEC HMC2 H -3.675 -8.076 2.690 1.00 . D A . 71 HEC HMC2 1 1 33 40315 4 2 1 HEC HMC3 H -3.457 -9.274 3.952 1.00 . D A . 71 HEC HMC3 1 1 33 40316 4 2 1 HEC HMD1 H 2.984 -2.483 3.676 1.00 . D A . 71 HEC HMD1 1 1 33 40317 4 2 1 HEC HMD2 H 1.389 -2.979 3.115 1.00 . D A . 71 HEC HMD2 1 1 33 40318 4 2 1 HEC HMD3 H 1.545 -1.614 4.214 1.00 . D A . 71 HEC HMD3 1 1 33 40319 4 2 1 HEC NA N 1.297 -6.425 9.182 1.00 . D A . 71 HEC NA 1 1 33 40320 4 2 1 HEC NB N -0.797 -8.182 8.319 1.00 . D A . 71 HEC NB 1 1 33 40321 4 2 1 HEC NC N -1.056 -6.690 5.912 1.00 . D A . 71 HEC NC 1 1 33 40322 4 2 1 HEC ND N 1.125 -5.020 6.699 1.00 . D A . 71 HEC ND 1 1 33 40323 4 2 1 HEC O1A O 7.481 -7.332 9.842 1.00 . D A . 71 HEC O1A 1 1 33 40324 4 2 1 HEC O1D O 5.867 -2.927 8.514 1.00 . D A . 71 HEC O1D 1 1 33 40325 4 2 1 HEC O2A O 7.298 -5.804 11.452 1.00 . D A . 71 HEC O2A 1 1 33 40326 4 2 1 HEC O2D O 5.571 -4.949 7.621 1.00 . D A . 71 HEC O2D 1 1 34 40327 1 1 1 ALA C C 9.529 1.865 -9.681 1.00 . A A . 1 ALA C 1 1 34 40328 1 1 1 ALA CA C 11.023 2.012 -9.428 1.00 . A A . 1 ALA CA 1 1 34 40329 1 1 1 ALA CB C 11.511 0.981 -8.407 1.00 . A A . 1 ALA CB 1 1 34 40330 1 1 1 ALA H1 H 10.479 3.570 -8.303 1.00 . A A . 1 ALA H1 1 1 34 40331 1 1 1 ALA H2 H 12.140 3.487 -8.496 1.00 . A A . 1 ALA H2 1 1 34 40332 1 1 1 ALA H3 H 11.150 4.027 -9.716 1.00 . A A . 1 ALA H3 1 1 34 40333 1 1 1 ALA HA H 11.573 1.870 -10.360 1.00 . A A . 1 ALA HA 1 1 34 40334 1 1 1 ALA HB1 H 12.568 1.140 -8.189 1.00 . A A . 1 ALA HB1 1 1 34 40335 1 1 1 ALA HB2 H 10.936 1.063 -7.484 1.00 . A A . 1 ALA HB2 1 1 34 40336 1 1 1 ALA HB3 H 11.388 -0.021 -8.819 1.00 . A A . 1 ALA HB3 1 1 34 40337 1 1 1 ALA N N 11.243 3.385 -8.945 1.00 . A A . 1 ALA N 1 1 34 40338 1 1 1 ALA O O 8.775 2.672 -9.141 1.00 . A A . 1 ALA O 1 1 34 40339 1 1 2 ASP C C 7.106 -0.224 -9.752 1.00 . A A . 2 ASP C 1 1 34 40340 1 1 2 ASP CA C 7.740 0.636 -10.852 1.00 . A A . 2 ASP CA 1 1 34 40341 1 1 2 ASP CB C 7.738 -0.039 -12.237 1.00 . A A . 2 ASP CB 1 1 34 40342 1 1 2 ASP CG C 8.421 -1.399 -12.249 1.00 . A A . 2 ASP CG 1 1 34 40343 1 1 2 ASP H H 9.738 0.168 -10.851 1.00 . A A . 2 ASP H 1 1 34 40344 1 1 2 ASP HA H 7.206 1.585 -10.925 1.00 . A A . 2 ASP HA 1 1 34 40345 1 1 2 ASP HB2 H 6.723 -0.183 -12.586 1.00 . A A . 2 ASP HB2 1 1 34 40346 1 1 2 ASP HB3 H 8.250 0.605 -12.952 1.00 . A A . 2 ASP HB3 1 1 34 40347 1 1 2 ASP N N 9.117 0.897 -10.498 1.00 . A A . 2 ASP N 1 1 34 40348 1 1 2 ASP O O 6.046 0.116 -9.231 1.00 . A A . 2 ASP O 1 1 34 40349 1 1 2 ASP OD1 O 9.425 -1.520 -11.507 1.00 . A A . 2 ASP OD1 1 1 34 40350 1 1 2 ASP OD2 O 7.910 -2.281 -12.968 1.00 . A A . 2 ASP OD2 1 1 34 40351 1 1 3 VAL C C 8.658 -1.935 -7.214 1.00 . A A . 3 VAL C 1 1 34 40352 1 1 3 VAL CA C 7.497 -2.126 -8.197 1.00 . A A . 3 VAL CA 1 1 34 40353 1 1 3 VAL CB C 7.332 -3.584 -8.671 1.00 . A A . 3 VAL CB 1 1 34 40354 1 1 3 VAL CG1 C 7.334 -4.612 -7.530 1.00 . A A . 3 VAL CG1 1 1 34 40355 1 1 3 VAL CG2 C 6.020 -3.726 -9.456 1.00 . A A . 3 VAL CG2 1 1 34 40356 1 1 3 VAL H H 8.634 -1.516 -9.892 1.00 . A A . 3 VAL H 1 1 34 40357 1 1 3 VAL HA H 6.576 -1.798 -7.717 1.00 . A A . 3 VAL HA 1 1 34 40358 1 1 3 VAL HB H 8.160 -3.832 -9.337 1.00 . A A . 3 VAL HB 1 1 34 40359 1 1 3 VAL HG11 H 8.295 -4.613 -7.016 1.00 . A A . 3 VAL HG11 1 1 34 40360 1 1 3 VAL HG12 H 6.540 -4.394 -6.819 1.00 . A A . 3 VAL HG12 1 1 34 40361 1 1 3 VAL HG13 H 7.170 -5.608 -7.942 1.00 . A A . 3 VAL HG13 1 1 34 40362 1 1 3 VAL HG21 H 5.170 -3.510 -8.807 1.00 . A A . 3 VAL HG21 1 1 34 40363 1 1 3 VAL HG22 H 6.003 -3.039 -10.302 1.00 . A A . 3 VAL HG22 1 1 34 40364 1 1 3 VAL HG23 H 5.923 -4.743 -9.834 1.00 . A A . 3 VAL HG23 1 1 34 40365 1 1 3 VAL N N 7.788 -1.298 -9.361 1.00 . A A . 3 VAL N 1 1 34 40366 1 1 3 VAL O O 9.771 -1.631 -7.643 1.00 . A A . 3 VAL O 1 1 34 40367 1 1 4 VAL C C 9.027 -2.892 -3.733 1.00 . A A . 4 VAL C 1 1 34 40368 1 1 4 VAL CA C 9.511 -2.076 -4.922 1.00 . A A . 4 VAL CA 1 1 34 40369 1 1 4 VAL CB C 9.911 -0.630 -4.545 1.00 . A A . 4 VAL CB 1 1 34 40370 1 1 4 VAL CG1 C 8.867 0.067 -3.666 1.00 . A A . 4 VAL CG1 1 1 34 40371 1 1 4 VAL CG2 C 11.267 -0.549 -3.828 1.00 . A A . 4 VAL CG2 1 1 34 40372 1 1 4 VAL H H 7.525 -2.386 -5.545 1.00 . A A . 4 VAL H 1 1 34 40373 1 1 4 VAL HA H 10.373 -2.590 -5.351 1.00 . A A . 4 VAL HA 1 1 34 40374 1 1 4 VAL HB H 10.013 -0.063 -5.471 1.00 . A A . 4 VAL HB 1 1 34 40375 1 1 4 VAL HG11 H 8.710 -0.490 -2.735 1.00 . A A . 4 VAL HG11 1 1 34 40376 1 1 4 VAL HG12 H 9.210 1.071 -3.414 1.00 . A A . 4 VAL HG12 1 1 34 40377 1 1 4 VAL HG13 H 7.934 0.150 -4.219 1.00 . A A . 4 VAL HG13 1 1 34 40378 1 1 4 VAL HG21 H 11.665 0.460 -3.932 1.00 . A A . 4 VAL HG21 1 1 34 40379 1 1 4 VAL HG22 H 11.159 -0.754 -2.762 1.00 . A A . 4 VAL HG22 1 1 34 40380 1 1 4 VAL HG23 H 11.973 -1.253 -4.267 1.00 . A A . 4 VAL HG23 1 1 34 40381 1 1 4 VAL N N 8.432 -2.082 -5.904 1.00 . A A . 4 VAL N 1 1 34 40382 1 1 4 VAL O O 7.909 -3.413 -3.749 1.00 . A A . 4 VAL O 1 1 34 40383 1 1 5 THR C C 10.163 -3.023 -0.269 1.00 . A A . 5 THR C 1 1 34 40384 1 1 5 THR CA C 9.356 -3.531 -1.441 1.00 . A A . 5 THR CA 1 1 34 40385 1 1 5 THR CB C 9.435 -5.069 -1.543 1.00 . A A . 5 THR CB 1 1 34 40386 1 1 5 THR CG2 C 10.866 -5.605 -1.669 1.00 . A A . 5 THR CG2 1 1 34 40387 1 1 5 THR H H 10.759 -2.582 -2.667 1.00 . A A . 5 THR H 1 1 34 40388 1 1 5 THR HA H 8.352 -3.113 -1.236 1.00 . A A . 5 THR HA 1 1 34 40389 1 1 5 THR HB H 8.875 -5.402 -2.411 1.00 . A A . 5 THR HB 1 1 34 40390 1 1 5 THR HG1 H 7.986 -5.182 -0.360 1.00 . A A . 5 THR HG1 1 1 34 40391 1 1 5 THR HG21 H 11.349 -5.198 -2.558 1.00 . A A . 5 THR HG21 1 1 34 40392 1 1 5 THR HG22 H 11.458 -5.345 -0.791 1.00 . A A . 5 THR HG22 1 1 34 40393 1 1 5 THR HG23 H 10.838 -6.692 -1.754 1.00 . A A . 5 THR HG23 1 1 34 40394 1 1 5 THR N N 9.828 -2.971 -2.676 1.00 . A A . 5 THR N 1 1 34 40395 1 1 5 THR O O 11.227 -2.428 -0.423 1.00 . A A . 5 THR O 1 1 34 40396 1 1 5 THR OG1 O 8.826 -5.642 -0.424 1.00 . A A . 5 THR OG1 1 1 34 40397 1 1 6 TYR C C 10.019 -4.425 2.901 1.00 . A A . 6 TYR C 1 1 34 40398 1 1 6 TYR CA C 10.098 -3.074 2.208 1.00 . A A . 6 TYR CA 1 1 34 40399 1 1 6 TYR CB C 9.286 -2.006 2.943 1.00 . A A . 6 TYR CB 1 1 34 40400 1 1 6 TYR CD1 C 9.332 -0.231 1.134 1.00 . A A . 6 TYR CD1 1 1 34 40401 1 1 6 TYR CD2 C 10.243 0.299 3.324 1.00 . A A . 6 TYR CD2 1 1 34 40402 1 1 6 TYR CE1 C 9.720 1.028 0.656 1.00 . A A . 6 TYR CE1 1 1 34 40403 1 1 6 TYR CE2 C 10.628 1.561 2.847 1.00 . A A . 6 TYR CE2 1 1 34 40404 1 1 6 TYR CG C 9.605 -0.607 2.462 1.00 . A A . 6 TYR CG 1 1 34 40405 1 1 6 TYR CZ C 10.427 1.901 1.501 1.00 . A A . 6 TYR CZ 1 1 34 40406 1 1 6 TYR H H 8.674 -3.744 0.813 1.00 . A A . 6 TYR H 1 1 34 40407 1 1 6 TYR HA H 11.137 -2.751 2.160 1.00 . A A . 6 TYR HA 1 1 34 40408 1 1 6 TYR HB2 H 8.219 -2.197 2.820 1.00 . A A . 6 TYR HB2 1 1 34 40409 1 1 6 TYR HB3 H 9.515 -2.078 4.009 1.00 . A A . 6 TYR HB3 1 1 34 40410 1 1 6 TYR HD1 H 8.738 -0.863 0.494 1.00 . A A . 6 TYR HD1 1 1 34 40411 1 1 6 TYR HD2 H 10.410 0.048 4.361 1.00 . A A . 6 TYR HD2 1 1 34 40412 1 1 6 TYR HE1 H 9.314 1.355 -0.292 1.00 . A A . 6 TYR HE1 1 1 34 40413 1 1 6 TYR HE2 H 10.968 2.306 3.547 1.00 . A A . 6 TYR HE2 1 1 34 40414 1 1 6 TYR HH H 10.199 3.740 1.743 1.00 . A A . 6 TYR HH 1 1 34 40415 1 1 6 TYR N N 9.558 -3.263 0.887 1.00 . A A . 6 TYR N 1 1 34 40416 1 1 6 TYR O O 8.919 -4.905 3.190 1.00 . A A . 6 TYR O 1 1 34 40417 1 1 6 TYR OH O 10.676 3.181 1.111 1.00 . A A . 6 TYR OH 1 1 34 40418 1 1 7 GLU C C 11.381 -5.802 5.421 1.00 . A A . 7 GLU C 1 1 34 40419 1 1 7 GLU CA C 11.399 -6.198 3.944 1.00 . A A . 7 GLU CA 1 1 34 40420 1 1 7 GLU CB C 12.728 -6.862 3.564 1.00 . A A . 7 GLU CB 1 1 34 40421 1 1 7 GLU CD C 13.455 -6.121 1.204 1.00 . A A . 7 GLU CD 1 1 34 40422 1 1 7 GLU CG C 12.817 -7.210 2.067 1.00 . A A . 7 GLU CG 1 1 34 40423 1 1 7 GLU H H 12.000 -4.687 2.608 1.00 . A A . 7 GLU H 1 1 34 40424 1 1 7 GLU HA H 10.600 -6.901 3.765 1.00 . A A . 7 GLU HA 1 1 34 40425 1 1 7 GLU HB2 H 13.555 -6.204 3.833 1.00 . A A . 7 GLU HB2 1 1 34 40426 1 1 7 GLU HB3 H 12.824 -7.779 4.146 1.00 . A A . 7 GLU HB3 1 1 34 40427 1 1 7 GLU HG2 H 13.436 -8.101 1.960 1.00 . A A . 7 GLU HG2 1 1 34 40428 1 1 7 GLU HG3 H 11.829 -7.429 1.667 1.00 . A A . 7 GLU HG3 1 1 34 40429 1 1 7 GLU N N 11.181 -5.036 3.111 1.00 . A A . 7 GLU N 1 1 34 40430 1 1 7 GLU O O 12.124 -4.915 5.835 1.00 . A A . 7 GLU O 1 1 34 40431 1 1 7 GLU OE1 O 13.336 -4.936 1.583 1.00 . A A . 7 GLU OE1 1 1 34 40432 1 1 7 GLU OE2 O 14.038 -6.502 0.168 1.00 . A A . 7 GLU OE2 1 1 34 40433 1 1 8 ASN C C 10.598 -7.371 8.449 1.00 . A A . 8 ASN C 1 1 34 40434 1 1 8 ASN CA C 10.282 -6.131 7.611 1.00 . A A . 8 ASN CA 1 1 34 40435 1 1 8 ASN CB C 8.843 -5.610 7.792 1.00 . A A . 8 ASN CB 1 1 34 40436 1 1 8 ASN CG C 8.438 -4.711 6.630 1.00 . A A . 8 ASN CG 1 1 34 40437 1 1 8 ASN H H 9.930 -7.172 5.799 1.00 . A A . 8 ASN H 1 1 34 40438 1 1 8 ASN HA H 10.953 -5.340 7.944 1.00 . A A . 8 ASN HA 1 1 34 40439 1 1 8 ASN HB2 H 8.146 -6.448 7.834 1.00 . A A . 8 ASN HB2 1 1 34 40440 1 1 8 ASN HB3 H 8.767 -5.044 8.722 1.00 . A A . 8 ASN HB3 1 1 34 40441 1 1 8 ASN HD21 H 7.773 -6.331 5.612 1.00 . A A . 8 ASN HD21 1 1 34 40442 1 1 8 ASN HD22 H 7.823 -4.820 4.726 1.00 . A A . 8 ASN HD22 1 1 34 40443 1 1 8 ASN N N 10.523 -6.458 6.208 1.00 . A A . 8 ASN N 1 1 34 40444 1 1 8 ASN ND2 N 7.844 -5.320 5.609 1.00 . A A . 8 ASN ND2 1 1 34 40445 1 1 8 ASN O O 11.461 -8.161 8.069 1.00 . A A . 8 ASN O 1 1 34 40446 1 1 8 ASN OD1 O 8.748 -3.528 6.582 1.00 . A A . 8 ASN OD1 1 1 34 40447 1 1 9 LYS C C 9.055 -9.798 9.956 1.00 . A A . 9 LYS C 1 1 34 40448 1 1 9 LYS CA C 10.066 -8.745 10.415 1.00 . A A . 9 LYS CA 1 1 34 40449 1 1 9 LYS CB C 9.843 -8.332 11.881 1.00 . A A . 9 LYS CB 1 1 34 40450 1 1 9 LYS CD C 12.239 -8.558 12.788 1.00 . A A . 9 LYS CD 1 1 34 40451 1 1 9 LYS CE C 12.401 -7.152 13.394 1.00 . A A . 9 LYS CE 1 1 34 40452 1 1 9 LYS CG C 10.783 -9.062 12.847 1.00 . A A . 9 LYS CG 1 1 34 40453 1 1 9 LYS H H 9.123 -6.959 9.810 1.00 . A A . 9 LYS H 1 1 34 40454 1 1 9 LYS HA H 11.066 -9.159 10.291 1.00 . A A . 9 LYS HA 1 1 34 40455 1 1 9 LYS HB2 H 9.961 -7.256 11.990 1.00 . A A . 9 LYS HB2 1 1 34 40456 1 1 9 LYS HB3 H 8.813 -8.556 12.160 1.00 . A A . 9 LYS HB3 1 1 34 40457 1 1 9 LYS HD2 H 12.853 -9.262 13.352 1.00 . A A . 9 LYS HD2 1 1 34 40458 1 1 9 LYS HD3 H 12.584 -8.561 11.754 1.00 . A A . 9 LYS HD3 1 1 34 40459 1 1 9 LYS HE2 H 11.730 -6.445 12.904 1.00 . A A . 9 LYS HE2 1 1 34 40460 1 1 9 LYS HE3 H 12.144 -7.187 14.455 1.00 . A A . 9 LYS HE3 1 1 34 40461 1 1 9 LYS HG2 H 10.393 -8.941 13.859 1.00 . A A . 9 LYS HG2 1 1 34 40462 1 1 9 LYS HG3 H 10.747 -10.125 12.600 1.00 . A A . 9 LYS HG3 1 1 34 40463 1 1 9 LYS HZ1 H 13.842 -5.717 13.660 1.00 . A A . 9 LYS HZ1 1 1 34 40464 1 1 9 LYS HZ2 H 14.440 -7.249 13.688 1.00 . A A . 9 LYS HZ2 1 1 34 40465 1 1 9 LYS HZ3 H 14.006 -6.554 12.258 1.00 . A A . 9 LYS HZ3 1 1 34 40466 1 1 9 LYS N N 9.916 -7.566 9.577 1.00 . A A . 9 LYS N 1 1 34 40467 1 1 9 LYS NZ N 13.776 -6.634 13.238 1.00 . A A . 9 LYS NZ 1 1 34 40468 1 1 9 LYS O O 9.397 -10.957 9.735 1.00 . A A . 9 LYS O 1 1 34 40469 1 1 10 LYS C C 6.968 -10.711 7.946 1.00 . A A . 10 LYS C 1 1 34 40470 1 1 10 LYS CA C 6.674 -10.140 9.331 1.00 . A A . 10 LYS CA 1 1 34 40471 1 1 10 LYS CB C 5.446 -9.213 9.346 1.00 . A A . 10 LYS CB 1 1 34 40472 1 1 10 LYS CD C 3.292 -10.690 9.119 1.00 . A A . 10 LYS CD 1 1 34 40473 1 1 10 LYS CE C 3.792 -12.141 9.123 1.00 . A A . 10 LYS CE 1 1 34 40474 1 1 10 LYS CG C 4.217 -9.616 8.522 1.00 . A A . 10 LYS CG 1 1 34 40475 1 1 10 LYS H H 7.633 -8.389 10.044 1.00 . A A . 10 LYS H 1 1 34 40476 1 1 10 LYS HA H 6.511 -10.962 10.026 1.00 . A A . 10 LYS HA 1 1 34 40477 1 1 10 LYS HB2 H 5.145 -9.041 10.381 1.00 . A A . 10 LYS HB2 1 1 34 40478 1 1 10 LYS HB3 H 5.762 -8.254 8.932 1.00 . A A . 10 LYS HB3 1 1 34 40479 1 1 10 LYS HD2 H 3.068 -10.409 10.147 1.00 . A A . 10 LYS HD2 1 1 34 40480 1 1 10 LYS HD3 H 2.358 -10.655 8.554 1.00 . A A . 10 LYS HD3 1 1 34 40481 1 1 10 LYS HE2 H 4.632 -12.234 9.809 1.00 . A A . 10 LYS HE2 1 1 34 40482 1 1 10 LYS HE3 H 2.985 -12.778 9.482 1.00 . A A . 10 LYS HE3 1 1 34 40483 1 1 10 LYS HG2 H 3.623 -8.696 8.482 1.00 . A A . 10 LYS HG2 1 1 34 40484 1 1 10 LYS HG3 H 4.501 -9.860 7.501 1.00 . A A . 10 LYS HG3 1 1 34 40485 1 1 10 LYS HZ1 H 3.597 -12.438 7.004 1.00 . A A . 10 LYS HZ1 1 1 34 40486 1 1 10 LYS HZ2 H 5.129 -12.281 7.552 1.00 . A A . 10 LYS HZ2 1 1 34 40487 1 1 10 LYS HZ3 H 4.307 -13.646 7.732 1.00 . A A . 10 LYS HZ3 1 1 34 40488 1 1 10 LYS N N 7.804 -9.367 9.803 1.00 . A A . 10 LYS N 1 1 34 40489 1 1 10 LYS NZ N 4.213 -12.629 7.796 1.00 . A A . 10 LYS NZ 1 1 34 40490 1 1 10 LYS O O 6.765 -11.903 7.720 1.00 . A A . 10 LYS O 1 1 34 40491 1 1 11 GLY C C 7.963 -9.120 4.759 1.00 . A A . 11 GLY C 1 1 34 40492 1 1 11 GLY CA C 7.585 -10.314 5.622 1.00 . A A . 11 GLY CA 1 1 34 40493 1 1 11 GLY H H 7.507 -8.895 7.177 1.00 . A A . 11 GLY H 1 1 34 40494 1 1 11 GLY HA2 H 8.396 -11.043 5.600 1.00 . A A . 11 GLY HA2 1 1 34 40495 1 1 11 GLY HA3 H 6.673 -10.770 5.232 1.00 . A A . 11 GLY HA3 1 1 34 40496 1 1 11 GLY N N 7.357 -9.874 6.984 1.00 . A A . 11 GLY N 1 1 34 40497 1 1 11 GLY O O 8.330 -8.066 5.284 1.00 . A A . 11 GLY O 1 1 34 40498 1 1 12 ASN C C 6.924 -7.714 1.894 1.00 . A A . 12 ASN C 1 1 34 40499 1 1 12 ASN CA C 8.220 -8.285 2.448 1.00 . A A . 12 ASN CA 1 1 34 40500 1 1 12 ASN CB C 9.071 -8.900 1.320 1.00 . A A . 12 ASN CB 1 1 34 40501 1 1 12 ASN CG C 10.156 -9.870 1.789 1.00 . A A . 12 ASN CG 1 1 34 40502 1 1 12 ASN H H 7.500 -10.166 3.089 1.00 . A A . 12 ASN H 1 1 34 40503 1 1 12 ASN HA H 8.788 -7.482 2.906 1.00 . A A . 12 ASN HA 1 1 34 40504 1 1 12 ASN HB2 H 8.424 -9.449 0.638 1.00 . A A . 12 ASN HB2 1 1 34 40505 1 1 12 ASN HB3 H 9.541 -8.092 0.757 1.00 . A A . 12 ASN HB3 1 1 34 40506 1 1 12 ASN HD21 H 10.447 -8.856 3.515 1.00 . A A . 12 ASN HD21 1 1 34 40507 1 1 12 ASN HD22 H 11.471 -10.261 3.272 1.00 . A A . 12 ASN HD22 1 1 34 40508 1 1 12 ASN N N 7.858 -9.289 3.440 1.00 . A A . 12 ASN N 1 1 34 40509 1 1 12 ASN ND2 N 10.730 -9.650 2.968 1.00 . A A . 12 ASN ND2 1 1 34 40510 1 1 12 ASN O O 6.091 -8.489 1.436 1.00 . A A . 12 ASN O 1 1 34 40511 1 1 12 ASN OD1 O 10.457 -10.845 1.109 1.00 . A A . 12 ASN OD1 1 1 34 40512 1 1 13 VAL C C 5.650 -5.420 0.047 1.00 . A A . 13 VAL C 1 1 34 40513 1 1 13 VAL CA C 5.499 -5.750 1.529 1.00 . A A . 13 VAL CA 1 1 34 40514 1 1 13 VAL CB C 5.279 -4.462 2.341 1.00 . A A . 13 VAL CB 1 1 34 40515 1 1 13 VAL CG1 C 4.115 -3.631 1.784 1.00 . A A . 13 VAL CG1 1 1 34 40516 1 1 13 VAL CG2 C 4.998 -4.792 3.813 1.00 . A A . 13 VAL CG2 1 1 34 40517 1 1 13 VAL H H 7.463 -5.817 2.372 1.00 . A A . 13 VAL H 1 1 34 40518 1 1 13 VAL HA H 4.636 -6.399 1.681 1.00 . A A . 13 VAL HA 1 1 34 40519 1 1 13 VAL HB H 6.187 -3.858 2.289 1.00 . A A . 13 VAL HB 1 1 34 40520 1 1 13 VAL HG11 H 3.170 -4.136 1.976 1.00 . A A . 13 VAL HG11 1 1 34 40521 1 1 13 VAL HG12 H 4.126 -2.652 2.256 1.00 . A A . 13 VAL HG12 1 1 34 40522 1 1 13 VAL HG13 H 4.198 -3.461 0.714 1.00 . A A . 13 VAL HG13 1 1 34 40523 1 1 13 VAL HG21 H 5.727 -5.505 4.188 1.00 . A A . 13 VAL HG21 1 1 34 40524 1 1 13 VAL HG22 H 5.068 -3.883 4.410 1.00 . A A . 13 VAL HG22 1 1 34 40525 1 1 13 VAL HG23 H 4.004 -5.225 3.921 1.00 . A A . 13 VAL HG23 1 1 34 40526 1 1 13 VAL N N 6.723 -6.400 1.987 1.00 . A A . 13 VAL N 1 1 34 40527 1 1 13 VAL O O 6.383 -4.484 -0.275 1.00 . A A . 13 VAL O 1 1 34 40528 1 1 14 THR C C 4.400 -4.339 -2.447 1.00 . A A . 14 THR C 1 1 34 40529 1 1 14 THR CA C 5.008 -5.737 -2.269 1.00 . A A . 14 THR CA 1 1 34 40530 1 1 14 THR CB C 4.267 -6.776 -3.123 1.00 . A A . 14 THR CB 1 1 34 40531 1 1 14 THR CG2 C 4.361 -6.453 -4.619 1.00 . A A . 14 THR CG2 1 1 34 40532 1 1 14 THR H H 4.397 -6.916 -0.570 1.00 . A A . 14 THR H 1 1 34 40533 1 1 14 THR HA H 6.049 -5.717 -2.596 1.00 . A A . 14 THR HA 1 1 34 40534 1 1 14 THR HB H 3.215 -6.811 -2.833 1.00 . A A . 14 THR HB 1 1 34 40535 1 1 14 THR HG1 H 5.780 -7.998 -3.068 1.00 . A A . 14 THR HG1 1 1 34 40536 1 1 14 THR HG21 H 3.839 -5.522 -4.846 1.00 . A A . 14 THR HG21 1 1 34 40537 1 1 14 THR HG22 H 5.403 -6.361 -4.927 1.00 . A A . 14 THR HG22 1 1 34 40538 1 1 14 THR HG23 H 3.889 -7.252 -5.192 1.00 . A A . 14 THR HG23 1 1 34 40539 1 1 14 THR N N 4.977 -6.128 -0.860 1.00 . A A . 14 THR N 1 1 34 40540 1 1 14 THR O O 3.202 -4.161 -2.228 1.00 . A A . 14 THR O 1 1 34 40541 1 1 14 THR OG1 O 4.837 -8.047 -2.904 1.00 . A A . 14 THR OG1 1 1 34 40542 1 1 15 PHE C C 4.577 -2.105 -4.831 1.00 . A A . 15 PHE C 1 1 34 40543 1 1 15 PHE CA C 4.711 -2.070 -3.322 1.00 . A A . 15 PHE CA 1 1 34 40544 1 1 15 PHE CB C 5.701 -0.955 -3.038 1.00 . A A . 15 PHE CB 1 1 34 40545 1 1 15 PHE CD1 C 5.650 -1.092 -0.528 1.00 . A A . 15 PHE CD1 1 1 34 40546 1 1 15 PHE CD2 C 5.818 1.080 -1.613 1.00 . A A . 15 PHE CD2 1 1 34 40547 1 1 15 PHE CE1 C 6.015 -0.513 0.694 1.00 . A A . 15 PHE CE1 1 1 34 40548 1 1 15 PHE CE2 C 6.286 1.636 -0.422 1.00 . A A . 15 PHE CE2 1 1 34 40549 1 1 15 PHE CG C 5.608 -0.305 -1.691 1.00 . A A . 15 PHE CG 1 1 34 40550 1 1 15 PHE CZ C 6.421 0.829 0.720 1.00 . A A . 15 PHE CZ 1 1 34 40551 1 1 15 PHE H H 6.207 -3.518 -2.976 1.00 . A A . 15 PHE H 1 1 34 40552 1 1 15 PHE HA H 3.753 -1.822 -2.859 1.00 . A A . 15 PHE HA 1 1 34 40553 1 1 15 PHE HB2 H 6.698 -1.359 -3.156 1.00 . A A . 15 PHE HB2 1 1 34 40554 1 1 15 PHE HB3 H 5.563 -0.175 -3.790 1.00 . A A . 15 PHE HB3 1 1 34 40555 1 1 15 PHE HD1 H 5.545 -2.162 -0.591 1.00 . A A . 15 PHE HD1 1 1 34 40556 1 1 15 PHE HD2 H 5.803 1.695 -2.502 1.00 . A A . 15 PHE HD2 1 1 34 40557 1 1 15 PHE HE1 H 6.173 -1.139 1.561 1.00 . A A . 15 PHE HE1 1 1 34 40558 1 1 15 PHE HE2 H 6.664 2.642 -0.448 1.00 . A A . 15 PHE HE2 1 1 34 40559 1 1 15 PHE HZ H 7.047 1.154 1.527 1.00 . A A . 15 PHE HZ 1 1 34 40560 1 1 15 PHE N N 5.210 -3.352 -2.852 1.00 . A A . 15 PHE N 1 1 34 40561 1 1 15 PHE O O 5.519 -2.479 -5.529 1.00 . A A . 15 PHE O 1 1 34 40562 1 1 16 ASP C C 2.963 -0.092 -7.114 1.00 . A A . 16 ASP C 1 1 34 40563 1 1 16 ASP CA C 3.059 -1.561 -6.690 1.00 . A A . 16 ASP CA 1 1 34 40564 1 1 16 ASP CB C 1.762 -2.387 -6.786 1.00 . A A . 16 ASP CB 1 1 34 40565 1 1 16 ASP CG C 2.044 -3.665 -7.559 1.00 . A A . 16 ASP CG 1 1 34 40566 1 1 16 ASP H H 2.765 -1.268 -4.632 1.00 . A A . 16 ASP H 1 1 34 40567 1 1 16 ASP HA H 3.827 -2.022 -7.314 1.00 . A A . 16 ASP HA 1 1 34 40568 1 1 16 ASP HB2 H 1.415 -2.686 -5.796 1.00 . A A . 16 ASP HB2 1 1 34 40569 1 1 16 ASP HB3 H 0.935 -1.855 -7.241 1.00 . A A . 16 ASP HB3 1 1 34 40570 1 1 16 ASP N N 3.448 -1.590 -5.299 1.00 . A A . 16 ASP N 1 1 34 40571 1 1 16 ASP O O 1.877 0.459 -7.267 1.00 . A A . 16 ASP O 1 1 34 40572 1 1 16 ASP OD1 O 2.167 -3.553 -8.798 1.00 . A A . 16 ASP OD1 1 1 34 40573 1 1 16 ASP OD2 O 2.204 -4.704 -6.885 1.00 . A A . 16 ASP OD2 1 1 34 40574 1 1 17 HIS C C 3.498 2.461 -8.669 1.00 . A A . 17 HIS C 1 1 34 40575 1 1 17 HIS CA C 4.180 2.033 -7.365 1.00 . A A . 17 HIS CA 1 1 34 40576 1 1 17 HIS CB C 5.653 2.500 -7.285 1.00 . A A . 17 HIS CB 1 1 34 40577 1 1 17 HIS CD2 C 5.183 4.705 -6.054 1.00 . A A . 17 HIS CD2 1 1 34 40578 1 1 17 HIS CE1 C 6.800 4.680 -4.579 1.00 . A A . 17 HIS CE1 1 1 34 40579 1 1 17 HIS CG C 5.915 3.565 -6.250 1.00 . A A . 17 HIS CG 1 1 34 40580 1 1 17 HIS H H 4.976 0.057 -7.242 1.00 . A A . 17 HIS H 1 1 34 40581 1 1 17 HIS HA H 3.621 2.462 -6.531 1.00 . A A . 17 HIS HA 1 1 34 40582 1 1 17 HIS HB2 H 6.298 1.656 -7.043 1.00 . A A . 17 HIS HB2 1 1 34 40583 1 1 17 HIS HB3 H 5.983 2.895 -8.246 1.00 . A A . 17 HIS HB3 1 1 34 40584 1 1 17 HIS HD1 H 7.640 2.856 -5.209 1.00 . A A . 17 HIS HD1 1 1 34 40585 1 1 17 HIS HD2 H 4.314 5.002 -6.616 1.00 . A A . 17 HIS HD2 1 1 34 40586 1 1 17 HIS HE1 H 7.439 4.953 -3.757 1.00 . A A . 17 HIS HE1 1 1 34 40587 1 1 17 HIS N N 4.111 0.580 -7.224 1.00 . A A . 17 HIS N 1 1 34 40588 1 1 17 HIS ND1 N 6.933 3.566 -5.322 1.00 . A A . 17 HIS ND1 1 1 34 40589 1 1 17 HIS NE2 N 5.741 5.399 -4.978 1.00 . A A . 17 HIS NE2 1 1 34 40590 1 1 17 HIS O O 2.469 3.135 -8.660 1.00 . A A . 17 HIS O 1 1 34 40591 1 1 18 LYS C C 2.093 1.812 -11.194 1.00 . A A . 18 LYS C 1 1 34 40592 1 1 18 LYS CA C 3.553 2.238 -11.135 1.00 . A A . 18 LYS CA 1 1 34 40593 1 1 18 LYS CB C 4.469 1.559 -12.166 1.00 . A A . 18 LYS CB 1 1 34 40594 1 1 18 LYS CD C 3.836 -0.725 -12.981 1.00 . A A . 18 LYS CD 1 1 34 40595 1 1 18 LYS CE C 2.728 -1.554 -13.652 1.00 . A A . 18 LYS CE 1 1 34 40596 1 1 18 LYS CG C 3.783 0.777 -13.296 1.00 . A A . 18 LYS CG 1 1 34 40597 1 1 18 LYS H H 4.890 1.440 -9.676 1.00 . A A . 18 LYS H 1 1 34 40598 1 1 18 LYS HA H 3.585 3.294 -11.372 1.00 . A A . 18 LYS HA 1 1 34 40599 1 1 18 LYS HB2 H 5.096 2.334 -12.613 1.00 . A A . 18 LYS HB2 1 1 34 40600 1 1 18 LYS HB3 H 5.128 0.880 -11.637 1.00 . A A . 18 LYS HB3 1 1 34 40601 1 1 18 LYS HD2 H 4.820 -1.103 -13.271 1.00 . A A . 18 LYS HD2 1 1 34 40602 1 1 18 LYS HD3 H 3.764 -0.864 -11.903 1.00 . A A . 18 LYS HD3 1 1 34 40603 1 1 18 LYS HE2 H 2.994 -2.611 -13.573 1.00 . A A . 18 LYS HE2 1 1 34 40604 1 1 18 LYS HE3 H 1.788 -1.399 -13.121 1.00 . A A . 18 LYS HE3 1 1 34 40605 1 1 18 LYS HG2 H 2.774 1.146 -13.489 1.00 . A A . 18 LYS HG2 1 1 34 40606 1 1 18 LYS HG3 H 4.365 0.943 -14.196 1.00 . A A . 18 LYS HG3 1 1 34 40607 1 1 18 LYS HZ1 H 3.372 -1.163 -15.588 1.00 . A A . 18 LYS HZ1 1 1 34 40608 1 1 18 LYS HZ2 H 1.877 -1.864 -15.494 1.00 . A A . 18 LYS HZ2 1 1 34 40609 1 1 18 LYS HZ3 H 2.021 -0.308 -15.127 1.00 . A A . 18 LYS HZ3 1 1 34 40610 1 1 18 LYS N N 4.072 2.026 -9.792 1.00 . A A . 18 LYS N 1 1 34 40611 1 1 18 LYS NZ N 2.510 -1.203 -15.069 1.00 . A A . 18 LYS NZ 1 1 34 40612 1 1 18 LYS O O 1.237 2.595 -11.575 1.00 . A A . 18 LYS O 1 1 34 40613 1 1 19 ALA C C -0.527 0.937 -10.111 1.00 . A A . 19 ALA C 1 1 34 40614 1 1 19 ALA CA C 0.484 -0.003 -10.768 1.00 . A A . 19 ALA CA 1 1 34 40615 1 1 19 ALA CB C 0.568 -1.306 -10.003 1.00 . A A . 19 ALA CB 1 1 34 40616 1 1 19 ALA H H 2.602 0.000 -10.534 1.00 . A A . 19 ALA H 1 1 34 40617 1 1 19 ALA HA H 0.145 -0.244 -11.775 1.00 . A A . 19 ALA HA 1 1 34 40618 1 1 19 ALA HB1 H -0.425 -1.652 -9.716 1.00 . A A . 19 ALA HB1 1 1 34 40619 1 1 19 ALA HB2 H 1.075 -2.062 -10.601 1.00 . A A . 19 ALA HB2 1 1 34 40620 1 1 19 ALA HB3 H 1.157 -1.080 -9.125 1.00 . A A . 19 ALA HB3 1 1 34 40621 1 1 19 ALA N N 1.820 0.569 -10.818 1.00 . A A . 19 ALA N 1 1 34 40622 1 1 19 ALA O O -1.478 1.367 -10.760 1.00 . A A . 19 ALA O 1 1 34 40623 1 1 20 HIS C C -1.301 3.530 -8.933 1.00 . A A . 20 HIS C 1 1 34 40624 1 1 20 HIS CA C -1.297 2.186 -8.196 1.00 . A A . 20 HIS CA 1 1 34 40625 1 1 20 HIS CB C -1.008 2.357 -6.700 1.00 . A A . 20 HIS CB 1 1 34 40626 1 1 20 HIS CD2 C -2.309 0.749 -5.147 1.00 . A A . 20 HIS CD2 1 1 34 40627 1 1 20 HIS CE1 C -0.714 -0.674 -4.680 1.00 . A A . 20 HIS CE1 1 1 34 40628 1 1 20 HIS CG C -1.196 1.111 -5.863 1.00 . A A . 20 HIS CG 1 1 34 40629 1 1 20 HIS H H 0.486 0.994 -8.333 1.00 . A A . 20 HIS H 1 1 34 40630 1 1 20 HIS HA H -2.286 1.739 -8.291 1.00 . A A . 20 HIS HA 1 1 34 40631 1 1 20 HIS HB2 H 0.014 2.714 -6.573 1.00 . A A . 20 HIS HB2 1 1 34 40632 1 1 20 HIS HB3 H -1.691 3.115 -6.316 1.00 . A A . 20 HIS HB3 1 1 34 40633 1 1 20 HIS HD1 H 0.725 0.204 -5.935 1.00 . A A . 20 HIS HD1 1 1 34 40634 1 1 20 HIS HD2 H -3.251 1.272 -5.140 1.00 . A A . 20 HIS HD2 1 1 34 40635 1 1 20 HIS HE1 H -0.171 -1.501 -4.256 1.00 . A A . 20 HIS HE1 1 1 34 40636 1 1 20 HIS N N -0.347 1.286 -8.836 1.00 . A A . 20 HIS N 1 1 34 40637 1 1 20 HIS ND1 N -0.208 0.210 -5.551 1.00 . A A . 20 HIS ND1 1 1 34 40638 1 1 20 HIS NE2 N -1.991 -0.391 -4.395 1.00 . A A . 20 HIS NE2 1 1 34 40639 1 1 20 HIS O O -2.339 4.175 -9.058 1.00 . A A . 20 HIS O 1 1 34 40640 1 1 21 ALA C C -0.922 5.179 -11.494 1.00 . A A . 21 ALA C 1 1 34 40641 1 1 21 ALA CA C -0.081 5.207 -10.203 1.00 . A A . 21 ALA CA 1 1 34 40642 1 1 21 ALA CB C 1.375 5.600 -10.464 1.00 . A A . 21 ALA CB 1 1 34 40643 1 1 21 ALA H H 0.674 3.357 -9.384 1.00 . A A . 21 ALA H 1 1 34 40644 1 1 21 ALA HA H -0.493 5.977 -9.550 1.00 . A A . 21 ALA HA 1 1 34 40645 1 1 21 ALA HB1 H 1.928 5.604 -9.524 1.00 . A A . 21 ALA HB1 1 1 34 40646 1 1 21 ALA HB2 H 1.849 4.905 -11.151 1.00 . A A . 21 ALA HB2 1 1 34 40647 1 1 21 ALA HB3 H 1.404 6.598 -10.901 1.00 . A A . 21 ALA HB3 1 1 34 40648 1 1 21 ALA N N -0.152 3.953 -9.461 1.00 . A A . 21 ALA N 1 1 34 40649 1 1 21 ALA O O -1.549 6.170 -11.847 1.00 . A A . 21 ALA O 1 1 34 40650 1 1 22 GLU C C -3.202 3.692 -13.138 1.00 . A A . 22 GLU C 1 1 34 40651 1 1 22 GLU CA C -1.725 3.930 -13.452 1.00 . A A . 22 GLU CA 1 1 34 40652 1 1 22 GLU CB C -1.133 2.867 -14.404 1.00 . A A . 22 GLU CB 1 1 34 40653 1 1 22 GLU CD C -0.537 0.390 -14.720 1.00 . A A . 22 GLU CD 1 1 34 40654 1 1 22 GLU CG C -1.063 1.466 -13.791 1.00 . A A . 22 GLU CG 1 1 34 40655 1 1 22 GLU H H -0.472 3.259 -11.831 1.00 . A A . 22 GLU H 1 1 34 40656 1 1 22 GLU HA H -1.664 4.877 -13.992 1.00 . A A . 22 GLU HA 1 1 34 40657 1 1 22 GLU HB2 H -1.748 2.824 -15.304 1.00 . A A . 22 GLU HB2 1 1 34 40658 1 1 22 GLU HB3 H -0.124 3.168 -14.692 1.00 . A A . 22 GLU HB3 1 1 34 40659 1 1 22 GLU HG2 H -0.382 1.504 -12.956 1.00 . A A . 22 GLU HG2 1 1 34 40660 1 1 22 GLU HG3 H -2.047 1.160 -13.451 1.00 . A A . 22 GLU HG3 1 1 34 40661 1 1 22 GLU N N -0.961 4.057 -12.211 1.00 . A A . 22 GLU N 1 1 34 40662 1 1 22 GLU O O -4.074 4.262 -13.789 1.00 . A A . 22 GLU O 1 1 34 40663 1 1 22 GLU OE1 O 0.610 0.533 -15.199 1.00 . A A . 22 GLU OE1 1 1 34 40664 1 1 22 GLU OE2 O -1.265 -0.617 -14.868 1.00 . A A . 22 GLU OE2 1 1 34 40665 1 1 23 LYS C C -5.538 3.715 -11.134 1.00 . A A . 23 LYS C 1 1 34 40666 1 1 23 LYS CA C -4.849 2.504 -11.769 1.00 . A A . 23 LYS CA 1 1 34 40667 1 1 23 LYS CB C -4.846 1.276 -10.845 1.00 . A A . 23 LYS CB 1 1 34 40668 1 1 23 LYS CD C -5.045 -0.499 -12.686 1.00 . A A . 23 LYS CD 1 1 34 40669 1 1 23 LYS CE C -4.476 -1.828 -13.214 1.00 . A A . 23 LYS CE 1 1 34 40670 1 1 23 LYS CG C -4.244 0.013 -11.487 1.00 . A A . 23 LYS CG 1 1 34 40671 1 1 23 LYS H H -2.731 2.360 -11.676 1.00 . A A . 23 LYS H 1 1 34 40672 1 1 23 LYS HA H -5.419 2.262 -12.667 1.00 . A A . 23 LYS HA 1 1 34 40673 1 1 23 LYS HB2 H -4.266 1.511 -9.951 1.00 . A A . 23 LYS HB2 1 1 34 40674 1 1 23 LYS HB3 H -5.871 1.062 -10.538 1.00 . A A . 23 LYS HB3 1 1 34 40675 1 1 23 LYS HD2 H -6.056 -0.678 -12.321 1.00 . A A . 23 LYS HD2 1 1 34 40676 1 1 23 LYS HD3 H -5.091 0.241 -13.484 1.00 . A A . 23 LYS HD3 1 1 34 40677 1 1 23 LYS HE2 H -3.986 -2.375 -12.406 1.00 . A A . 23 LYS HE2 1 1 34 40678 1 1 23 LYS HE3 H -5.313 -2.439 -13.558 1.00 . A A . 23 LYS HE3 1 1 34 40679 1 1 23 LYS HG2 H -3.219 0.180 -11.798 1.00 . A A . 23 LYS HG2 1 1 34 40680 1 1 23 LYS HG3 H -4.235 -0.765 -10.719 1.00 . A A . 23 LYS HG3 1 1 34 40681 1 1 23 LYS HZ1 H -3.982 -1.212 -15.124 1.00 . A A . 23 LYS HZ1 1 1 34 40682 1 1 23 LYS HZ2 H -2.694 -1.122 -14.132 1.00 . A A . 23 LYS HZ2 1 1 34 40683 1 1 23 LYS HZ3 H -3.206 -2.570 -14.643 1.00 . A A . 23 LYS HZ3 1 1 34 40684 1 1 23 LYS N N -3.491 2.834 -12.154 1.00 . A A . 23 LYS N 1 1 34 40685 1 1 23 LYS NZ N -3.536 -1.665 -14.343 1.00 . A A . 23 LYS NZ 1 1 34 40686 1 1 23 LYS O O -6.649 4.058 -11.533 1.00 . A A . 23 LYS O 1 1 34 40687 1 1 24 LEU C C -4.974 6.798 -10.196 1.00 . A A . 24 LEU C 1 1 34 40688 1 1 24 LEU CA C -5.451 5.527 -9.491 1.00 . A A . 24 LEU CA 1 1 34 40689 1 1 24 LEU CB C -5.022 5.583 -8.022 1.00 . A A . 24 LEU CB 1 1 34 40690 1 1 24 LEU CD1 C -6.954 4.562 -6.752 1.00 . A A . 24 LEU CD1 1 1 34 40691 1 1 24 LEU CD2 C -5.124 3.022 -7.508 1.00 . A A . 24 LEU CD2 1 1 34 40692 1 1 24 LEU CG C -5.466 4.451 -7.086 1.00 . A A . 24 LEU CG 1 1 34 40693 1 1 24 LEU H H -4.005 4.024 -9.806 1.00 . A A . 24 LEU H 1 1 34 40694 1 1 24 LEU HA H -6.541 5.508 -9.524 1.00 . A A . 24 LEU HA 1 1 34 40695 1 1 24 LEU HB2 H -3.939 5.667 -7.949 1.00 . A A . 24 LEU HB2 1 1 34 40696 1 1 24 LEU HB3 H -5.448 6.511 -7.643 1.00 . A A . 24 LEU HB3 1 1 34 40697 1 1 24 LEU HD11 H -7.138 5.524 -6.273 1.00 . A A . 24 LEU HD11 1 1 34 40698 1 1 24 LEU HD12 H -7.549 4.484 -7.661 1.00 . A A . 24 LEU HD12 1 1 34 40699 1 1 24 LEU HD13 H -7.238 3.762 -6.072 1.00 . A A . 24 LEU HD13 1 1 34 40700 1 1 24 LEU HD21 H -5.749 2.700 -8.338 1.00 . A A . 24 LEU HD21 1 1 34 40701 1 1 24 LEU HD22 H -4.074 2.973 -7.775 1.00 . A A . 24 LEU HD22 1 1 34 40702 1 1 24 LEU HD23 H -5.285 2.353 -6.663 1.00 . A A . 24 LEU HD23 1 1 34 40703 1 1 24 LEU HG H -4.890 4.615 -6.182 1.00 . A A . 24 LEU HG 1 1 34 40704 1 1 24 LEU N N -4.903 4.353 -10.146 1.00 . A A . 24 LEU N 1 1 34 40705 1 1 24 LEU O O -5.784 7.540 -10.746 1.00 . A A . 24 LEU O 1 1 34 40706 1 1 25 GLY C C -1.813 8.614 -9.773 1.00 . A A . 25 GLY C 1 1 34 40707 1 1 25 GLY CA C -3.112 8.358 -10.533 1.00 . A A . 25 GLY CA 1 1 34 40708 1 1 25 GLY H H -3.010 6.385 -9.786 1.00 . A A . 25 GLY H 1 1 34 40709 1 1 25 GLY HA2 H -2.916 8.349 -11.605 1.00 . A A . 25 GLY HA2 1 1 34 40710 1 1 25 GLY HA3 H -3.814 9.165 -10.315 1.00 . A A . 25 GLY HA3 1 1 34 40711 1 1 25 GLY N N -3.667 7.077 -10.130 1.00 . A A . 25 GLY N 1 1 34 40712 1 1 25 GLY O O -0.728 8.356 -10.288 1.00 . A A . 25 GLY O 1 1 34 40713 1 1 26 CYS C C -1.313 10.133 -6.400 1.00 . A A . 26 CYS C 1 1 34 40714 1 1 26 CYS CA C -0.781 9.545 -7.710 1.00 . A A . 26 CYS CA 1 1 34 40715 1 1 26 CYS CB C 0.074 10.580 -8.430 1.00 . A A . 26 CYS CB 1 1 34 40716 1 1 26 CYS H H -2.873 9.253 -8.183 1.00 . A A . 26 CYS H 1 1 34 40717 1 1 26 CYS HA H -0.193 8.660 -7.478 1.00 . A A . 26 CYS HA 1 1 34 40718 1 1 26 CYS HB2 H 0.092 10.453 -9.509 1.00 . A A . 26 CYS HB2 1 1 34 40719 1 1 26 CYS HB3 H -0.311 11.584 -8.244 1.00 . A A . 26 CYS HB3 1 1 34 40720 1 1 26 CYS N N -1.920 9.125 -8.543 1.00 . A A . 26 CYS N 1 1 34 40721 1 1 26 CYS O O -0.954 9.710 -5.295 1.00 . A A . 26 CYS O 1 1 34 40722 1 1 26 CYS SG S 1.792 10.527 -7.863 1.00 . A A . 26 CYS SG 1 1 34 40723 1 1 27 ASP C C -3.577 10.703 -4.565 1.00 . A A . 27 ASP C 1 1 34 40724 1 1 27 ASP CA C -3.202 11.662 -5.686 1.00 . A A . 27 ASP CA 1 1 34 40725 1 1 27 ASP CB C -4.449 12.038 -6.515 1.00 . A A . 27 ASP CB 1 1 34 40726 1 1 27 ASP CG C -5.101 10.864 -7.259 1.00 . A A . 27 ASP CG 1 1 34 40727 1 1 27 ASP H H -2.587 11.064 -7.551 1.00 . A A . 27 ASP H 1 1 34 40728 1 1 27 ASP HA H -2.779 12.569 -5.257 1.00 . A A . 27 ASP HA 1 1 34 40729 1 1 27 ASP HB2 H -5.187 12.472 -5.840 1.00 . A A . 27 ASP HB2 1 1 34 40730 1 1 27 ASP HB3 H -4.175 12.794 -7.250 1.00 . A A . 27 ASP HB3 1 1 34 40731 1 1 27 ASP N N -2.245 11.065 -6.602 1.00 . A A . 27 ASP N 1 1 34 40732 1 1 27 ASP O O -3.574 11.065 -3.392 1.00 . A A . 27 ASP O 1 1 34 40733 1 1 27 ASP OD1 O -4.360 9.911 -7.614 1.00 . A A . 27 ASP OD1 1 1 34 40734 1 1 27 ASP OD2 O -6.331 10.933 -7.451 1.00 . A A . 27 ASP OD2 1 1 34 40735 1 1 28 ALA C C -3.410 8.299 -2.834 1.00 . A A . 28 ALA C 1 1 34 40736 1 1 28 ALA CA C -4.212 8.336 -4.130 1.00 . A A . 28 ALA CA 1 1 34 40737 1 1 28 ALA CB C -3.937 7.073 -4.937 1.00 . A A . 28 ALA CB 1 1 34 40738 1 1 28 ALA H H -3.907 9.345 -5.977 1.00 . A A . 28 ALA H 1 1 34 40739 1 1 28 ALA HA H -5.275 8.399 -3.909 1.00 . A A . 28 ALA HA 1 1 34 40740 1 1 28 ALA HB1 H -4.531 7.122 -5.840 1.00 . A A . 28 ALA HB1 1 1 34 40741 1 1 28 ALA HB2 H -2.882 7.027 -5.212 1.00 . A A . 28 ALA HB2 1 1 34 40742 1 1 28 ALA HB3 H -4.205 6.189 -4.360 1.00 . A A . 28 ALA HB3 1 1 34 40743 1 1 28 ALA N N -3.882 9.470 -4.967 1.00 . A A . 28 ALA N 1 1 34 40744 1 1 28 ALA O O -3.967 8.020 -1.773 1.00 . A A . 28 ALA O 1 1 34 40745 1 1 29 CYS C C -0.407 9.738 -1.621 1.00 . A A . 29 CYS C 1 1 34 40746 1 1 29 CYS CA C -1.171 8.429 -1.832 1.00 . A A . 29 CYS CA 1 1 34 40747 1 1 29 CYS CB C -0.227 7.281 -2.070 1.00 . A A . 29 CYS CB 1 1 34 40748 1 1 29 CYS H H -1.742 8.774 -3.864 1.00 . A A . 29 CYS H 1 1 34 40749 1 1 29 CYS HA H -1.709 8.221 -0.906 1.00 . A A . 29 CYS HA 1 1 34 40750 1 1 29 CYS HB2 H 0.410 7.535 -2.916 1.00 . A A . 29 CYS HB2 1 1 34 40751 1 1 29 CYS HB3 H 0.390 7.145 -1.186 1.00 . A A . 29 CYS HB3 1 1 34 40752 1 1 29 CYS N N -2.101 8.529 -2.946 1.00 . A A . 29 CYS N 1 1 34 40753 1 1 29 CYS O O -0.118 10.091 -0.480 1.00 . A A . 29 CYS O 1 1 34 40754 1 1 29 CYS SG S -1.117 5.719 -2.392 1.00 . A A . 29 CYS SG 1 1 34 40755 1 1 30 HIS C C -0.070 12.830 -3.212 1.00 . A A . 30 HIS C 1 1 34 40756 1 1 30 HIS CA C 0.735 11.676 -2.620 1.00 . A A . 30 HIS CA 1 1 34 40757 1 1 30 HIS CB C 2.033 11.520 -3.417 1.00 . A A . 30 HIS CB 1 1 34 40758 1 1 30 HIS CD2 C 3.138 9.280 -3.842 1.00 . A A . 30 HIS CD2 1 1 34 40759 1 1 30 HIS CE1 C 4.544 9.179 -2.181 1.00 . A A . 30 HIS CE1 1 1 34 40760 1 1 30 HIS CG C 2.888 10.343 -3.032 1.00 . A A . 30 HIS CG 1 1 34 40761 1 1 30 HIS H H -0.376 10.178 -3.620 1.00 . A A . 30 HIS H 1 1 34 40762 1 1 30 HIS HA H 1.002 11.911 -1.588 1.00 . A A . 30 HIS HA 1 1 34 40763 1 1 30 HIS HB2 H 1.769 11.420 -4.472 1.00 . A A . 30 HIS HB2 1 1 34 40764 1 1 30 HIS HB3 H 2.616 12.435 -3.318 1.00 . A A . 30 HIS HB3 1 1 34 40765 1 1 30 HIS HD1 H 3.882 10.956 -1.255 1.00 . A A . 30 HIS HD1 1 1 34 40766 1 1 30 HIS HD2 H 2.661 9.074 -4.779 1.00 . A A . 30 HIS HD2 1 1 34 40767 1 1 30 HIS HE1 H 5.373 8.856 -1.575 1.00 . A A . 30 HIS HE1 1 1 34 40768 1 1 30 HIS N N -0.053 10.454 -2.696 1.00 . A A . 30 HIS N 1 1 34 40769 1 1 30 HIS ND1 N 3.779 10.275 -1.986 1.00 . A A . 30 HIS ND1 1 1 34 40770 1 1 30 HIS NE2 N 4.196 8.552 -3.312 1.00 . A A . 30 HIS NE2 1 1 34 40771 1 1 30 HIS O O -0.380 12.797 -4.400 1.00 . A A . 30 HIS O 1 1 34 40772 1 1 31 GLU C C -0.008 15.968 -3.618 1.00 . A A . 31 GLU C 1 1 34 40773 1 1 31 GLU CA C -1.008 15.071 -2.873 1.00 . A A . 31 GLU CA 1 1 34 40774 1 1 31 GLU CB C -1.649 15.788 -1.672 1.00 . A A . 31 GLU CB 1 1 34 40775 1 1 31 GLU CD C -3.445 15.727 0.100 1.00 . A A . 31 GLU CD 1 1 34 40776 1 1 31 GLU CG C -2.751 14.958 -1.020 1.00 . A A . 31 GLU CG 1 1 34 40777 1 1 31 GLU H H -0.113 13.796 -1.432 1.00 . A A . 31 GLU H 1 1 34 40778 1 1 31 GLU HA H -1.803 14.808 -3.575 1.00 . A A . 31 GLU HA 1 1 34 40779 1 1 31 GLU HB2 H -0.905 15.998 -0.900 1.00 . A A . 31 GLU HB2 1 1 34 40780 1 1 31 GLU HB3 H -2.111 16.720 -2.003 1.00 . A A . 31 GLU HB3 1 1 34 40781 1 1 31 GLU HG2 H -3.483 14.708 -1.785 1.00 . A A . 31 GLU HG2 1 1 34 40782 1 1 31 GLU HG3 H -2.329 14.045 -0.607 1.00 . A A . 31 GLU HG3 1 1 34 40783 1 1 31 GLU N N -0.352 13.858 -2.410 1.00 . A A . 31 GLU N 1 1 34 40784 1 1 31 GLU O O 0.469 15.629 -4.697 1.00 . A A . 31 GLU O 1 1 34 40785 1 1 31 GLU OE1 O -2.866 16.746 0.536 1.00 . A A . 31 GLU OE1 1 1 34 40786 1 1 31 GLU OE2 O -4.545 15.285 0.495 1.00 . A A . 31 GLU OE2 1 1 34 40787 1 1 32 GLY C C 2.390 17.725 -4.283 1.00 . A A . 32 GLY C 1 1 34 40788 1 1 32 GLY CA C 1.073 18.196 -3.666 1.00 . A A . 32 GLY CA 1 1 34 40789 1 1 32 GLY H H -0.153 17.333 -2.160 1.00 . A A . 32 GLY H 1 1 34 40790 1 1 32 GLY HA2 H 0.463 18.647 -4.447 1.00 . A A . 32 GLY HA2 1 1 34 40791 1 1 32 GLY HA3 H 1.294 18.956 -2.917 1.00 . A A . 32 GLY HA3 1 1 34 40792 1 1 32 GLY N N 0.303 17.130 -3.036 1.00 . A A . 32 GLY N 1 1 34 40793 1 1 32 GLY O O 2.751 18.166 -5.371 1.00 . A A . 32 GLY O 1 1 34 40794 1 1 33 THR C C 4.688 15.037 -3.264 1.00 . A A . 33 THR C 1 1 34 40795 1 1 33 THR CA C 4.385 16.311 -4.066 1.00 . A A . 33 THR CA 1 1 34 40796 1 1 33 THR CB C 5.497 17.372 -3.954 1.00 . A A . 33 THR CB 1 1 34 40797 1 1 33 THR CG2 C 5.783 17.793 -2.506 1.00 . A A . 33 THR CG2 1 1 34 40798 1 1 33 THR H H 2.789 16.508 -2.697 1.00 . A A . 33 THR H 1 1 34 40799 1 1 33 THR HA H 4.244 16.071 -5.118 1.00 . A A . 33 THR HA 1 1 34 40800 1 1 33 THR HB H 5.194 18.259 -4.513 1.00 . A A . 33 THR HB 1 1 34 40801 1 1 33 THR HG1 H 7.373 17.564 -4.449 1.00 . A A . 33 THR HG1 1 1 34 40802 1 1 33 THR HG21 H 4.872 18.157 -2.032 1.00 . A A . 33 THR HG21 1 1 34 40803 1 1 33 THR HG22 H 6.173 16.951 -1.934 1.00 . A A . 33 THR HG22 1 1 34 40804 1 1 33 THR HG23 H 6.523 18.594 -2.498 1.00 . A A . 33 THR HG23 1 1 34 40805 1 1 33 THR N N 3.128 16.862 -3.582 1.00 . A A . 33 THR N 1 1 34 40806 1 1 33 THR O O 4.277 14.959 -2.105 1.00 . A A . 33 THR O 1 1 34 40807 1 1 33 THR OG1 O 6.689 16.895 -4.538 1.00 . A A . 33 THR OG1 1 1 34 40808 1 1 34 PRO C C 7.108 13.276 -2.311 1.00 . A A . 34 PRO C 1 1 34 40809 1 1 34 PRO CA C 5.851 12.888 -3.080 1.00 . A A . 34 PRO CA 1 1 34 40810 1 1 34 PRO CB C 6.211 11.799 -4.084 1.00 . A A . 34 PRO CB 1 1 34 40811 1 1 34 PRO CD C 5.789 13.927 -5.219 1.00 . A A . 34 PRO CD 1 1 34 40812 1 1 34 PRO CG C 6.065 12.446 -5.453 1.00 . A A . 34 PRO CG 1 1 34 40813 1 1 34 PRO HA H 5.084 12.507 -2.415 1.00 . A A . 34 PRO HA 1 1 34 40814 1 1 34 PRO HB2 H 7.230 11.455 -3.923 1.00 . A A . 34 PRO HB2 1 1 34 40815 1 1 34 PRO HB3 H 5.530 10.953 -4.009 1.00 . A A . 34 PRO HB3 1 1 34 40816 1 1 34 PRO HD2 H 6.711 14.493 -5.353 1.00 . A A . 34 PRO HD2 1 1 34 40817 1 1 34 PRO HD3 H 5.035 14.259 -5.932 1.00 . A A . 34 PRO HD3 1 1 34 40818 1 1 34 PRO HG2 H 6.972 12.315 -6.038 1.00 . A A . 34 PRO HG2 1 1 34 40819 1 1 34 PRO HG3 H 5.200 11.988 -5.927 1.00 . A A . 34 PRO HG3 1 1 34 40820 1 1 34 PRO N N 5.361 14.025 -3.838 1.00 . A A . 34 PRO N 1 1 34 40821 1 1 34 PRO O O 7.952 14.003 -2.831 1.00 . A A . 34 PRO O 1 1 34 40822 1 1 35 ALA C C 8.499 11.799 0.751 1.00 . A A . 35 ALA C 1 1 34 40823 1 1 35 ALA CA C 8.494 12.874 -0.334 1.00 . A A . 35 ALA CA 1 1 34 40824 1 1 35 ALA CB C 8.562 14.296 0.226 1.00 . A A . 35 ALA CB 1 1 34 40825 1 1 35 ALA H H 6.535 12.166 -0.707 1.00 . A A . 35 ALA H 1 1 34 40826 1 1 35 ALA HA H 9.360 12.711 -0.977 1.00 . A A . 35 ALA HA 1 1 34 40827 1 1 35 ALA HB1 H 7.689 14.487 0.849 1.00 . A A . 35 ALA HB1 1 1 34 40828 1 1 35 ALA HB2 H 9.472 14.422 0.811 1.00 . A A . 35 ALA HB2 1 1 34 40829 1 1 35 ALA HB3 H 8.569 15.004 -0.605 1.00 . A A . 35 ALA HB3 1 1 34 40830 1 1 35 ALA N N 7.272 12.728 -1.108 1.00 . A A . 35 ALA N 1 1 34 40831 1 1 35 ALA O O 8.644 12.094 1.935 1.00 . A A . 35 ALA O 1 1 34 40832 1 1 36 LYS C C 6.582 9.570 1.807 1.00 . A A . 36 LYS C 1 1 34 40833 1 1 36 LYS CA C 7.955 9.407 1.150 1.00 . A A . 36 LYS CA 1 1 34 40834 1 1 36 LYS CB C 9.043 9.104 2.191 1.00 . A A . 36 LYS CB 1 1 34 40835 1 1 36 LYS CD C 11.362 8.021 2.421 1.00 . A A . 36 LYS CD 1 1 34 40836 1 1 36 LYS CE C 10.688 6.681 2.731 1.00 . A A . 36 LYS CE 1 1 34 40837 1 1 36 LYS CG C 10.409 8.843 1.538 1.00 . A A . 36 LYS CG 1 1 34 40838 1 1 36 LYS H H 8.207 10.432 -0.686 1.00 . A A . 36 LYS H 1 1 34 40839 1 1 36 LYS HA H 7.872 8.548 0.492 1.00 . A A . 36 LYS HA 1 1 34 40840 1 1 36 LYS HB2 H 9.134 9.905 2.924 1.00 . A A . 36 LYS HB2 1 1 34 40841 1 1 36 LYS HB3 H 8.692 8.225 2.719 1.00 . A A . 36 LYS HB3 1 1 34 40842 1 1 36 LYS HD2 H 12.281 7.864 1.851 1.00 . A A . 36 LYS HD2 1 1 34 40843 1 1 36 LYS HD3 H 11.596 8.566 3.338 1.00 . A A . 36 LYS HD3 1 1 34 40844 1 1 36 LYS HE2 H 9.961 6.795 3.535 1.00 . A A . 36 LYS HE2 1 1 34 40845 1 1 36 LYS HE3 H 10.176 6.333 1.834 1.00 . A A . 36 LYS HE3 1 1 34 40846 1 1 36 LYS HG2 H 10.263 8.284 0.615 1.00 . A A . 36 LYS HG2 1 1 34 40847 1 1 36 LYS HG3 H 10.883 9.791 1.277 1.00 . A A . 36 LYS HG3 1 1 34 40848 1 1 36 LYS HZ1 H 12.064 5.816 4.011 1.00 . A A . 36 LYS HZ1 1 1 34 40849 1 1 36 LYS HZ2 H 10.932 4.823 3.323 1.00 . A A . 36 LYS HZ2 1 1 34 40850 1 1 36 LYS HZ3 H 12.220 5.336 2.410 1.00 . A A . 36 LYS HZ3 1 1 34 40851 1 1 36 LYS N N 8.294 10.552 0.312 1.00 . A A . 36 LYS N 1 1 34 40852 1 1 36 LYS NZ N 11.585 5.596 3.152 1.00 . A A . 36 LYS NZ 1 1 34 40853 1 1 36 LYS O O 5.976 10.637 1.717 1.00 . A A . 36 LYS O 1 1 34 40854 1 1 37 ILE C C 5.030 7.826 4.674 1.00 . A A . 37 ILE C 1 1 34 40855 1 1 37 ILE CA C 4.951 8.642 3.378 1.00 . A A . 37 ILE CA 1 1 34 40856 1 1 37 ILE CB C 3.568 8.527 2.694 1.00 . A A . 37 ILE CB 1 1 34 40857 1 1 37 ILE CD1 C 2.300 7.622 0.676 1.00 . A A . 37 ILE CD1 1 1 34 40858 1 1 37 ILE CG1 C 3.664 7.941 1.282 1.00 . A A . 37 ILE CG1 1 1 34 40859 1 1 37 ILE CG2 C 2.864 9.892 2.687 1.00 . A A . 37 ILE CG2 1 1 34 40860 1 1 37 ILE H H 6.529 7.601 2.295 1.00 . A A . 37 ILE H 1 1 34 40861 1 1 37 ILE HA H 5.031 9.650 3.778 1.00 . A A . 37 ILE HA 1 1 34 40862 1 1 37 ILE HB H 2.946 7.852 3.285 1.00 . A A . 37 ILE HB 1 1 34 40863 1 1 37 ILE HD11 H 1.734 6.962 1.334 1.00 . A A . 37 ILE HD11 1 1 34 40864 1 1 37 ILE HD12 H 1.737 8.537 0.502 1.00 . A A . 37 ILE HD12 1 1 34 40865 1 1 37 ILE HD13 H 2.458 7.132 -0.281 1.00 . A A . 37 ILE HD13 1 1 34 40866 1 1 37 ILE HG12 H 4.186 8.622 0.616 1.00 . A A . 37 ILE HG12 1 1 34 40867 1 1 37 ILE HG13 H 4.231 7.021 1.348 1.00 . A A . 37 ILE HG13 1 1 34 40868 1 1 37 ILE HG21 H 3.388 10.586 2.030 1.00 . A A . 37 ILE HG21 1 1 34 40869 1 1 37 ILE HG22 H 1.834 9.791 2.347 1.00 . A A . 37 ILE HG22 1 1 34 40870 1 1 37 ILE HG23 H 2.842 10.303 3.696 1.00 . A A . 37 ILE HG23 1 1 34 40871 1 1 37 ILE N N 6.086 8.503 2.449 1.00 . A A . 37 ILE N 1 1 34 40872 1 1 37 ILE O O 4.230 8.077 5.574 1.00 . A A . 37 ILE O 1 1 34 40873 1 1 38 ALA C C 5.268 5.119 6.326 1.00 . A A . 38 ALA C 1 1 34 40874 1 1 38 ALA CA C 6.295 6.213 6.062 1.00 . A A . 38 ALA CA 1 1 34 40875 1 1 38 ALA CB C 6.516 7.187 7.217 1.00 . A A . 38 ALA CB 1 1 34 40876 1 1 38 ALA H H 6.473 6.528 4.008 1.00 . A A . 38 ALA H 1 1 34 40877 1 1 38 ALA HA H 7.258 5.717 5.929 1.00 . A A . 38 ALA HA 1 1 34 40878 1 1 38 ALA HB1 H 5.582 7.633 7.549 1.00 . A A . 38 ALA HB1 1 1 34 40879 1 1 38 ALA HB2 H 6.972 6.653 8.051 1.00 . A A . 38 ALA HB2 1 1 34 40880 1 1 38 ALA HB3 H 7.194 7.960 6.858 1.00 . A A . 38 ALA HB3 1 1 34 40881 1 1 38 ALA N N 5.986 6.905 4.815 1.00 . A A . 38 ALA N 1 1 34 40882 1 1 38 ALA O O 4.466 5.169 7.267 1.00 . A A . 38 ALA O 1 1 34 40883 1 1 39 ILE C C 4.977 2.012 6.647 1.00 . A A . 39 ILE C 1 1 34 40884 1 1 39 ILE CA C 4.440 2.953 5.577 1.00 . A A . 39 ILE CA 1 1 34 40885 1 1 39 ILE CB C 4.220 2.298 4.218 1.00 . A A . 39 ILE CB 1 1 34 40886 1 1 39 ILE CD1 C 2.018 3.656 3.771 1.00 . A A . 39 ILE CD1 1 1 34 40887 1 1 39 ILE CG1 C 3.449 3.290 3.351 1.00 . A A . 39 ILE CG1 1 1 34 40888 1 1 39 ILE CG2 C 3.463 0.972 4.300 1.00 . A A . 39 ILE CG2 1 1 34 40889 1 1 39 ILE H H 5.929 4.211 4.641 1.00 . A A . 39 ILE H 1 1 34 40890 1 1 39 ILE HA H 3.459 3.276 5.919 1.00 . A A . 39 ILE HA 1 1 34 40891 1 1 39 ILE HB H 5.190 2.105 3.753 1.00 . A A . 39 ILE HB 1 1 34 40892 1 1 39 ILE HD11 H 1.561 4.237 2.969 1.00 . A A . 39 ILE HD11 1 1 34 40893 1 1 39 ILE HD12 H 1.413 2.766 3.937 1.00 . A A . 39 ILE HD12 1 1 34 40894 1 1 39 ILE HD13 H 2.014 4.272 4.670 1.00 . A A . 39 ILE HD13 1 1 34 40895 1 1 39 ILE HG12 H 4.037 4.200 3.301 1.00 . A A . 39 ILE HG12 1 1 34 40896 1 1 39 ILE HG13 H 3.410 2.842 2.374 1.00 . A A . 39 ILE HG13 1 1 34 40897 1 1 39 ILE HG21 H 2.563 1.091 4.899 1.00 . A A . 39 ILE HG21 1 1 34 40898 1 1 39 ILE HG22 H 3.196 0.634 3.299 1.00 . A A . 39 ILE HG22 1 1 34 40899 1 1 39 ILE HG23 H 4.102 0.221 4.754 1.00 . A A . 39 ILE HG23 1 1 34 40900 1 1 39 ILE N N 5.290 4.122 5.443 1.00 . A A . 39 ILE N 1 1 34 40901 1 1 39 ILE O O 5.791 1.130 6.388 1.00 . A A . 39 ILE O 1 1 34 40902 1 1 40 ASP C C 3.178 0.724 9.239 1.00 . A A . 40 ASP C 1 1 34 40903 1 1 40 ASP CA C 4.554 1.339 8.999 1.00 . A A . 40 ASP CA 1 1 34 40904 1 1 40 ASP CB C 4.909 2.148 10.253 1.00 . A A . 40 ASP CB 1 1 34 40905 1 1 40 ASP CG C 5.950 3.241 10.080 1.00 . A A . 40 ASP CG 1 1 34 40906 1 1 40 ASP H H 3.736 2.942 7.872 1.00 . A A . 40 ASP H 1 1 34 40907 1 1 40 ASP HA H 5.310 0.570 8.826 1.00 . A A . 40 ASP HA 1 1 34 40908 1 1 40 ASP HB2 H 3.998 2.642 10.566 1.00 . A A . 40 ASP HB2 1 1 34 40909 1 1 40 ASP HB3 H 5.238 1.469 11.039 1.00 . A A . 40 ASP HB3 1 1 34 40910 1 1 40 ASP N N 4.424 2.205 7.840 1.00 . A A . 40 ASP N 1 1 34 40911 1 1 40 ASP O O 2.174 1.282 8.792 1.00 . A A . 40 ASP O 1 1 34 40912 1 1 40 ASP OD1 O 7.042 2.958 9.551 1.00 . A A . 40 ASP OD1 1 1 34 40913 1 1 40 ASP OD2 O 5.619 4.360 10.533 1.00 . A A . 40 ASP OD2 1 1 34 40914 1 1 41 LYS C C 0.830 -0.066 10.895 1.00 . A A . 41 LYS C 1 1 34 40915 1 1 41 LYS CA C 1.868 -1.050 10.358 1.00 . A A . 41 LYS CA 1 1 34 40916 1 1 41 LYS CB C 2.204 -2.182 11.334 1.00 . A A . 41 LYS CB 1 1 34 40917 1 1 41 LYS CD C 0.655 -2.615 13.300 1.00 . A A . 41 LYS CD 1 1 34 40918 1 1 41 LYS CE C 1.659 -3.260 14.273 1.00 . A A . 41 LYS CE 1 1 34 40919 1 1 41 LYS CG C 1.001 -2.984 11.852 1.00 . A A . 41 LYS CG 1 1 34 40920 1 1 41 LYS H H 3.988 -0.849 10.196 1.00 . A A . 41 LYS H 1 1 34 40921 1 1 41 LYS HA H 1.472 -1.512 9.457 1.00 . A A . 41 LYS HA 1 1 34 40922 1 1 41 LYS HB2 H 2.818 -2.874 10.768 1.00 . A A . 41 LYS HB2 1 1 34 40923 1 1 41 LYS HB3 H 2.807 -1.795 12.153 1.00 . A A . 41 LYS HB3 1 1 34 40924 1 1 41 LYS HD2 H 0.649 -1.527 13.394 1.00 . A A . 41 LYS HD2 1 1 34 40925 1 1 41 LYS HD3 H -0.349 -2.985 13.519 1.00 . A A . 41 LYS HD3 1 1 34 40926 1 1 41 LYS HE2 H 1.460 -4.332 14.324 1.00 . A A . 41 LYS HE2 1 1 34 40927 1 1 41 LYS HE3 H 2.680 -3.129 13.911 1.00 . A A . 41 LYS HE3 1 1 34 40928 1 1 41 LYS HG2 H 0.146 -2.806 11.203 1.00 . A A . 41 LYS HG2 1 1 34 40929 1 1 41 LYS HG3 H 1.226 -4.050 11.796 1.00 . A A . 41 LYS HG3 1 1 34 40930 1 1 41 LYS HZ1 H 2.237 -3.149 16.236 1.00 . A A . 41 LYS HZ1 1 1 34 40931 1 1 41 LYS HZ2 H 1.811 -1.698 15.600 1.00 . A A . 41 LYS HZ2 1 1 34 40932 1 1 41 LYS HZ3 H 0.646 -2.792 16.007 1.00 . A A . 41 LYS HZ3 1 1 34 40933 1 1 41 LYS N N 3.104 -0.363 10.007 1.00 . A A . 41 LYS N 1 1 34 40934 1 1 41 LYS NZ N 1.577 -2.681 15.629 1.00 . A A . 41 LYS NZ 1 1 34 40935 1 1 41 LYS O O -0.328 -0.102 10.480 1.00 . A A . 41 LYS O 1 1 34 40936 1 1 42 LYS C C -0.318 2.694 11.260 1.00 . A A . 42 LYS C 1 1 34 40937 1 1 42 LYS CA C 0.416 1.891 12.344 1.00 . A A . 42 LYS CA 1 1 34 40938 1 1 42 LYS CB C 1.227 2.814 13.274 1.00 . A A . 42 LYS CB 1 1 34 40939 1 1 42 LYS CD C 3.125 4.515 13.445 1.00 . A A . 42 LYS CD 1 1 34 40940 1 1 42 LYS CE C 3.025 5.837 12.664 1.00 . A A . 42 LYS CE 1 1 34 40941 1 1 42 LYS CG C 2.531 3.339 12.651 1.00 . A A . 42 LYS CG 1 1 34 40942 1 1 42 LYS H H 2.231 0.784 12.046 1.00 . A A . 42 LYS H 1 1 34 40943 1 1 42 LYS HA H -0.354 1.415 12.954 1.00 . A A . 42 LYS HA 1 1 34 40944 1 1 42 LYS HB2 H 0.587 3.659 13.542 1.00 . A A . 42 LYS HB2 1 1 34 40945 1 1 42 LYS HB3 H 1.474 2.272 14.187 1.00 . A A . 42 LYS HB3 1 1 34 40946 1 1 42 LYS HD2 H 2.588 4.618 14.390 1.00 . A A . 42 LYS HD2 1 1 34 40947 1 1 42 LYS HD3 H 4.170 4.305 13.683 1.00 . A A . 42 LYS HD3 1 1 34 40948 1 1 42 LYS HE2 H 2.040 5.910 12.197 1.00 . A A . 42 LYS HE2 1 1 34 40949 1 1 42 LYS HE3 H 3.129 6.668 13.365 1.00 . A A . 42 LYS HE3 1 1 34 40950 1 1 42 LYS HG2 H 3.259 2.526 12.654 1.00 . A A . 42 LYS HG2 1 1 34 40951 1 1 42 LYS HG3 H 2.343 3.648 11.623 1.00 . A A . 42 LYS HG3 1 1 34 40952 1 1 42 LYS HZ1 H 4.221 5.139 11.062 1.00 . A A . 42 LYS HZ1 1 1 34 40953 1 1 42 LYS HZ2 H 3.904 6.746 11.008 1.00 . A A . 42 LYS HZ2 1 1 34 40954 1 1 42 LYS HZ3 H 4.993 6.093 12.045 1.00 . A A . 42 LYS HZ3 1 1 34 40955 1 1 42 LYS N N 1.256 0.831 11.791 1.00 . A A . 42 LYS N 1 1 34 40956 1 1 42 LYS NZ N 4.079 5.976 11.634 1.00 . A A . 42 LYS NZ 1 1 34 40957 1 1 42 LYS O O -1.430 3.164 11.493 1.00 . A A . 42 LYS O 1 1 34 40958 1 1 43 SER C C -1.087 2.441 8.152 1.00 . A A . 43 SER C 1 1 34 40959 1 1 43 SER CA C -0.312 3.507 8.940 1.00 . A A . 43 SER CA 1 1 34 40960 1 1 43 SER CB C 0.792 4.176 8.096 1.00 . A A . 43 SER CB 1 1 34 40961 1 1 43 SER H H 1.201 2.437 9.926 1.00 . A A . 43 SER H 1 1 34 40962 1 1 43 SER HA H -1.003 4.284 9.273 1.00 . A A . 43 SER HA 1 1 34 40963 1 1 43 SER HB2 H 1.338 3.437 7.509 1.00 . A A . 43 SER HB2 1 1 34 40964 1 1 43 SER HB3 H 0.324 4.872 7.401 1.00 . A A . 43 SER HB3 1 1 34 40965 1 1 43 SER HG H 2.487 5.128 8.358 1.00 . A A . 43 SER HG 1 1 34 40966 1 1 43 SER N N 0.299 2.867 10.088 1.00 . A A . 43 SER N 1 1 34 40967 1 1 43 SER O O -2.316 2.473 8.068 1.00 . A A . 43 SER O 1 1 34 40968 1 1 43 SER OG O 1.739 4.856 8.909 1.00 . A A . 43 SER OG 1 1 34 40969 1 1 44 ALA C C -2.023 -0.257 7.095 1.00 . A A . 44 ALA C 1 1 34 40970 1 1 44 ALA CA C -0.731 0.431 6.684 1.00 . A A . 44 ALA CA 1 1 34 40971 1 1 44 ALA CB C 0.394 -0.597 6.600 1.00 . A A . 44 ALA CB 1 1 34 40972 1 1 44 ALA H H 0.654 1.510 7.830 1.00 . A A . 44 ALA H 1 1 34 40973 1 1 44 ALA HA H -0.850 0.847 5.690 1.00 . A A . 44 ALA HA 1 1 34 40974 1 1 44 ALA HB1 H 0.154 -1.316 5.817 1.00 . A A . 44 ALA HB1 1 1 34 40975 1 1 44 ALA HB2 H 1.335 -0.093 6.380 1.00 . A A . 44 ALA HB2 1 1 34 40976 1 1 44 ALA HB3 H 0.503 -1.129 7.540 1.00 . A A . 44 ALA HB3 1 1 34 40977 1 1 44 ALA N N -0.330 1.486 7.600 1.00 . A A . 44 ALA N 1 1 34 40978 1 1 44 ALA O O -2.975 -0.316 6.316 1.00 . A A . 44 ALA O 1 1 34 40979 1 1 45 HIS C C -4.265 -0.791 9.311 1.00 . A A . 45 HIS C 1 1 34 40980 1 1 45 HIS CA C -3.099 -1.636 8.810 1.00 . A A . 45 HIS CA 1 1 34 40981 1 1 45 HIS CB C -2.570 -2.565 9.907 1.00 . A A . 45 HIS CB 1 1 34 40982 1 1 45 HIS CD2 C -0.816 -4.114 8.765 1.00 . A A . 45 HIS CD2 1 1 34 40983 1 1 45 HIS CE1 C -1.985 -5.962 8.776 1.00 . A A . 45 HIS CE1 1 1 34 40984 1 1 45 HIS CG C -2.027 -3.864 9.369 1.00 . A A . 45 HIS CG 1 1 34 40985 1 1 45 HIS H H -1.233 -0.623 8.924 1.00 . A A . 45 HIS H 1 1 34 40986 1 1 45 HIS HA H -3.485 -2.259 8.006 1.00 . A A . 45 HIS HA 1 1 34 40987 1 1 45 HIS HB2 H -1.834 -2.057 10.523 1.00 . A A . 45 HIS HB2 1 1 34 40988 1 1 45 HIS HB3 H -3.402 -2.828 10.563 1.00 . A A . 45 HIS HB3 1 1 34 40989 1 1 45 HIS HD1 H -3.677 -5.162 9.728 1.00 . A A . 45 HIS HD1 1 1 34 40990 1 1 45 HIS HD2 H -0.021 -3.406 8.592 1.00 . A A . 45 HIS HD2 1 1 34 40991 1 1 45 HIS HE1 H -2.311 -6.975 8.643 1.00 . A A . 45 HIS HE1 1 1 34 40992 1 1 45 HIS N N -2.019 -0.811 8.305 1.00 . A A . 45 HIS N 1 1 34 40993 1 1 45 HIS ND1 N -2.746 -5.031 9.359 1.00 . A A . 45 HIS ND1 1 1 34 40994 1 1 45 HIS NE2 N -0.795 -5.467 8.395 1.00 . A A . 45 HIS NE2 1 1 34 40995 1 1 45 HIS O O -5.353 -1.331 9.504 1.00 . A A . 45 HIS O 1 1 34 40996 1 1 46 LYS C C -5.790 1.969 8.761 1.00 . A A . 46 LYS C 1 1 34 40997 1 1 46 LYS CA C -5.098 1.397 9.995 1.00 . A A . 46 LYS CA 1 1 34 40998 1 1 46 LYS CB C -4.497 2.446 10.943 1.00 . A A . 46 LYS CB 1 1 34 40999 1 1 46 LYS CD C -5.688 4.707 11.015 1.00 . A A . 46 LYS CD 1 1 34 41000 1 1 46 LYS CE C -4.505 5.626 11.351 1.00 . A A . 46 LYS CE 1 1 34 41001 1 1 46 LYS CG C -5.559 3.314 11.640 1.00 . A A . 46 LYS CG 1 1 34 41002 1 1 46 LYS H H -3.170 0.929 9.255 1.00 . A A . 46 LYS H 1 1 34 41003 1 1 46 LYS HA H -5.834 0.829 10.566 1.00 . A A . 46 LYS HA 1 1 34 41004 1 1 46 LYS HB2 H -3.960 1.903 11.723 1.00 . A A . 46 LYS HB2 1 1 34 41005 1 1 46 LYS HB3 H -3.774 3.057 10.406 1.00 . A A . 46 LYS HB3 1 1 34 41006 1 1 46 LYS HD2 H -5.774 4.586 9.941 1.00 . A A . 46 LYS HD2 1 1 34 41007 1 1 46 LYS HD3 H -6.621 5.155 11.368 1.00 . A A . 46 LYS HD3 1 1 34 41008 1 1 46 LYS HE2 H -4.483 5.801 12.429 1.00 . A A . 46 LYS HE2 1 1 34 41009 1 1 46 LYS HE3 H -3.563 5.155 11.063 1.00 . A A . 46 LYS HE3 1 1 34 41010 1 1 46 LYS HG2 H -6.531 2.818 11.577 1.00 . A A . 46 LYS HG2 1 1 34 41011 1 1 46 LYS HG3 H -5.306 3.419 12.696 1.00 . A A . 46 LYS HG3 1 1 34 41012 1 1 46 LYS HZ1 H -3.834 7.510 10.882 1.00 . A A . 46 LYS HZ1 1 1 34 41013 1 1 46 LYS HZ2 H -4.625 6.764 9.646 1.00 . A A . 46 LYS HZ2 1 1 34 41014 1 1 46 LYS HZ3 H -5.477 7.381 10.908 1.00 . A A . 46 LYS HZ3 1 1 34 41015 1 1 46 LYS N N -4.049 0.510 9.533 1.00 . A A . 46 LYS N 1 1 34 41016 1 1 46 LYS NZ N -4.618 6.917 10.646 1.00 . A A . 46 LYS NZ 1 1 34 41017 1 1 46 LYS O O -6.879 1.517 8.415 1.00 . A A . 46 LYS O 1 1 34 41018 1 1 47 ASP C C -4.568 4.037 6.005 1.00 . A A . 47 ASP C 1 1 34 41019 1 1 47 ASP CA C -5.695 3.608 6.930 1.00 . A A . 47 ASP CA 1 1 34 41020 1 1 47 ASP CB C -6.600 4.785 7.317 1.00 . A A . 47 ASP CB 1 1 34 41021 1 1 47 ASP CG C -7.920 4.342 7.938 1.00 . A A . 47 ASP CG 1 1 34 41022 1 1 47 ASP H H -4.158 3.083 8.276 1.00 . A A . 47 ASP H 1 1 34 41023 1 1 47 ASP HA H -6.299 2.912 6.365 1.00 . A A . 47 ASP HA 1 1 34 41024 1 1 47 ASP HB2 H -6.075 5.486 7.960 1.00 . A A . 47 ASP HB2 1 1 34 41025 1 1 47 ASP HB3 H -6.845 5.313 6.401 1.00 . A A . 47 ASP HB3 1 1 34 41026 1 1 47 ASP N N -5.139 2.918 8.079 1.00 . A A . 47 ASP N 1 1 34 41027 1 1 47 ASP O O -4.280 5.222 5.849 1.00 . A A . 47 ASP O 1 1 34 41028 1 1 47 ASP OD1 O -8.694 3.662 7.224 1.00 . A A . 47 ASP OD1 1 1 34 41029 1 1 47 ASP OD2 O -8.117 4.700 9.120 1.00 . A A . 47 ASP OD2 1 1 34 41030 1 1 48 ALA C C -3.584 2.015 3.243 1.00 . A A . 48 ALA C 1 1 34 41031 1 1 48 ALA CA C -3.280 3.239 4.099 1.00 . A A . 48 ALA CA 1 1 34 41032 1 1 48 ALA CB C -1.786 3.515 4.321 1.00 . A A . 48 ALA CB 1 1 34 41033 1 1 48 ALA H H -4.203 2.099 5.624 1.00 . A A . 48 ALA H 1 1 34 41034 1 1 48 ALA HA H -3.704 4.102 3.585 1.00 . A A . 48 ALA HA 1 1 34 41035 1 1 48 ALA HB1 H -1.667 4.512 4.747 1.00 . A A . 48 ALA HB1 1 1 34 41036 1 1 48 ALA HB2 H -1.345 2.802 5.013 1.00 . A A . 48 ALA HB2 1 1 34 41037 1 1 48 ALA HB3 H -1.254 3.477 3.369 1.00 . A A . 48 ALA HB3 1 1 34 41038 1 1 48 ALA N N -3.963 3.045 5.360 1.00 . A A . 48 ALA N 1 1 34 41039 1 1 48 ALA O O -4.553 2.011 2.486 1.00 . A A . 48 ALA O 1 1 34 41040 1 1 49 CYS C C -4.242 -0.962 2.882 1.00 . A A . 49 CYS C 1 1 34 41041 1 1 49 CYS CA C -2.932 -0.236 2.573 1.00 . A A . 49 CYS CA 1 1 34 41042 1 1 49 CYS CB C -1.737 -1.141 2.747 1.00 . A A . 49 CYS CB 1 1 34 41043 1 1 49 CYS H H -2.064 0.981 4.088 1.00 . A A . 49 CYS H 1 1 34 41044 1 1 49 CYS HA H -2.987 0.070 1.534 1.00 . A A . 49 CYS HA 1 1 34 41045 1 1 49 CYS HB2 H -1.833 -1.641 3.700 1.00 . A A . 49 CYS HB2 1 1 34 41046 1 1 49 CYS HB3 H -1.741 -1.894 1.961 1.00 . A A . 49 CYS HB3 1 1 34 41047 1 1 49 CYS N N -2.800 0.951 3.401 1.00 . A A . 49 CYS N 1 1 34 41048 1 1 49 CYS O O -5.107 -1.129 2.023 1.00 . A A . 49 CYS O 1 1 34 41049 1 1 49 CYS SG S -0.118 -0.305 2.796 1.00 . A A . 49 CYS SG 1 1 34 41050 1 1 50 LYS C C -6.810 -1.509 4.748 1.00 . A A . 50 LYS C 1 1 34 41051 1 1 50 LYS CA C -5.500 -2.284 4.535 1.00 . A A . 50 LYS CA 1 1 34 41052 1 1 50 LYS CB C -5.023 -3.087 5.766 1.00 . A A . 50 LYS CB 1 1 34 41053 1 1 50 LYS CD C -6.662 -5.045 6.016 1.00 . A A . 50 LYS CD 1 1 34 41054 1 1 50 LYS CE C -6.759 -6.573 5.867 1.00 . A A . 50 LYS CE 1 1 34 41055 1 1 50 LYS CG C -5.236 -4.605 5.667 1.00 . A A . 50 LYS CG 1 1 34 41056 1 1 50 LYS H H -3.756 -1.098 4.845 1.00 . A A . 50 LYS H 1 1 34 41057 1 1 50 LYS HA H -5.673 -2.982 3.715 1.00 . A A . 50 LYS HA 1 1 34 41058 1 1 50 LYS HB2 H -3.940 -2.967 5.845 1.00 . A A . 50 LYS HB2 1 1 34 41059 1 1 50 LYS HB3 H -5.458 -2.696 6.687 1.00 . A A . 50 LYS HB3 1 1 34 41060 1 1 50 LYS HD2 H -6.869 -4.739 7.044 1.00 . A A . 50 LYS HD2 1 1 34 41061 1 1 50 LYS HD3 H -7.370 -4.548 5.348 1.00 . A A . 50 LYS HD3 1 1 34 41062 1 1 50 LYS HE2 H -6.675 -6.836 4.811 1.00 . A A . 50 LYS HE2 1 1 34 41063 1 1 50 LYS HE3 H -5.931 -7.046 6.403 1.00 . A A . 50 LYS HE3 1 1 34 41064 1 1 50 LYS HG2 H -4.968 -4.952 4.669 1.00 . A A . 50 LYS HG2 1 1 34 41065 1 1 50 LYS HG3 H -4.547 -5.071 6.376 1.00 . A A . 50 LYS HG3 1 1 34 41066 1 1 50 LYS HZ1 H -8.099 -6.919 7.390 1.00 . A A . 50 LYS HZ1 1 1 34 41067 1 1 50 LYS HZ2 H -8.814 -6.727 5.915 1.00 . A A . 50 LYS HZ2 1 1 34 41068 1 1 50 LYS HZ3 H -8.025 -8.125 6.278 1.00 . A A . 50 LYS HZ3 1 1 34 41069 1 1 50 LYS N N -4.425 -1.383 4.136 1.00 . A A . 50 LYS N 1 1 34 41070 1 1 50 LYS NZ N -8.021 -7.122 6.402 1.00 . A A . 50 LYS NZ 1 1 34 41071 1 1 50 LYS O O -7.584 -1.810 5.661 1.00 . A A . 50 LYS O 1 1 34 41072 1 1 51 THR C C -8.895 0.532 2.553 1.00 . A A . 51 THR C 1 1 34 41073 1 1 51 THR CA C -8.306 0.268 3.931 1.00 . A A . 51 THR CA 1 1 34 41074 1 1 51 THR CB C -8.180 1.475 4.870 1.00 . A A . 51 THR CB 1 1 34 41075 1 1 51 THR CG2 C -7.970 2.799 4.122 1.00 . A A . 51 THR CG2 1 1 34 41076 1 1 51 THR H H -6.450 -0.399 3.103 1.00 . A A . 51 THR H 1 1 34 41077 1 1 51 THR HA H -9.048 -0.362 4.370 1.00 . A A . 51 THR HA 1 1 34 41078 1 1 51 THR HB H -7.329 1.290 5.524 1.00 . A A . 51 THR HB 1 1 34 41079 1 1 51 THR HG1 H -9.184 2.318 6.303 1.00 . A A . 51 THR HG1 1 1 34 41080 1 1 51 THR HG21 H -8.826 3.023 3.486 1.00 . A A . 51 THR HG21 1 1 34 41081 1 1 51 THR HG22 H -7.864 3.620 4.829 1.00 . A A . 51 THR HG22 1 1 34 41082 1 1 51 THR HG23 H -7.066 2.747 3.516 1.00 . A A . 51 THR HG23 1 1 34 41083 1 1 51 THR N N -7.088 -0.527 3.882 1.00 . A A . 51 THR N 1 1 34 41084 1 1 51 THR O O -10.088 0.311 2.356 1.00 . A A . 51 THR O 1 1 34 41085 1 1 51 THR OG1 O -9.316 1.541 5.718 1.00 . A A . 51 THR OG1 1 1 34 41086 1 1 52 CYS C C -9.062 -0.441 -0.198 1.00 . A A . 52 CYS C 1 1 34 41087 1 1 52 CYS CA C -8.531 0.932 0.201 1.00 . A A . 52 CYS CA 1 1 34 41088 1 1 52 CYS CB C -7.403 1.310 -0.706 1.00 . A A . 52 CYS CB 1 1 34 41089 1 1 52 CYS H H -7.101 1.123 1.771 1.00 . A A . 52 CYS H 1 1 34 41090 1 1 52 CYS HA H -9.347 1.649 0.089 1.00 . A A . 52 CYS HA 1 1 34 41091 1 1 52 CYS HB2 H -6.453 0.958 -0.303 1.00 . A A . 52 CYS HB2 1 1 34 41092 1 1 52 CYS HB3 H -7.559 0.823 -1.667 1.00 . A A . 52 CYS HB3 1 1 34 41093 1 1 52 CYS N N -8.072 0.915 1.579 1.00 . A A . 52 CYS N 1 1 34 41094 1 1 52 CYS O O -10.148 -0.549 -0.769 1.00 . A A . 52 CYS O 1 1 34 41095 1 1 52 CYS SG S -7.358 3.099 -0.999 1.00 . A A . 52 CYS SG 1 1 34 41096 1 1 53 HIS C C -9.798 -3.482 0.371 1.00 . A A . 53 HIS C 1 1 34 41097 1 1 53 HIS CA C -8.647 -2.822 -0.424 1.00 . A A . 53 HIS CA 1 1 34 41098 1 1 53 HIS CB C -7.426 -3.758 -0.428 1.00 . A A . 53 HIS CB 1 1 34 41099 1 1 53 HIS CD2 C -5.696 -2.297 -1.764 1.00 . A A . 53 HIS CD2 1 1 34 41100 1 1 53 HIS CE1 C -3.899 -3.395 -1.172 1.00 . A A . 53 HIS CE1 1 1 34 41101 1 1 53 HIS CG C -6.063 -3.285 -0.878 1.00 . A A . 53 HIS CG 1 1 34 41102 1 1 53 HIS H H -7.411 -1.369 0.541 1.00 . A A . 53 HIS H 1 1 34 41103 1 1 53 HIS HA H -8.969 -2.697 -1.456 1.00 . A A . 53 HIS HA 1 1 34 41104 1 1 53 HIS HB2 H -7.295 -4.113 0.593 1.00 . A A . 53 HIS HB2 1 1 34 41105 1 1 53 HIS HB3 H -7.695 -4.620 -1.042 1.00 . A A . 53 HIS HB3 1 1 34 41106 1 1 53 HIS HD1 H -4.858 -4.805 0.022 1.00 . A A . 53 HIS HD1 1 1 34 41107 1 1 53 HIS HD2 H -6.314 -1.581 -2.278 1.00 . A A . 53 HIS HD2 1 1 34 41108 1 1 53 HIS HE1 H -2.879 -3.730 -1.135 1.00 . A A . 53 HIS HE1 1 1 34 41109 1 1 53 HIS N N -8.304 -1.504 0.086 1.00 . A A . 53 HIS N 1 1 34 41110 1 1 53 HIS ND1 N -4.923 -3.964 -0.526 1.00 . A A . 53 HIS ND1 1 1 34 41111 1 1 53 HIS NE2 N -4.307 -2.382 -1.940 1.00 . A A . 53 HIS NE2 1 1 34 41112 1 1 53 HIS O O -9.677 -4.643 0.758 1.00 . A A . 53 HIS O 1 1 34 41113 1 1 54 LYS C C -13.220 -3.230 -0.001 1.00 . A A . 54 LYS C 1 1 34 41114 1 1 54 LYS CA C -12.162 -3.363 1.107 1.00 . A A . 54 LYS CA 1 1 34 41115 1 1 54 LYS CB C -12.633 -2.679 2.411 1.00 . A A . 54 LYS CB 1 1 34 41116 1 1 54 LYS CD C -11.014 -1.983 4.298 1.00 . A A . 54 LYS CD 1 1 34 41117 1 1 54 LYS CE C -10.968 -2.000 5.844 1.00 . A A . 54 LYS CE 1 1 34 41118 1 1 54 LYS CG C -11.904 -3.090 3.707 1.00 . A A . 54 LYS CG 1 1 34 41119 1 1 54 LYS H H -10.940 -1.822 0.283 1.00 . A A . 54 LYS H 1 1 34 41120 1 1 54 LYS HA H -12.055 -4.431 1.301 1.00 . A A . 54 LYS HA 1 1 34 41121 1 1 54 LYS HB2 H -12.633 -1.598 2.271 1.00 . A A . 54 LYS HB2 1 1 34 41122 1 1 54 LYS HB3 H -13.670 -2.981 2.573 1.00 . A A . 54 LYS HB3 1 1 34 41123 1 1 54 LYS HD2 H -10.027 -2.138 3.861 1.00 . A A . 54 LYS HD2 1 1 34 41124 1 1 54 LYS HD3 H -11.402 -1.009 3.993 1.00 . A A . 54 LYS HD3 1 1 34 41125 1 1 54 LYS HE2 H -11.976 -1.809 6.218 1.00 . A A . 54 LYS HE2 1 1 34 41126 1 1 54 LYS HE3 H -10.658 -2.992 6.180 1.00 . A A . 54 LYS HE3 1 1 34 41127 1 1 54 LYS HG2 H -12.675 -3.337 4.439 1.00 . A A . 54 LYS HG2 1 1 34 41128 1 1 54 LYS HG3 H -11.311 -3.989 3.528 1.00 . A A . 54 LYS HG3 1 1 34 41129 1 1 54 LYS HZ1 H -10.168 -0.945 7.448 1.00 . A A . 54 LYS HZ1 1 1 34 41130 1 1 54 LYS HZ2 H -9.085 -1.255 6.262 1.00 . A A . 54 LYS HZ2 1 1 34 41131 1 1 54 LYS HZ3 H -10.165 -0.045 6.078 1.00 . A A . 54 LYS HZ3 1 1 34 41132 1 1 54 LYS N N -10.910 -2.780 0.622 1.00 . A A . 54 LYS N 1 1 34 41133 1 1 54 LYS NZ N -10.052 -0.992 6.446 1.00 . A A . 54 LYS NZ 1 1 34 41134 1 1 54 LYS O O -14.324 -2.751 0.246 1.00 . A A . 54 LYS O 1 1 34 41135 1 1 55 SER C C -13.239 -4.359 -3.546 1.00 . A A . 55 SER C 1 1 34 41136 1 1 55 SER CA C -13.824 -3.598 -2.356 1.00 . A A . 55 SER CA 1 1 34 41137 1 1 55 SER CB C -14.158 -2.141 -2.730 1.00 . A A . 55 SER CB 1 1 34 41138 1 1 55 SER H H -11.988 -4.071 -1.373 1.00 . A A . 55 SER H 1 1 34 41139 1 1 55 SER HA H -14.749 -4.098 -2.061 1.00 . A A . 55 SER HA 1 1 34 41140 1 1 55 SER HB2 H -14.646 -1.631 -1.900 1.00 . A A . 55 SER HB2 1 1 34 41141 1 1 55 SER HB3 H -13.245 -1.597 -2.977 1.00 . A A . 55 SER HB3 1 1 34 41142 1 1 55 SER HG H -15.855 -2.529 -3.620 1.00 . A A . 55 SER HG 1 1 34 41143 1 1 55 SER N N -12.893 -3.643 -1.229 1.00 . A A . 55 SER N 1 1 34 41144 1 1 55 SER O O -13.835 -5.317 -4.029 1.00 . A A . 55 SER O 1 1 34 41145 1 1 55 SER OG O -15.028 -2.091 -3.842 1.00 . A A . 55 SER OG 1 1 34 41146 1 1 56 ASN C C -11.270 -5.950 -5.222 1.00 . A A . 56 ASN C 1 1 34 41147 1 1 56 ASN CA C -11.413 -4.427 -5.214 1.00 . A A . 56 ASN CA 1 1 34 41148 1 1 56 ASN CB C -10.062 -3.729 -5.443 1.00 . A A . 56 ASN CB 1 1 34 41149 1 1 56 ASN CG C -9.073 -3.819 -4.279 1.00 . A A . 56 ASN CG 1 1 34 41150 1 1 56 ASN H H -11.632 -3.142 -3.535 1.00 . A A . 56 ASN H 1 1 34 41151 1 1 56 ASN HA H -12.052 -4.169 -6.060 1.00 . A A . 56 ASN HA 1 1 34 41152 1 1 56 ASN HB2 H -9.598 -4.162 -6.332 1.00 . A A . 56 ASN HB2 1 1 34 41153 1 1 56 ASN HB3 H -10.255 -2.674 -5.643 1.00 . A A . 56 ASN HB3 1 1 34 41154 1 1 56 ASN HD21 H -7.695 -2.835 -5.369 1.00 . A A . 56 ASN HD21 1 1 34 41155 1 1 56 ASN HD22 H -7.195 -3.200 -3.737 1.00 . A A . 56 ASN HD22 1 1 34 41156 1 1 56 ASN N N -12.067 -3.915 -4.012 1.00 . A A . 56 ASN N 1 1 34 41157 1 1 56 ASN ND2 N -7.899 -3.224 -4.462 1.00 . A A . 56 ASN ND2 1 1 34 41158 1 1 56 ASN O O -11.581 -6.587 -6.225 1.00 . A A . 56 ASN O 1 1 34 41159 1 1 56 ASN OD1 O -9.366 -4.370 -3.219 1.00 . A A . 56 ASN OD1 1 1 34 41160 1 1 57 ASN C C -11.256 -8.387 -2.625 1.00 . A A . 57 ASN C 1 1 34 41161 1 1 57 ASN CA C -10.640 -7.969 -3.959 1.00 . A A . 57 ASN CA 1 1 34 41162 1 1 57 ASN CB C -9.152 -8.337 -4.043 1.00 . A A . 57 ASN CB 1 1 34 41163 1 1 57 ASN CG C -8.912 -9.846 -4.102 1.00 . A A . 57 ASN CG 1 1 34 41164 1 1 57 ASN H H -10.534 -5.938 -3.338 1.00 . A A . 57 ASN H 1 1 34 41165 1 1 57 ASN HA H -11.177 -8.486 -4.757 1.00 . A A . 57 ASN HA 1 1 34 41166 1 1 57 ASN HB2 H -8.733 -7.898 -4.951 1.00 . A A . 57 ASN HB2 1 1 34 41167 1 1 57 ASN HB3 H -8.632 -7.921 -3.180 1.00 . A A . 57 ASN HB3 1 1 34 41168 1 1 57 ASN HD21 H -6.898 -9.599 -3.922 1.00 . A A . 57 ASN HD21 1 1 34 41169 1 1 57 ASN HD22 H -7.471 -11.252 -4.053 1.00 . A A . 57 ASN HD22 1 1 34 41170 1 1 57 ASN N N -10.791 -6.531 -4.120 1.00 . A A . 57 ASN N 1 1 34 41171 1 1 57 ASN ND2 N -7.653 -10.262 -4.005 1.00 . A A . 57 ASN ND2 1 1 34 41172 1 1 57 ASN O O -11.339 -7.581 -1.698 1.00 . A A . 57 ASN O 1 1 34 41173 1 1 57 ASN OD1 O -9.841 -10.636 -4.244 1.00 . A A . 57 ASN OD1 1 1 34 41174 1 1 58 GLY C C -11.140 -10.348 -0.266 1.00 . A A . 58 GLY C 1 1 34 41175 1 1 58 GLY CA C -12.253 -10.188 -1.304 1.00 . A A . 58 GLY CA 1 1 34 41176 1 1 58 GLY H H -11.466 -10.281 -3.281 1.00 . A A . 58 GLY H 1 1 34 41177 1 1 58 GLY HA2 H -13.048 -9.526 -0.965 1.00 . A A . 58 GLY HA2 1 1 34 41178 1 1 58 GLY HA3 H -12.680 -11.168 -1.515 1.00 . A A . 58 GLY HA3 1 1 34 41179 1 1 58 GLY N N -11.696 -9.642 -2.527 1.00 . A A . 58 GLY N 1 1 34 41180 1 1 58 GLY O O -10.052 -10.810 -0.613 1.00 . A A . 58 GLY O 1 1 34 41181 1 1 59 PRO C C -10.136 -11.638 2.306 1.00 . A A . 59 PRO C 1 1 34 41182 1 1 59 PRO CA C -10.373 -10.149 2.043 1.00 . A A . 59 PRO CA 1 1 34 41183 1 1 59 PRO CB C -10.906 -9.385 3.258 1.00 . A A . 59 PRO CB 1 1 34 41184 1 1 59 PRO CD C -12.584 -9.386 1.539 1.00 . A A . 59 PRO CD 1 1 34 41185 1 1 59 PRO CG C -12.422 -9.422 3.060 1.00 . A A . 59 PRO CG 1 1 34 41186 1 1 59 PRO HA H -9.426 -9.706 1.731 1.00 . A A . 59 PRO HA 1 1 34 41187 1 1 59 PRO HB2 H -10.598 -9.826 4.207 1.00 . A A . 59 PRO HB2 1 1 34 41188 1 1 59 PRO HB3 H -10.568 -8.350 3.194 1.00 . A A . 59 PRO HB3 1 1 34 41189 1 1 59 PRO HD2 H -13.474 -9.948 1.251 1.00 . A A . 59 PRO HD2 1 1 34 41190 1 1 59 PRO HD3 H -12.662 -8.353 1.195 1.00 . A A . 59 PRO HD3 1 1 34 41191 1 1 59 PRO HG2 H -12.812 -10.365 3.442 1.00 . A A . 59 PRO HG2 1 1 34 41192 1 1 59 PRO HG3 H -12.923 -8.583 3.546 1.00 . A A . 59 PRO HG3 1 1 34 41193 1 1 59 PRO N N -11.368 -9.972 1.003 1.00 . A A . 59 PRO N 1 1 34 41194 1 1 59 PRO O O -10.958 -12.492 1.978 1.00 . A A . 59 PRO O 1 1 34 41195 1 1 60 THR C C -7.418 -13.434 3.994 1.00 . A A . 60 THR C 1 1 34 41196 1 1 60 THR CA C -8.422 -13.309 2.836 1.00 . A A . 60 THR CA 1 1 34 41197 1 1 60 THR CB C -7.945 -13.585 1.385 1.00 . A A . 60 THR CB 1 1 34 41198 1 1 60 THR CG2 C -6.502 -14.033 1.145 1.00 . A A . 60 THR CG2 1 1 34 41199 1 1 60 THR H H -8.317 -11.210 3.074 1.00 . A A . 60 THR H 1 1 34 41200 1 1 60 THR HA H -9.224 -14.008 3.078 1.00 . A A . 60 THR HA 1 1 34 41201 1 1 60 THR HB H -8.040 -12.666 0.799 1.00 . A A . 60 THR HB 1 1 34 41202 1 1 60 THR HG1 H -9.725 -14.110 0.834 1.00 . A A . 60 THR HG1 1 1 34 41203 1 1 60 THR HG21 H -5.819 -13.283 1.541 1.00 . A A . 60 THR HG21 1 1 34 41204 1 1 60 THR HG22 H -6.309 -15.001 1.604 1.00 . A A . 60 THR HG22 1 1 34 41205 1 1 60 THR HG23 H -6.329 -14.111 0.071 1.00 . A A . 60 THR HG23 1 1 34 41206 1 1 60 THR N N -8.960 -11.953 2.849 1.00 . A A . 60 THR N 1 1 34 41207 1 1 60 THR O O -6.361 -14.054 3.917 1.00 . A A . 60 THR O 1 1 34 41208 1 1 60 THR OG1 O -8.843 -14.498 0.794 1.00 . A A . 60 THR OG1 1 1 34 41209 1 1 61 LYS C C -5.693 -11.684 5.748 1.00 . A A . 61 LYS C 1 1 34 41210 1 1 61 LYS CA C -6.901 -12.497 6.226 1.00 . A A . 61 LYS CA 1 1 34 41211 1 1 61 LYS CB C -6.526 -13.751 7.031 1.00 . A A . 61 LYS CB 1 1 34 41212 1 1 61 LYS CD C -7.561 -15.167 8.806 1.00 . A A . 61 LYS CD 1 1 34 41213 1 1 61 LYS CE C -8.649 -16.168 9.225 1.00 . A A . 61 LYS CE 1 1 34 41214 1 1 61 LYS CG C -7.765 -14.580 7.405 1.00 . A A . 61 LYS CG 1 1 34 41215 1 1 61 LYS H H -8.708 -12.411 5.154 1.00 . A A . 61 LYS H 1 1 34 41216 1 1 61 LYS HA H -7.466 -11.851 6.900 1.00 . A A . 61 LYS HA 1 1 34 41217 1 1 61 LYS HB2 H -5.837 -14.393 6.480 1.00 . A A . 61 LYS HB2 1 1 34 41218 1 1 61 LYS HB3 H -6.016 -13.409 7.933 1.00 . A A . 61 LYS HB3 1 1 34 41219 1 1 61 LYS HD2 H -6.572 -15.623 8.872 1.00 . A A . 61 LYS HD2 1 1 34 41220 1 1 61 LYS HD3 H -7.591 -14.320 9.494 1.00 . A A . 61 LYS HD3 1 1 34 41221 1 1 61 LYS HE2 H -8.560 -16.340 10.300 1.00 . A A . 61 LYS HE2 1 1 34 41222 1 1 61 LYS HE3 H -9.634 -15.741 9.032 1.00 . A A . 61 LYS HE3 1 1 34 41223 1 1 61 LYS HG2 H -8.652 -13.944 7.425 1.00 . A A . 61 LYS HG2 1 1 34 41224 1 1 61 LYS HG3 H -7.903 -15.354 6.651 1.00 . A A . 61 LYS HG3 1 1 34 41225 1 1 61 LYS HZ1 H -7.619 -17.883 8.738 1.00 . A A . 61 LYS HZ1 1 1 34 41226 1 1 61 LYS HZ2 H -9.242 -18.100 8.856 1.00 . A A . 61 LYS HZ2 1 1 34 41227 1 1 61 LYS HZ3 H -8.610 -17.352 7.536 1.00 . A A . 61 LYS HZ3 1 1 34 41228 1 1 61 LYS N N -7.783 -12.808 5.118 1.00 . A A . 61 LYS N 1 1 34 41229 1 1 61 LYS NZ N -8.519 -17.469 8.535 1.00 . A A . 61 LYS NZ 1 1 34 41230 1 1 61 LYS O O -5.709 -10.458 5.869 1.00 . A A . 61 LYS O 1 1 34 41231 1 1 62 CYS C C -3.023 -12.061 3.412 1.00 . A A . 62 CYS C 1 1 34 41232 1 1 62 CYS CA C -3.369 -11.816 4.883 1.00 . A A . 62 CYS CA 1 1 34 41233 1 1 62 CYS CB C -2.319 -12.362 5.833 1.00 . A A . 62 CYS CB 1 1 34 41234 1 1 62 CYS H H -4.854 -13.330 4.967 1.00 . A A . 62 CYS H 1 1 34 41235 1 1 62 CYS HA H -3.434 -10.745 4.970 1.00 . A A . 62 CYS HA 1 1 34 41236 1 1 62 CYS HB2 H -2.060 -13.378 5.532 1.00 . A A . 62 CYS HB2 1 1 34 41237 1 1 62 CYS HB3 H -1.426 -11.737 5.780 1.00 . A A . 62 CYS HB3 1 1 34 41238 1 1 62 CYS N N -4.677 -12.365 5.209 1.00 . A A . 62 CYS N 1 1 34 41239 1 1 62 CYS O O -3.902 -12.007 2.557 1.00 . A A . 62 CYS O 1 1 34 41240 1 1 62 CYS SG S -2.864 -12.460 7.562 1.00 . A A . 62 CYS SG 1 1 34 41241 1 1 63 GLY C C -1.179 -11.616 0.777 1.00 . A A . 63 GLY C 1 1 34 41242 1 1 63 GLY CA C -1.305 -12.755 1.785 1.00 . A A . 63 GLY CA 1 1 34 41243 1 1 63 GLY H H -1.044 -12.185 3.814 1.00 . A A . 63 GLY H 1 1 34 41244 1 1 63 GLY HA2 H -0.333 -13.236 1.897 1.00 . A A . 63 GLY HA2 1 1 34 41245 1 1 63 GLY HA3 H -2.010 -13.492 1.399 1.00 . A A . 63 GLY HA3 1 1 34 41246 1 1 63 GLY N N -1.744 -12.283 3.094 1.00 . A A . 63 GLY N 1 1 34 41247 1 1 63 GLY O O -0.172 -11.509 0.086 1.00 . A A . 63 GLY O 1 1 34 41248 1 1 64 GLY C C -1.017 -8.878 -0.466 1.00 . A A . 64 GLY C 1 1 34 41249 1 1 64 GLY CA C -2.322 -9.635 -0.205 1.00 . A A . 64 GLY CA 1 1 34 41250 1 1 64 GLY H H -3.015 -10.992 1.278 1.00 . A A . 64 GLY H 1 1 34 41251 1 1 64 GLY HA2 H -2.729 -9.991 -1.151 1.00 . A A . 64 GLY HA2 1 1 34 41252 1 1 64 GLY HA3 H -3.030 -8.935 0.241 1.00 . A A . 64 GLY HA3 1 1 34 41253 1 1 64 GLY N N -2.203 -10.761 0.713 1.00 . A A . 64 GLY N 1 1 34 41254 1 1 64 GLY O O -0.741 -8.498 -1.601 1.00 . A A . 64 GLY O 1 1 34 41255 1 1 65 CYS C C 2.152 -8.293 1.053 1.00 . A A . 65 CYS C 1 1 34 41256 1 1 65 CYS CA C 0.848 -7.647 0.579 1.00 . A A . 65 CYS CA 1 1 34 41257 1 1 65 CYS CB C 0.475 -6.467 1.436 1.00 . A A . 65 CYS CB 1 1 34 41258 1 1 65 CYS H H -0.561 -8.964 1.484 1.00 . A A . 65 CYS H 1 1 34 41259 1 1 65 CYS HA H 1.017 -7.281 -0.435 1.00 . A A . 65 CYS HA 1 1 34 41260 1 1 65 CYS HB2 H 0.541 -6.789 2.474 1.00 . A A . 65 CYS HB2 1 1 34 41261 1 1 65 CYS HB3 H 1.180 -5.651 1.281 1.00 . A A . 65 CYS HB3 1 1 34 41262 1 1 65 CYS N N -0.256 -8.604 0.597 1.00 . A A . 65 CYS N 1 1 34 41263 1 1 65 CYS O O 3.195 -8.090 0.434 1.00 . A A . 65 CYS O 1 1 34 41264 1 1 65 CYS SG S -1.224 -5.912 1.051 1.00 . A A . 65 CYS SG 1 1 34 41265 1 1 66 HIS C C 3.304 -11.149 1.968 1.00 . A A . 66 HIS C 1 1 34 41266 1 1 66 HIS CA C 3.219 -9.808 2.683 1.00 . A A . 66 HIS CA 1 1 34 41267 1 1 66 HIS CB C 3.052 -10.116 4.177 1.00 . A A . 66 HIS CB 1 1 34 41268 1 1 66 HIS CD2 C 1.727 -8.579 5.702 1.00 . A A . 66 HIS CD2 1 1 34 41269 1 1 66 HIS CE1 C 3.274 -7.153 6.278 1.00 . A A . 66 HIS CE1 1 1 34 41270 1 1 66 HIS CG C 2.879 -8.922 5.061 1.00 . A A . 66 HIS CG 1 1 34 41271 1 1 66 HIS H H 1.204 -9.161 2.618 1.00 . A A . 66 HIS H 1 1 34 41272 1 1 66 HIS HA H 4.135 -9.237 2.559 1.00 . A A . 66 HIS HA 1 1 34 41273 1 1 66 HIS HB2 H 2.205 -10.788 4.316 1.00 . A A . 66 HIS HB2 1 1 34 41274 1 1 66 HIS HB3 H 3.932 -10.668 4.512 1.00 . A A . 66 HIS HB3 1 1 34 41275 1 1 66 HIS HD1 H 4.803 -7.980 5.101 1.00 . A A . 66 HIS HD1 1 1 34 41276 1 1 66 HIS HD2 H 0.769 -9.057 5.654 1.00 . A A . 66 HIS HD2 1 1 34 41277 1 1 66 HIS HE1 H 3.770 -6.316 6.738 1.00 . A A . 66 HIS HE1 1 1 34 41278 1 1 66 HIS N N 2.092 -9.048 2.160 1.00 . A A . 66 HIS N 1 1 34 41279 1 1 66 HIS ND1 N 3.853 -8.030 5.437 1.00 . A A . 66 HIS ND1 1 1 34 41280 1 1 66 HIS NE2 N 1.977 -7.448 6.463 1.00 . A A . 66 HIS NE2 1 1 34 41281 1 1 66 HIS O O 2.369 -11.940 2.081 1.00 . A A . 66 HIS O 1 1 34 41282 1 1 67 ILE C C 5.271 -13.731 1.826 1.00 . A A . 67 ILE C 1 1 34 41283 1 1 67 ILE CA C 4.648 -12.802 0.776 1.00 . A A . 67 ILE CA 1 1 34 41284 1 1 67 ILE CB C 5.453 -12.757 -0.540 1.00 . A A . 67 ILE CB 1 1 34 41285 1 1 67 ILE CD1 C 6.000 -10.327 -1.021 1.00 . A A . 67 ILE CD1 1 1 34 41286 1 1 67 ILE CG1 C 5.124 -11.525 -1.400 1.00 . A A . 67 ILE CG1 1 1 34 41287 1 1 67 ILE CG2 C 5.117 -14.016 -1.350 1.00 . A A . 67 ILE CG2 1 1 34 41288 1 1 67 ILE H H 5.193 -10.788 1.344 1.00 . A A . 67 ILE H 1 1 34 41289 1 1 67 ILE HA H 3.673 -13.221 0.520 1.00 . A A . 67 ILE HA 1 1 34 41290 1 1 67 ILE HB H 6.524 -12.765 -0.333 1.00 . A A . 67 ILE HB 1 1 34 41291 1 1 67 ILE HD11 H 5.371 -9.448 -0.882 1.00 . A A . 67 ILE HD11 1 1 34 41292 1 1 67 ILE HD12 H 6.545 -10.520 -0.100 1.00 . A A . 67 ILE HD12 1 1 34 41293 1 1 67 ILE HD13 H 6.723 -10.132 -1.812 1.00 . A A . 67 ILE HD13 1 1 34 41294 1 1 67 ILE HG12 H 5.312 -11.746 -2.452 1.00 . A A . 67 ILE HG12 1 1 34 41295 1 1 67 ILE HG13 H 4.068 -11.270 -1.296 1.00 . A A . 67 ILE HG13 1 1 34 41296 1 1 67 ILE HG21 H 4.071 -13.989 -1.657 1.00 . A A . 67 ILE HG21 1 1 34 41297 1 1 67 ILE HG22 H 5.752 -14.070 -2.234 1.00 . A A . 67 ILE HG22 1 1 34 41298 1 1 67 ILE HG23 H 5.280 -14.909 -0.746 1.00 . A A . 67 ILE HG23 1 1 34 41299 1 1 67 ILE N N 4.443 -11.469 1.352 1.00 . A A . 67 ILE N 1 1 34 41300 1 1 67 ILE O O 6.222 -14.461 1.551 1.00 . A A . 67 ILE O 1 1 34 41301 1 1 68 LYS C C 4.335 -14.084 5.383 1.00 . A A . 68 LYS C 1 1 34 41302 1 1 68 LYS CA C 5.237 -14.424 4.202 1.00 . A A . 68 LYS CA 1 1 34 41303 1 1 68 LYS CB C 6.693 -14.036 4.538 1.00 . A A . 68 LYS CB 1 1 34 41304 1 1 68 LYS CD C 7.909 -16.099 3.723 1.00 . A A . 68 LYS CD 1 1 34 41305 1 1 68 LYS CE C 8.993 -17.140 4.032 1.00 . A A . 68 LYS CE 1 1 34 41306 1 1 68 LYS CG C 7.538 -15.247 4.951 1.00 . A A . 68 LYS CG 1 1 34 41307 1 1 68 LYS H H 3.921 -13.125 3.224 1.00 . A A . 68 LYS H 1 1 34 41308 1 1 68 LYS HA H 5.146 -15.489 3.989 1.00 . A A . 68 LYS HA 1 1 34 41309 1 1 68 LYS HB2 H 7.185 -13.532 3.706 1.00 . A A . 68 LYS HB2 1 1 34 41310 1 1 68 LYS HB3 H 6.684 -13.331 5.370 1.00 . A A . 68 LYS HB3 1 1 34 41311 1 1 68 LYS HD2 H 7.021 -16.583 3.312 1.00 . A A . 68 LYS HD2 1 1 34 41312 1 1 68 LYS HD3 H 8.299 -15.435 2.947 1.00 . A A . 68 LYS HD3 1 1 34 41313 1 1 68 LYS HE2 H 9.245 -17.663 3.106 1.00 . A A . 68 LYS HE2 1 1 34 41314 1 1 68 LYS HE3 H 9.891 -16.628 4.385 1.00 . A A . 68 LYS HE3 1 1 34 41315 1 1 68 LYS HG2 H 8.449 -14.864 5.413 1.00 . A A . 68 LYS HG2 1 1 34 41316 1 1 68 LYS HG3 H 6.977 -15.821 5.691 1.00 . A A . 68 LYS HG3 1 1 34 41317 1 1 68 LYS HZ1 H 9.302 -18.791 5.209 1.00 . A A . 68 LYS HZ1 1 1 34 41318 1 1 68 LYS HZ2 H 8.336 -17.659 5.908 1.00 . A A . 68 LYS HZ2 1 1 34 41319 1 1 68 LYS HZ3 H 7.743 -18.623 4.713 1.00 . A A . 68 LYS HZ3 1 1 34 41320 1 1 68 LYS N N 4.748 -13.684 3.052 1.00 . A A . 68 LYS N 1 1 34 41321 1 1 68 LYS NZ N 8.559 -18.126 5.041 1.00 . A A . 68 LYS NZ 1 1 34 41322 1 1 68 LYS O O 4.430 -14.774 6.423 1.00 . A A . 68 LYS O 1 1 34 41323 1 1 68 LYS OXT O 3.649 -13.033 5.318 1.00 . A A . 68 LYS OXT 1 1 34 41324 2 2 1 HEC C1A C 7.783 7.875 -3.070 1.00 . B A . 69 HEC C1A 1 1 34 41325 2 2 1 HEC C1B C 5.489 8.761 -6.580 1.00 . B A . 69 HEC C1B 1 1 34 41326 2 2 1 HEC C1C C 2.312 6.282 -5.161 1.00 . B A . 69 HEC C1C 1 1 34 41327 2 2 1 HEC C1D C 4.585 5.506 -1.634 1.00 . B A . 69 HEC C1D 1 1 34 41328 2 2 1 HEC C2A C 8.895 8.736 -3.394 1.00 . B A . 69 HEC C2A 1 1 34 41329 2 2 1 HEC C2B C 4.822 9.220 -7.779 1.00 . B A . 69 HEC C2B 1 1 34 41330 2 2 1 HEC C2C C 1.108 5.597 -4.758 1.00 . B A . 69 HEC C2C 1 1 34 41331 2 2 1 HEC C2D C 5.208 5.165 -0.384 1.00 . B A . 69 HEC C2D 1 1 34 41332 2 2 1 HEC C3A C 8.641 9.263 -4.633 1.00 . B A . 69 HEC C3A 1 1 34 41333 2 2 1 HEC C3B C 3.604 8.582 -7.836 1.00 . B A . 69 HEC C3B 1 1 34 41334 2 2 1 HEC C3C C 1.327 5.126 -3.480 1.00 . B A . 69 HEC C3C 1 1 34 41335 2 2 1 HEC C3D C 6.504 5.606 -0.429 1.00 . B A . 69 HEC C3D 1 1 34 41336 2 2 1 HEC C4A C 7.332 8.802 -5.029 1.00 . B A . 69 HEC C4A 1 1 34 41337 2 2 1 HEC C4B C 3.540 7.694 -6.693 1.00 . B A . 69 HEC C4B 1 1 34 41338 2 2 1 HEC C4C C 2.693 5.470 -3.129 1.00 . B A . 69 HEC C4C 1 1 34 41339 2 2 1 HEC C4D C 6.602 6.400 -1.624 1.00 . B A . 69 HEC C4D 1 1 34 41340 2 2 1 HEC CAA C 10.099 9.038 -2.534 1.00 . B A . 69 HEC CAA 1 1 34 41341 2 2 1 HEC CAB C 2.417 9.019 -8.673 1.00 . B A . 69 HEC CAB 1 1 34 41342 2 2 1 HEC CAC C 0.275 4.558 -2.540 1.00 . B A . 69 HEC CAC 1 1 34 41343 2 2 1 HEC CAD C 7.598 5.423 0.607 1.00 . B A . 69 HEC CAD 1 1 34 41344 2 2 1 HEC CBA C 11.266 8.074 -2.765 1.00 . B A . 69 HEC CBA 1 1 34 41345 2 2 1 HEC CBB C 2.683 9.250 -10.167 1.00 . B A . 69 HEC CBB 1 1 34 41346 2 2 1 HEC CBC C -0.221 3.157 -2.921 1.00 . B A . 69 HEC CBC 1 1 34 41347 2 2 1 HEC CBD C 7.618 4.129 1.435 1.00 . B A . 69 HEC CBD 1 1 34 41348 2 2 1 HEC CGA C 12.427 8.384 -1.816 1.00 . B A . 69 HEC CGA 1 1 34 41349 2 2 1 HEC CGD C 8.116 4.429 2.840 1.00 . B A . 69 HEC CGD 1 1 34 41350 2 2 1 HEC CHA C 7.693 7.161 -1.904 1.00 . B A . 69 HEC CHA 1 1 34 41351 2 2 1 HEC CHB C 6.725 9.218 -6.180 1.00 . B A . 69 HEC CHB 1 1 34 41352 2 2 1 HEC CHC C 2.425 6.948 -6.359 1.00 . B A . 69 HEC CHC 1 1 34 41353 2 2 1 HEC CHD C 3.300 5.147 -1.923 1.00 . B A . 69 HEC CHD 1 1 34 41354 2 2 1 HEC CMA C 9.556 10.172 -5.423 1.00 . B A . 69 HEC CMA 1 1 34 41355 2 2 1 HEC CMB C 5.311 10.275 -8.749 1.00 . B A . 69 HEC CMB 1 1 34 41356 2 2 1 HEC CMC C -0.187 5.572 -5.554 1.00 . B A . 69 HEC CMC 1 1 34 41357 2 2 1 HEC CMD C 4.520 4.555 0.792 1.00 . B A . 69 HEC CMD 1 1 34 41358 2 2 1 HEC FE FE 5.051 7.038 -4.175 1.00 . B A . 69 HEC FE 1 1 34 41359 2 2 1 HEC HAA1 H 10.453 10.052 -2.726 1.00 . B A . 69 HEC HAA1 1 1 34 41360 2 2 1 HEC HAA2 H 9.826 8.993 -1.484 1.00 . B A . 69 HEC HAA2 1 1 34 41361 2 2 1 HEC HAB H 1.654 8.247 -8.646 1.00 . B A . 69 HEC HAB 1 1 34 41362 2 2 1 HEC HAC H 0.690 4.483 -1.538 1.00 . B A . 69 HEC HAC 1 1 34 41363 2 2 1 HEC HAD1 H 8.567 5.449 0.109 1.00 . B A . 69 HEC HAD1 1 1 34 41364 2 2 1 HEC HAD2 H 7.556 6.264 1.287 1.00 . B A . 69 HEC HAD2 1 1 34 41365 2 2 1 HEC HBA1 H 10.919 7.053 -2.593 1.00 . B A . 69 HEC HBA1 1 1 34 41366 2 2 1 HEC HBA2 H 11.596 8.155 -3.802 1.00 . B A . 69 HEC HBA2 1 1 34 41367 2 2 1 HEC HBB1 H 1.736 9.266 -10.706 1.00 . B A . 69 HEC HBB1 1 1 34 41368 2 2 1 HEC HBB2 H 3.185 10.198 -10.347 1.00 . B A . 69 HEC HBB2 1 1 34 41369 2 2 1 HEC HBB3 H 3.286 8.432 -10.564 1.00 . B A . 69 HEC HBB3 1 1 34 41370 2 2 1 HEC HBC1 H -0.718 3.161 -3.888 1.00 . B A . 69 HEC HBC1 1 1 34 41371 2 2 1 HEC HBC2 H 0.617 2.461 -2.965 1.00 . B A . 69 HEC HBC2 1 1 34 41372 2 2 1 HEC HBC3 H -0.930 2.804 -2.174 1.00 . B A . 69 HEC HBC3 1 1 34 41373 2 2 1 HEC HBD1 H 6.658 3.648 1.549 1.00 . B A . 69 HEC HBD1 1 1 34 41374 2 2 1 HEC HBD2 H 8.262 3.417 0.936 1.00 . B A . 69 HEC HBD2 1 1 34 41375 2 2 1 HEC HHA H 8.465 7.216 -1.157 1.00 . B A . 69 HEC HHA 1 1 34 41376 2 2 1 HEC HHB H 7.232 9.964 -6.750 1.00 . B A . 69 HEC HHB 1 1 34 41377 2 2 1 HEC HHC H 1.579 6.928 -7.018 1.00 . B A . 69 HEC HHC 1 1 34 41378 2 2 1 HEC HHD H 2.796 4.594 -1.148 1.00 . B A . 69 HEC HHD 1 1 34 41379 2 2 1 HEC HMA1 H 9.589 9.846 -6.461 1.00 . B A . 69 HEC HMA1 1 1 34 41380 2 2 1 HEC HMA2 H 9.195 11.199 -5.369 1.00 . B A . 69 HEC HMA2 1 1 34 41381 2 2 1 HEC HMA3 H 10.569 10.130 -5.023 1.00 . B A . 69 HEC HMA3 1 1 34 41382 2 2 1 HEC HMB1 H 4.565 11.067 -8.803 1.00 . B A . 69 HEC HMB1 1 1 34 41383 2 2 1 HEC HMB2 H 6.248 10.730 -8.449 1.00 . B A . 69 HEC HMB2 1 1 34 41384 2 2 1 HEC HMB3 H 5.445 9.823 -9.731 1.00 . B A . 69 HEC HMB3 1 1 34 41385 2 2 1 HEC HMC1 H -0.977 5.016 -5.055 1.00 . B A . 69 HEC HMC1 1 1 34 41386 2 2 1 HEC HMC2 H -0.538 6.595 -5.687 1.00 . B A . 69 HEC HMC2 1 1 34 41387 2 2 1 HEC HMC3 H -0.016 5.126 -6.534 1.00 . B A . 69 HEC HMC3 1 1 34 41388 2 2 1 HEC HMD1 H 3.478 4.863 0.866 1.00 . B A . 69 HEC HMD1 1 1 34 41389 2 2 1 HEC HMD2 H 4.588 3.472 0.705 1.00 . B A . 69 HEC HMD2 1 1 34 41390 2 2 1 HEC HMD3 H 5.038 4.924 1.672 1.00 . B A . 69 HEC HMD3 1 1 34 41391 2 2 1 HEC NA N 6.865 7.956 -4.081 1.00 . B A . 69 HEC NA 1 1 34 41392 2 2 1 HEC NB N 4.681 7.861 -5.961 1.00 . B A . 69 HEC NB 1 1 34 41393 2 2 1 HEC NC N 3.229 6.181 -4.166 1.00 . B A . 69 HEC NC 1 1 34 41394 2 2 1 HEC ND N 5.458 6.254 -2.343 1.00 . B A . 69 HEC ND 1 1 34 41395 2 2 1 HEC O1A O 12.347 7.921 -0.657 1.00 . B A . 69 HEC O1A 1 1 34 41396 2 2 1 HEC O1D O 9.349 4.303 3.057 1.00 . B A . 69 HEC O1D 1 1 34 41397 2 2 1 HEC O2A O 13.346 9.108 -2.253 1.00 . B A . 69 HEC O2A 1 1 34 41398 2 2 1 HEC O2D O 7.264 4.904 3.623 1.00 . B A . 69 HEC O2D 1 1 34 41399 3 2 1 HEC C1A C -2.656 -3.941 -4.758 1.00 . C A . 70 HEC C1A 1 1 34 41400 3 2 1 HEC C1B C -0.711 -2.125 -1.416 1.00 . C A . 70 HEC C1B 1 1 34 41401 3 2 1 HEC C1C C -3.479 1.123 -1.614 1.00 . C A . 70 HEC C1C 1 1 34 41402 3 2 1 HEC C1D C -5.458 -0.719 -4.864 1.00 . C A . 70 HEC C1D 1 1 34 41403 3 2 1 HEC C2A C -1.837 -5.133 -4.788 1.00 . C A . 70 HEC C2A 1 1 34 41404 3 2 1 HEC C2B C 0.054 -1.619 -0.304 1.00 . C A . 70 HEC C2B 1 1 34 41405 3 2 1 HEC C2C C -4.293 2.312 -1.562 1.00 . C A . 70 HEC C2C 1 1 34 41406 3 2 1 HEC C2D C -6.164 -1.132 -6.044 1.00 . C A . 70 HEC C2D 1 1 34 41407 3 2 1 HEC C3A C -0.874 -4.989 -3.818 1.00 . C A . 70 HEC C3A 1 1 34 41408 3 2 1 HEC C3B C -0.500 -0.411 0.050 1.00 . C A . 70 HEC C3B 1 1 34 41409 3 2 1 HEC C3C C -5.297 2.147 -2.484 1.00 . C A . 70 HEC C3C 1 1 34 41410 3 2 1 HEC C3D C -5.615 -2.327 -6.440 1.00 . C A . 70 HEC C3D 1 1 34 41411 3 2 1 HEC C4A C -1.157 -3.767 -3.110 1.00 . C A . 70 HEC C4A 1 1 34 41412 3 2 1 HEC C4B C -1.610 -0.183 -0.850 1.00 . C A . 70 HEC C4B 1 1 34 41413 3 2 1 HEC C4C C -5.033 0.894 -3.157 1.00 . C A . 70 HEC C4C 1 1 34 41414 3 2 1 HEC C4D C -4.509 -2.601 -5.545 1.00 . C A . 70 HEC C4D 1 1 34 41415 3 2 1 HEC CAA C -2.078 -6.378 -5.616 1.00 . C A . 70 HEC CAA 1 1 34 41416 3 2 1 HEC CAB C -0.043 0.507 1.175 1.00 . C A . 70 HEC CAB 1 1 34 41417 3 2 1 HEC CAC C -6.549 2.994 -2.617 1.00 . C A . 70 HEC CAC 1 1 34 41418 3 2 1 HEC CAD C -6.150 -3.201 -7.551 1.00 . C A . 70 HEC CAD 1 1 34 41419 3 2 1 HEC CBA C -1.247 -6.460 -6.901 1.00 . C A . 70 HEC CBA 1 1 34 41420 3 2 1 HEC CBB C 1.337 1.118 0.925 1.00 . C A . 70 HEC CBB 1 1 34 41421 3 2 1 HEC CBC C -6.332 4.353 -3.272 1.00 . C A . 70 HEC CBC 1 1 34 41422 3 2 1 HEC CBD C -5.573 -2.856 -8.928 1.00 . C A . 70 HEC CBD 1 1 34 41423 3 2 1 HEC CGA C -1.515 -7.771 -7.652 1.00 . C A . 70 HEC CGA 1 1 34 41424 3 2 1 HEC CGD C -6.325 -3.546 -10.073 1.00 . C A . 70 HEC CGD 1 1 34 41425 3 2 1 HEC CHA C -3.699 -3.710 -5.633 1.00 . C A . 70 HEC CHA 1 1 34 41426 3 2 1 HEC CHB C -0.432 -3.324 -2.020 1.00 . C A . 70 HEC CHB 1 1 34 41427 3 2 1 HEC CHC C -2.410 0.931 -0.789 1.00 . C A . 70 HEC CHC 1 1 34 41428 3 2 1 HEC CHD C -5.793 0.412 -4.187 1.00 . C A . 70 HEC CHD 1 1 34 41429 3 2 1 HEC CMA C 0.300 -5.905 -3.569 1.00 . C A . 70 HEC CMA 1 1 34 41430 3 2 1 HEC CMB C 1.235 -2.317 0.331 1.00 . C A . 70 HEC CMB 1 1 34 41431 3 2 1 HEC CMC C -4.045 3.514 -0.678 1.00 . C A . 70 HEC CMC 1 1 34 41432 3 2 1 HEC CMD C -7.277 -0.357 -6.715 1.00 . C A . 70 HEC CMD 1 1 34 41433 3 2 1 HEC FE FE -3.095 -1.418 -3.147 1.00 . C A . 70 HEC FE 1 1 34 41434 3 2 1 HEC HAA1 H -1.845 -7.255 -5.012 1.00 . C A . 70 HEC HAA1 1 1 34 41435 3 2 1 HEC HAA2 H -3.129 -6.458 -5.887 1.00 . C A . 70 HEC HAA2 1 1 34 41436 3 2 1 HEC HAB H -0.711 1.355 1.273 1.00 . C A . 70 HEC HAB 1 1 34 41437 3 2 1 HEC HAC H -7.276 2.490 -3.248 1.00 . C A . 70 HEC HAC 1 1 34 41438 3 2 1 HEC HAD1 H -5.960 -4.254 -7.345 1.00 . C A . 70 HEC HAD1 1 1 34 41439 3 2 1 HEC HAD2 H -7.231 -3.078 -7.606 1.00 . C A . 70 HEC HAD2 1 1 34 41440 3 2 1 HEC HBA1 H -1.494 -5.605 -7.533 1.00 . C A . 70 HEC HBA1 1 1 34 41441 3 2 1 HEC HBA2 H -0.187 -6.408 -6.644 1.00 . C A . 70 HEC HBA2 1 1 34 41442 3 2 1 HEC HBB1 H 1.344 1.632 -0.037 1.00 . C A . 70 HEC HBB1 1 1 34 41443 3 2 1 HEC HBB2 H 1.541 1.844 1.707 1.00 . C A . 70 HEC HBB2 1 1 34 41444 3 2 1 HEC HBB3 H 2.124 0.366 0.925 1.00 . C A . 70 HEC HBB3 1 1 34 41445 3 2 1 HEC HBC1 H -5.671 4.990 -2.687 1.00 . C A . 70 HEC HBC1 1 1 34 41446 3 2 1 HEC HBC2 H -5.890 4.166 -4.248 1.00 . C A . 70 HEC HBC2 1 1 34 41447 3 2 1 HEC HBC3 H -7.291 4.854 -3.408 1.00 . C A . 70 HEC HBC3 1 1 34 41448 3 2 1 HEC HBD1 H -5.646 -1.777 -9.071 1.00 . C A . 70 HEC HBD1 1 1 34 41449 3 2 1 HEC HBD2 H -4.519 -3.140 -8.952 1.00 . C A . 70 HEC HBD2 1 1 34 41450 3 2 1 HEC HHA H -3.861 -4.407 -6.437 1.00 . C A . 70 HEC HHA 1 1 34 41451 3 2 1 HEC HHB H 0.378 -3.917 -1.614 1.00 . C A . 70 HEC HHB 1 1 34 41452 3 2 1 HEC HHC H -2.235 1.668 -0.034 1.00 . C A . 70 HEC HHC 1 1 34 41453 3 2 1 HEC HHD H -6.650 0.954 -4.524 1.00 . C A . 70 HEC HHD 1 1 34 41454 3 2 1 HEC HMA1 H 0.297 -6.236 -2.533 1.00 . C A . 70 HEC HMA1 1 1 34 41455 3 2 1 HEC HMA2 H 0.255 -6.777 -4.221 1.00 . C A . 70 HEC HMA2 1 1 34 41456 3 2 1 HEC HMA3 H 1.218 -5.359 -3.786 1.00 . C A . 70 HEC HMA3 1 1 34 41457 3 2 1 HEC HMB1 H 0.929 -3.313 0.646 1.00 . C A . 70 HEC HMB1 1 1 34 41458 3 2 1 HEC HMB2 H 2.038 -2.398 -0.403 1.00 . C A . 70 HEC HMB2 1 1 34 41459 3 2 1 HEC HMB3 H 1.596 -1.774 1.198 1.00 . C A . 70 HEC HMB3 1 1 34 41460 3 2 1 HEC HMC1 H -4.840 4.248 -0.775 1.00 . C A . 70 HEC HMC1 1 1 34 41461 3 2 1 HEC HMC2 H -4.005 3.200 0.362 1.00 . C A . 70 HEC HMC2 1 1 34 41462 3 2 1 HEC HMC3 H -3.101 3.981 -0.958 1.00 . C A . 70 HEC HMC3 1 1 34 41463 3 2 1 HEC HMD1 H -8.202 -0.478 -6.153 1.00 . C A . 70 HEC HMD1 1 1 34 41464 3 2 1 HEC HMD2 H -7.017 0.706 -6.737 1.00 . C A . 70 HEC HMD2 1 1 34 41465 3 2 1 HEC HMD3 H -7.419 -0.700 -7.739 1.00 . C A . 70 HEC HMD3 1 1 34 41466 3 2 1 HEC NA N -2.234 -3.166 -3.705 1.00 . C A . 70 HEC NA 1 1 34 41467 3 2 1 HEC NB N -1.703 -1.238 -1.702 1.00 . C A . 70 HEC NB 1 1 34 41468 3 2 1 HEC NC N -3.942 0.321 -2.598 1.00 . C A . 70 HEC NC 1 1 34 41469 3 2 1 HEC ND N -4.471 -1.601 -4.616 1.00 . C A . 70 HEC ND 1 1 34 41470 3 2 1 HEC O1A O -1.806 -7.700 -8.866 1.00 . C A . 70 HEC O1A 1 1 34 41471 3 2 1 HEC O1D O -5.985 -3.245 -11.239 1.00 . C A . 70 HEC O1D 1 1 34 41472 3 2 1 HEC O2A O -1.463 -8.830 -6.984 1.00 . C A . 70 HEC O2A 1 1 34 41473 3 2 1 HEC O2D O -7.248 -4.333 -9.769 1.00 . C A . 70 HEC O2D 1 1 34 41474 4 2 1 HEC C1A C 2.729 -5.680 9.510 1.00 . D A . 71 HEC C1A 1 1 34 41475 4 2 1 HEC C1B C -0.021 -8.934 9.166 1.00 . D A . 71 HEC C1B 1 1 34 41476 4 2 1 HEC C1C C -1.427 -7.338 5.472 1.00 . D A . 71 HEC C1C 1 1 34 41477 4 2 1 HEC C1D C 1.428 -4.186 5.711 1.00 . D A . 71 HEC C1D 1 1 34 41478 4 2 1 HEC C2A C 3.309 -6.089 10.772 1.00 . D A . 71 HEC C2A 1 1 34 41479 4 2 1 HEC C2B C -0.895 -10.081 9.203 1.00 . D A . 71 HEC C2B 1 1 34 41480 4 2 1 HEC C2C C -1.985 -6.968 4.195 1.00 . D A . 71 HEC C2C 1 1 34 41481 4 2 1 HEC C2D C 2.394 -3.117 5.626 1.00 . D A . 71 HEC C2D 1 1 34 41482 4 2 1 HEC C3A C 2.673 -7.246 11.146 1.00 . D A . 71 HEC C3A 1 1 34 41483 4 2 1 HEC C3B C -1.740 -9.984 8.123 1.00 . D A . 71 HEC C3B 1 1 34 41484 4 2 1 HEC C3C C -1.371 -5.799 3.807 1.00 . D A . 71 HEC C3C 1 1 34 41485 4 2 1 HEC C3D C 3.112 -3.117 6.797 1.00 . D A . 71 HEC C3D 1 1 34 41486 4 2 1 HEC C4A C 1.699 -7.551 10.123 1.00 . D A . 71 HEC C4A 1 1 34 41487 4 2 1 HEC C4B C -1.261 -8.870 7.330 1.00 . D A . 71 HEC C4B 1 1 34 41488 4 2 1 HEC C4C C -0.363 -5.515 4.810 1.00 . D A . 71 HEC C4C 1 1 34 41489 4 2 1 HEC C4D C 2.601 -4.203 7.602 1.00 . D A . 71 HEC C4D 1 1 34 41490 4 2 1 HEC CAA C 4.354 -5.347 11.588 1.00 . D A . 71 HEC CAA 1 1 34 41491 4 2 1 HEC CAB C -3.071 -10.707 7.958 1.00 . D A . 71 HEC CAB 1 1 34 41492 4 2 1 HEC CAC C -1.656 -4.989 2.548 1.00 . D A . 71 HEC CAC 1 1 34 41493 4 2 1 HEC CAD C 4.213 -2.144 7.170 1.00 . D A . 71 HEC CAD 1 1 34 41494 4 2 1 HEC CBA C 5.764 -5.287 10.975 1.00 . D A . 71 HEC CBA 1 1 34 41495 4 2 1 HEC CBB C -3.991 -10.582 9.178 1.00 . D A . 71 HEC CBB 1 1 34 41496 4 2 1 HEC CBC C -3.090 -4.464 2.457 1.00 . D A . 71 HEC CBC 1 1 34 41497 4 2 1 HEC CBD C 5.569 -2.758 7.580 1.00 . D A . 71 HEC CBD 1 1 34 41498 4 2 1 HEC CGA C 6.598 -6.551 11.167 1.00 . D A . 71 HEC CGA 1 1 34 41499 4 2 1 HEC CGD C 6.033 -2.415 9.013 1.00 . D A . 71 HEC CGD 1 1 34 41500 4 2 1 HEC CHA C 3.116 -4.561 8.821 1.00 . D A . 71 HEC CHA 1 1 34 41501 4 2 1 HEC CHB C 0.871 -8.649 10.169 1.00 . D A . 71 HEC CHB 1 1 34 41502 4 2 1 HEC CHC C -1.825 -8.464 6.144 1.00 . D A . 71 HEC CHC 1 1 34 41503 4 2 1 HEC CHD C 0.528 -4.472 4.711 1.00 . D A . 71 HEC CHD 1 1 34 41504 4 2 1 HEC CMA C 2.953 -8.043 12.402 1.00 . D A . 71 HEC CMA 1 1 34 41505 4 2 1 HEC CMB C -0.886 -11.162 10.261 1.00 . D A . 71 HEC CMB 1 1 34 41506 4 2 1 HEC CMC C -2.985 -7.798 3.419 1.00 . D A . 71 HEC CMC 1 1 34 41507 4 2 1 HEC CMD C 2.612 -2.198 4.449 1.00 . D A . 71 HEC CMD 1 1 34 41508 4 2 1 HEC FE FE 0.636 -6.508 7.502 1.00 . D A . 71 HEC FE 1 1 34 41509 4 2 1 HEC HAA1 H 4.034 -4.320 11.714 1.00 . D A . 71 HEC HAA1 1 1 34 41510 4 2 1 HEC HAA2 H 4.437 -5.774 12.586 1.00 . D A . 71 HEC HAA2 1 1 34 41511 4 2 1 HEC HAB H -3.629 -10.262 7.144 1.00 . D A . 71 HEC HAB 1 1 34 41512 4 2 1 HEC HAC H -1.037 -4.100 2.522 1.00 . D A . 71 HEC HAC 1 1 34 41513 4 2 1 HEC HAD1 H 4.411 -1.455 6.355 1.00 . D A . 71 HEC HAD1 1 1 34 41514 4 2 1 HEC HAD2 H 3.817 -1.546 7.974 1.00 . D A . 71 HEC HAD2 1 1 34 41515 4 2 1 HEC HBA1 H 5.693 -5.079 9.910 1.00 . D A . 71 HEC HBA1 1 1 34 41516 4 2 1 HEC HBA2 H 6.299 -4.467 11.457 1.00 . D A . 71 HEC HBA2 1 1 34 41517 4 2 1 HEC HBB1 H -3.582 -11.109 10.037 1.00 . D A . 71 HEC HBB1 1 1 34 41518 4 2 1 HEC HBB2 H -4.124 -9.531 9.432 1.00 . D A . 71 HEC HBB2 1 1 34 41519 4 2 1 HEC HBB3 H -4.965 -11.012 8.939 1.00 . D A . 71 HEC HBB3 1 1 34 41520 4 2 1 HEC HBC1 H -3.186 -3.818 1.584 1.00 . D A . 71 HEC HBC1 1 1 34 41521 4 2 1 HEC HBC2 H -3.808 -5.278 2.381 1.00 . D A . 71 HEC HBC2 1 1 34 41522 4 2 1 HEC HBC3 H -3.306 -3.873 3.346 1.00 . D A . 71 HEC HBC3 1 1 34 41523 4 2 1 HEC HBD1 H 5.530 -3.843 7.464 1.00 . D A . 71 HEC HBD1 1 1 34 41524 4 2 1 HEC HBD2 H 6.316 -2.383 6.880 1.00 . D A . 71 HEC HBD2 1 1 34 41525 4 2 1 HEC HHA H 3.910 -3.966 9.230 1.00 . D A . 71 HEC HHA 1 1 34 41526 4 2 1 HEC HHB H 0.899 -9.293 11.026 1.00 . D A . 71 HEC HHB 1 1 34 41527 4 2 1 HEC HHC H -2.592 -9.050 5.694 1.00 . D A . 71 HEC HHC 1 1 34 41528 4 2 1 HEC HHD H 0.536 -3.886 3.807 1.00 . D A . 71 HEC HHD 1 1 34 41529 4 2 1 HEC HMA1 H 4.019 -8.001 12.630 1.00 . D A . 71 HEC HMA1 1 1 34 41530 4 2 1 HEC HMA2 H 2.394 -7.618 13.235 1.00 . D A . 71 HEC HMA2 1 1 34 41531 4 2 1 HEC HMA3 H 2.693 -9.090 12.282 1.00 . D A . 71 HEC HMA3 1 1 34 41532 4 2 1 HEC HMB1 H 0.139 -11.474 10.458 1.00 . D A . 71 HEC HMB1 1 1 34 41533 4 2 1 HEC HMB2 H -1.335 -10.780 11.179 1.00 . D A . 71 HEC HMB2 1 1 34 41534 4 2 1 HEC HMB3 H -1.440 -12.034 9.919 1.00 . D A . 71 HEC HMB3 1 1 34 41535 4 2 1 HEC HMC1 H -2.624 -8.825 3.356 1.00 . D A . 71 HEC HMC1 1 1 34 41536 4 2 1 HEC HMC2 H -3.946 -7.786 3.931 1.00 . D A . 71 HEC HMC2 1 1 34 41537 4 2 1 HEC HMC3 H -3.105 -7.420 2.406 1.00 . D A . 71 HEC HMC3 1 1 34 41538 4 2 1 HEC HMD1 H 3.674 -1.988 4.344 1.00 . D A . 71 HEC HMD1 1 1 34 41539 4 2 1 HEC HMD2 H 2.262 -2.652 3.529 1.00 . D A . 71 HEC HMD2 1 1 34 41540 4 2 1 HEC HMD3 H 2.073 -1.268 4.591 1.00 . D A . 71 HEC HMD3 1 1 34 41541 4 2 1 HEC NA N 1.772 -6.594 9.161 1.00 . D A . 71 HEC NA 1 1 34 41542 4 2 1 HEC NB N -0.257 -8.255 8.017 1.00 . D A . 71 HEC NB 1 1 34 41543 4 2 1 HEC NC N -0.476 -6.445 5.810 1.00 . D A . 71 HEC NC 1 1 34 41544 4 2 1 HEC ND N 1.604 -4.817 6.907 1.00 . D A . 71 HEC ND 1 1 34 41545 4 2 1 HEC O1A O 6.314 -7.324 12.108 1.00 . D A . 71 HEC O1A 1 1 34 41546 4 2 1 HEC O1D O 7.225 -2.638 9.306 1.00 . D A . 71 HEC O1D 1 1 34 41547 4 2 1 HEC O2A O 7.523 -6.759 10.348 1.00 . D A . 71 HEC O2A 1 1 34 41548 4 2 1 HEC O2D O 5.175 -1.983 9.822 1.00 . D A . 71 HEC O2D 1 1 35 41549 1 1 1 ALA C C 8.733 3.454 -9.737 1.00 . A A . 1 ALA C 1 1 35 41550 1 1 1 ALA CA C 9.346 4.560 -8.869 1.00 . A A . 1 ALA CA 1 1 35 41551 1 1 1 ALA CB C 9.905 5.693 -9.742 1.00 . A A . 1 ALA CB 1 1 35 41552 1 1 1 ALA H1 H 10.981 3.346 -8.537 1.00 . A A . 1 ALA H1 1 1 35 41553 1 1 1 ALA H2 H 10.977 4.785 -7.639 1.00 . A A . 1 ALA H2 1 1 35 41554 1 1 1 ALA H3 H 10.042 3.534 -7.208 1.00 . A A . 1 ALA H3 1 1 35 41555 1 1 1 ALA HA H 8.572 4.988 -8.231 1.00 . A A . 1 ALA HA 1 1 35 41556 1 1 1 ALA HB1 H 10.692 5.309 -10.394 1.00 . A A . 1 ALA HB1 1 1 35 41557 1 1 1 ALA HB2 H 9.109 6.118 -10.355 1.00 . A A . 1 ALA HB2 1 1 35 41558 1 1 1 ALA HB3 H 10.318 6.482 -9.115 1.00 . A A . 1 ALA HB3 1 1 35 41559 1 1 1 ALA N N 10.414 4.016 -8.007 1.00 . A A . 1 ALA N 1 1 35 41560 1 1 1 ALA O O 8.621 3.608 -10.951 1.00 . A A . 1 ALA O 1 1 35 41561 1 1 2 ASP C C 8.109 0.015 -8.584 1.00 . A A . 2 ASP C 1 1 35 41562 1 1 2 ASP CA C 8.336 1.002 -9.724 1.00 . A A . 2 ASP CA 1 1 35 41563 1 1 2 ASP CB C 9.610 0.699 -10.518 1.00 . A A . 2 ASP CB 1 1 35 41564 1 1 2 ASP CG C 10.848 0.732 -9.631 1.00 . A A . 2 ASP CG 1 1 35 41565 1 1 2 ASP H H 8.298 2.255 -8.120 1.00 . A A . 2 ASP H 1 1 35 41566 1 1 2 ASP HA H 7.482 0.939 -10.373 1.00 . A A . 2 ASP HA 1 1 35 41567 1 1 2 ASP HB2 H 9.509 -0.283 -10.976 1.00 . A A . 2 ASP HB2 1 1 35 41568 1 1 2 ASP HB3 H 9.720 1.415 -11.331 1.00 . A A . 2 ASP HB3 1 1 35 41569 1 1 2 ASP N N 8.374 2.323 -9.122 1.00 . A A . 2 ASP N 1 1 35 41570 1 1 2 ASP O O 7.904 0.461 -7.459 1.00 . A A . 2 ASP O 1 1 35 41571 1 1 2 ASP OD1 O 11.224 1.855 -9.215 1.00 . A A . 2 ASP OD1 1 1 35 41572 1 1 2 ASP OD2 O 11.369 -0.366 -9.359 1.00 . A A . 2 ASP OD2 1 1 35 41573 1 1 3 VAL C C 8.592 -2.243 -6.657 1.00 . A A . 3 VAL C 1 1 35 41574 1 1 3 VAL CA C 7.643 -2.266 -7.863 1.00 . A A . 3 VAL CA 1 1 35 41575 1 1 3 VAL CB C 7.426 -3.653 -8.499 1.00 . A A . 3 VAL CB 1 1 35 41576 1 1 3 VAL CG1 C 8.681 -4.264 -9.140 1.00 . A A . 3 VAL CG1 1 1 35 41577 1 1 3 VAL CG2 C 6.834 -4.634 -7.479 1.00 . A A . 3 VAL CG2 1 1 35 41578 1 1 3 VAL H H 8.319 -1.608 -9.780 1.00 . A A . 3 VAL H 1 1 35 41579 1 1 3 VAL HA H 6.668 -1.941 -7.507 1.00 . A A . 3 VAL HA 1 1 35 41580 1 1 3 VAL HB H 6.688 -3.530 -9.293 1.00 . A A . 3 VAL HB 1 1 35 41581 1 1 3 VAL HG11 H 9.142 -3.561 -9.833 1.00 . A A . 3 VAL HG11 1 1 35 41582 1 1 3 VAL HG12 H 9.409 -4.545 -8.378 1.00 . A A . 3 VAL HG12 1 1 35 41583 1 1 3 VAL HG13 H 8.399 -5.161 -9.691 1.00 . A A . 3 VAL HG13 1 1 35 41584 1 1 3 VAL HG21 H 7.547 -4.830 -6.677 1.00 . A A . 3 VAL HG21 1 1 35 41585 1 1 3 VAL HG22 H 5.920 -4.221 -7.050 1.00 . A A . 3 VAL HG22 1 1 35 41586 1 1 3 VAL HG23 H 6.588 -5.573 -7.974 1.00 . A A . 3 VAL HG23 1 1 35 41587 1 1 3 VAL N N 8.054 -1.289 -8.863 1.00 . A A . 3 VAL N 1 1 35 41588 1 1 3 VAL O O 9.728 -2.703 -6.741 1.00 . A A . 3 VAL O 1 1 35 41589 1 1 4 VAL C C 8.303 -2.693 -3.374 1.00 . A A . 4 VAL C 1 1 35 41590 1 1 4 VAL CA C 8.871 -1.627 -4.295 1.00 . A A . 4 VAL CA 1 1 35 41591 1 1 4 VAL CB C 8.818 -0.207 -3.697 1.00 . A A . 4 VAL CB 1 1 35 41592 1 1 4 VAL CG1 C 9.370 -0.113 -2.262 1.00 . A A . 4 VAL CG1 1 1 35 41593 1 1 4 VAL CG2 C 9.669 0.754 -4.533 1.00 . A A . 4 VAL CG2 1 1 35 41594 1 1 4 VAL H H 7.134 -1.462 -5.483 1.00 . A A . 4 VAL H 1 1 35 41595 1 1 4 VAL HA H 9.919 -1.863 -4.443 1.00 . A A . 4 VAL HA 1 1 35 41596 1 1 4 VAL HB H 7.786 0.140 -3.717 1.00 . A A . 4 VAL HB 1 1 35 41597 1 1 4 VAL HG11 H 10.398 -0.473 -2.229 1.00 . A A . 4 VAL HG11 1 1 35 41598 1 1 4 VAL HG12 H 9.349 0.923 -1.925 1.00 . A A . 4 VAL HG12 1 1 35 41599 1 1 4 VAL HG13 H 8.781 -0.699 -1.562 1.00 . A A . 4 VAL HG13 1 1 35 41600 1 1 4 VAL HG21 H 9.373 0.723 -5.575 1.00 . A A . 4 VAL HG21 1 1 35 41601 1 1 4 VAL HG22 H 9.545 1.770 -4.160 1.00 . A A . 4 VAL HG22 1 1 35 41602 1 1 4 VAL HG23 H 10.720 0.471 -4.461 1.00 . A A . 4 VAL HG23 1 1 35 41603 1 1 4 VAL N N 8.120 -1.694 -5.537 1.00 . A A . 4 VAL N 1 1 35 41604 1 1 4 VAL O O 7.192 -3.197 -3.572 1.00 . A A . 4 VAL O 1 1 35 41605 1 1 5 THR C C 8.909 -2.861 0.069 1.00 . A A . 5 THR C 1 1 35 41606 1 1 5 THR CA C 8.525 -3.643 -1.173 1.00 . A A . 5 THR CA 1 1 35 41607 1 1 5 THR CB C 8.963 -5.113 -1.095 1.00 . A A . 5 THR CB 1 1 35 41608 1 1 5 THR CG2 C 10.478 -5.317 -1.184 1.00 . A A . 5 THR CG2 1 1 35 41609 1 1 5 THR H H 9.984 -2.598 -2.230 1.00 . A A . 5 THR H 1 1 35 41610 1 1 5 THR HA H 7.445 -3.525 -1.247 1.00 . A A . 5 THR HA 1 1 35 41611 1 1 5 THR HB H 8.497 -5.655 -1.913 1.00 . A A . 5 THR HB 1 1 35 41612 1 1 5 THR HG1 H 7.732 -5.146 0.370 1.00 . A A . 5 THR HG1 1 1 35 41613 1 1 5 THR HG21 H 10.700 -6.381 -1.099 1.00 . A A . 5 THR HG21 1 1 35 41614 1 1 5 THR HG22 H 10.858 -4.959 -2.141 1.00 . A A . 5 THR HG22 1 1 35 41615 1 1 5 THR HG23 H 10.983 -4.789 -0.375 1.00 . A A . 5 THR HG23 1 1 35 41616 1 1 5 THR N N 9.076 -3.024 -2.343 1.00 . A A . 5 THR N 1 1 35 41617 1 1 5 THR O O 10.033 -2.377 0.195 1.00 . A A . 5 THR O 1 1 35 41618 1 1 5 THR OG1 O 8.520 -5.647 0.125 1.00 . A A . 5 THR OG1 1 1 35 41619 1 1 6 TYR C C 8.933 -3.530 3.022 1.00 . A A . 6 TYR C 1 1 35 41620 1 1 6 TYR CA C 8.234 -2.355 2.343 1.00 . A A . 6 TYR CA 1 1 35 41621 1 1 6 TYR CB C 6.954 -1.964 3.069 1.00 . A A . 6 TYR CB 1 1 35 41622 1 1 6 TYR CD1 C 6.266 0.254 2.023 1.00 . A A . 6 TYR CD1 1 1 35 41623 1 1 6 TYR CD2 C 4.820 -1.680 1.788 1.00 . A A . 6 TYR CD2 1 1 35 41624 1 1 6 TYR CE1 C 5.364 1.000 1.243 1.00 . A A . 6 TYR CE1 1 1 35 41625 1 1 6 TYR CE2 C 3.930 -0.943 1.002 1.00 . A A . 6 TYR CE2 1 1 35 41626 1 1 6 TYR CG C 5.999 -1.100 2.275 1.00 . A A . 6 TYR CG 1 1 35 41627 1 1 6 TYR CZ C 4.186 0.409 0.754 1.00 . A A . 6 TYR CZ 1 1 35 41628 1 1 6 TYR H H 7.046 -3.176 0.795 1.00 . A A . 6 TYR H 1 1 35 41629 1 1 6 TYR HA H 8.857 -1.472 2.327 1.00 . A A . 6 TYR HA 1 1 35 41630 1 1 6 TYR HB2 H 6.437 -2.887 3.315 1.00 . A A . 6 TYR HB2 1 1 35 41631 1 1 6 TYR HB3 H 7.211 -1.461 4.002 1.00 . A A . 6 TYR HB3 1 1 35 41632 1 1 6 TYR HD1 H 7.179 0.706 2.379 1.00 . A A . 6 TYR HD1 1 1 35 41633 1 1 6 TYR HD2 H 4.599 -2.694 2.040 1.00 . A A . 6 TYR HD2 1 1 35 41634 1 1 6 TYR HE1 H 5.658 1.970 0.890 1.00 . A A . 6 TYR HE1 1 1 35 41635 1 1 6 TYR HE2 H 3.114 -1.445 0.509 1.00 . A A . 6 TYR HE2 1 1 35 41636 1 1 6 TYR HH H 3.295 0.536 -0.942 1.00 . A A . 6 TYR HH 1 1 35 41637 1 1 6 TYR N N 7.950 -2.756 0.987 1.00 . A A . 6 TYR N 1 1 35 41638 1 1 6 TYR O O 8.289 -4.519 3.381 1.00 . A A . 6 TYR O 1 1 35 41639 1 1 6 TYR OH O 3.410 1.065 -0.148 1.00 . A A . 6 TYR OH 1 1 35 41640 1 1 7 GLU C C 10.872 -4.517 5.301 1.00 . A A . 7 GLU C 1 1 35 41641 1 1 7 GLU CA C 11.067 -4.484 3.780 1.00 . A A . 7 GLU CA 1 1 35 41642 1 1 7 GLU CB C 12.523 -4.385 3.343 1.00 . A A . 7 GLU CB 1 1 35 41643 1 1 7 GLU CD C 14.614 -2.995 3.035 1.00 . A A . 7 GLU CD 1 1 35 41644 1 1 7 GLU CG C 13.120 -2.967 3.338 1.00 . A A . 7 GLU CG 1 1 35 41645 1 1 7 GLU H H 10.733 -2.680 2.708 1.00 . A A . 7 GLU H 1 1 35 41646 1 1 7 GLU HA H 10.728 -5.449 3.401 1.00 . A A . 7 GLU HA 1 1 35 41647 1 1 7 GLU HB2 H 13.085 -5.029 4.017 1.00 . A A . 7 GLU HB2 1 1 35 41648 1 1 7 GLU HB3 H 12.589 -4.795 2.338 1.00 . A A . 7 GLU HB3 1 1 35 41649 1 1 7 GLU HG2 H 12.656 -2.353 2.568 1.00 . A A . 7 GLU HG2 1 1 35 41650 1 1 7 GLU HG3 H 12.970 -2.501 4.311 1.00 . A A . 7 GLU HG3 1 1 35 41651 1 1 7 GLU N N 10.258 -3.456 3.144 1.00 . A A . 7 GLU N 1 1 35 41652 1 1 7 GLU O O 11.737 -4.161 6.098 1.00 . A A . 7 GLU O 1 1 35 41653 1 1 7 GLU OE1 O 15.003 -3.812 2.173 1.00 . A A . 7 GLU OE1 1 1 35 41654 1 1 7 GLU OE2 O 15.338 -2.197 3.668 1.00 . A A . 7 GLU OE2 1 1 35 41655 1 1 8 ASN C C 9.815 -6.604 7.516 1.00 . A A . 8 ASN C 1 1 35 41656 1 1 8 ASN CA C 9.245 -5.274 7.032 1.00 . A A . 8 ASN CA 1 1 35 41657 1 1 8 ASN CB C 7.711 -5.298 7.067 1.00 . A A . 8 ASN CB 1 1 35 41658 1 1 8 ASN CG C 7.137 -6.471 6.272 1.00 . A A . 8 ASN CG 1 1 35 41659 1 1 8 ASN H H 9.117 -5.255 4.884 1.00 . A A . 8 ASN H 1 1 35 41660 1 1 8 ASN HA H 9.598 -4.475 7.687 1.00 . A A . 8 ASN HA 1 1 35 41661 1 1 8 ASN HB2 H 7.361 -5.375 8.093 1.00 . A A . 8 ASN HB2 1 1 35 41662 1 1 8 ASN HB3 H 7.351 -4.352 6.664 1.00 . A A . 8 ASN HB3 1 1 35 41663 1 1 8 ASN HD21 H 5.949 -5.235 5.196 1.00 . A A . 8 ASN HD21 1 1 35 41664 1 1 8 ASN HD22 H 5.981 -6.919 4.669 1.00 . A A . 8 ASN HD22 1 1 35 41665 1 1 8 ASN N N 9.697 -5.009 5.671 1.00 . A A . 8 ASN N 1 1 35 41666 1 1 8 ASN ND2 N 6.277 -6.207 5.307 1.00 . A A . 8 ASN ND2 1 1 35 41667 1 1 8 ASN O O 10.451 -7.321 6.739 1.00 . A A . 8 ASN O 1 1 35 41668 1 1 8 ASN OD1 O 7.470 -7.630 6.493 1.00 . A A . 8 ASN OD1 1 1 35 41669 1 1 9 LYS C C 9.211 -9.405 9.095 1.00 . A A . 9 LYS C 1 1 35 41670 1 1 9 LYS CA C 10.090 -8.178 9.367 1.00 . A A . 9 LYS CA 1 1 35 41671 1 1 9 LYS CB C 10.306 -7.934 10.866 1.00 . A A . 9 LYS CB 1 1 35 41672 1 1 9 LYS CD C 11.470 -8.739 12.979 1.00 . A A . 9 LYS CD 1 1 35 41673 1 1 9 LYS CE C 12.490 -7.589 13.078 1.00 . A A . 9 LYS CE 1 1 35 41674 1 1 9 LYS CG C 11.115 -9.062 11.522 1.00 . A A . 9 LYS CG 1 1 35 41675 1 1 9 LYS H H 8.946 -6.381 9.371 1.00 . A A . 9 LYS H 1 1 35 41676 1 1 9 LYS HA H 11.065 -8.356 8.911 1.00 . A A . 9 LYS HA 1 1 35 41677 1 1 9 LYS HB2 H 10.847 -6.994 10.964 1.00 . A A . 9 LYS HB2 1 1 35 41678 1 1 9 LYS HB3 H 9.342 -7.835 11.367 1.00 . A A . 9 LYS HB3 1 1 35 41679 1 1 9 LYS HD2 H 10.550 -8.482 13.510 1.00 . A A . 9 LYS HD2 1 1 35 41680 1 1 9 LYS HD3 H 11.889 -9.647 13.418 1.00 . A A . 9 LYS HD3 1 1 35 41681 1 1 9 LYS HE2 H 13.310 -7.771 12.379 1.00 . A A . 9 LYS HE2 1 1 35 41682 1 1 9 LYS HE3 H 12.009 -6.647 12.810 1.00 . A A . 9 LYS HE3 1 1 35 41683 1 1 9 LYS HG2 H 10.518 -9.976 11.509 1.00 . A A . 9 LYS HG2 1 1 35 41684 1 1 9 LYS HG3 H 12.025 -9.246 10.948 1.00 . A A . 9 LYS HG3 1 1 35 41685 1 1 9 LYS HZ1 H 13.542 -8.293 14.703 1.00 . A A . 9 LYS HZ1 1 1 35 41686 1 1 9 LYS HZ2 H 13.705 -6.678 14.453 1.00 . A A . 9 LYS HZ2 1 1 35 41687 1 1 9 LYS HZ3 H 12.316 -7.265 15.104 1.00 . A A . 9 LYS HZ3 1 1 35 41688 1 1 9 LYS N N 9.547 -6.966 8.775 1.00 . A A . 9 LYS N 1 1 35 41689 1 1 9 LYS NZ N 13.052 -7.451 14.438 1.00 . A A . 9 LYS NZ 1 1 35 41690 1 1 9 LYS O O 9.717 -10.524 9.088 1.00 . A A . 9 LYS O 1 1 35 41691 1 1 10 LYS C C 7.462 -11.112 7.369 1.00 . A A . 10 LYS C 1 1 35 41692 1 1 10 LYS CA C 6.975 -10.307 8.574 1.00 . A A . 10 LYS CA 1 1 35 41693 1 1 10 LYS CB C 5.572 -9.755 8.265 1.00 . A A . 10 LYS CB 1 1 35 41694 1 1 10 LYS CD C 4.497 -10.145 10.537 1.00 . A A . 10 LYS CD 1 1 35 41695 1 1 10 LYS CE C 5.449 -10.041 11.740 1.00 . A A . 10 LYS CE 1 1 35 41696 1 1 10 LYS CG C 4.860 -9.116 9.456 1.00 . A A . 10 LYS CG 1 1 35 41697 1 1 10 LYS H H 7.568 -8.264 8.905 1.00 . A A . 10 LYS H 1 1 35 41698 1 1 10 LYS HA H 6.920 -10.997 9.415 1.00 . A A . 10 LYS HA 1 1 35 41699 1 1 10 LYS HB2 H 5.660 -8.993 7.494 1.00 . A A . 10 LYS HB2 1 1 35 41700 1 1 10 LYS HB3 H 4.946 -10.556 7.869 1.00 . A A . 10 LYS HB3 1 1 35 41701 1 1 10 LYS HD2 H 3.475 -9.946 10.860 1.00 . A A . 10 LYS HD2 1 1 35 41702 1 1 10 LYS HD3 H 4.521 -11.145 10.099 1.00 . A A . 10 LYS HD3 1 1 35 41703 1 1 10 LYS HE2 H 6.486 -10.026 11.400 1.00 . A A . 10 LYS HE2 1 1 35 41704 1 1 10 LYS HE3 H 5.258 -9.103 12.266 1.00 . A A . 10 LYS HE3 1 1 35 41705 1 1 10 LYS HG2 H 5.502 -8.340 9.853 1.00 . A A . 10 LYS HG2 1 1 35 41706 1 1 10 LYS HG3 H 3.947 -8.633 9.095 1.00 . A A . 10 LYS HG3 1 1 35 41707 1 1 10 LYS HZ1 H 5.488 -12.039 12.221 1.00 . A A . 10 LYS HZ1 1 1 35 41708 1 1 10 LYS HZ2 H 5.905 -11.049 13.465 1.00 . A A . 10 LYS HZ2 1 1 35 41709 1 1 10 LYS HZ3 H 4.327 -11.191 13.028 1.00 . A A . 10 LYS HZ3 1 1 35 41710 1 1 10 LYS N N 7.901 -9.220 8.900 1.00 . A A . 10 LYS N 1 1 35 41711 1 1 10 LYS NZ N 5.276 -11.164 12.682 1.00 . A A . 10 LYS NZ 1 1 35 41712 1 1 10 LYS O O 7.638 -12.328 7.448 1.00 . A A . 10 LYS O 1 1 35 41713 1 1 11 GLY C C 7.601 -10.019 3.842 1.00 . A A . 11 GLY C 1 1 35 41714 1 1 11 GLY CA C 7.884 -11.030 4.948 1.00 . A A . 11 GLY CA 1 1 35 41715 1 1 11 GLY H H 7.483 -9.424 6.285 1.00 . A A . 11 GLY H 1 1 35 41716 1 1 11 GLY HA2 H 8.930 -11.334 4.898 1.00 . A A . 11 GLY HA2 1 1 35 41717 1 1 11 GLY HA3 H 7.250 -11.905 4.802 1.00 . A A . 11 GLY HA3 1 1 35 41718 1 1 11 GLY N N 7.616 -10.428 6.239 1.00 . A A . 11 GLY N 1 1 35 41719 1 1 11 GLY O O 6.828 -10.305 2.937 1.00 . A A . 11 GLY O 1 1 35 41720 1 1 12 ASN C C 7.163 -7.586 2.052 1.00 . A A . 12 ASN C 1 1 35 41721 1 1 12 ASN CA C 8.396 -7.808 2.943 1.00 . A A . 12 ASN CA 1 1 35 41722 1 1 12 ASN CB C 9.651 -8.072 2.102 1.00 . A A . 12 ASN CB 1 1 35 41723 1 1 12 ASN CG C 10.859 -8.608 2.874 1.00 . A A . 12 ASN CG 1 1 35 41724 1 1 12 ASN H H 8.737 -8.698 4.821 1.00 . A A . 12 ASN H 1 1 35 41725 1 1 12 ASN HA H 8.591 -6.897 3.499 1.00 . A A . 12 ASN HA 1 1 35 41726 1 1 12 ASN HB2 H 9.379 -8.793 1.337 1.00 . A A . 12 ASN HB2 1 1 35 41727 1 1 12 ASN HB3 H 9.948 -7.150 1.603 1.00 . A A . 12 ASN HB3 1 1 35 41728 1 1 12 ASN HD21 H 10.543 -7.465 4.583 1.00 . A A . 12 ASN HD21 1 1 35 41729 1 1 12 ASN HD22 H 11.932 -8.499 4.571 1.00 . A A . 12 ASN HD22 1 1 35 41730 1 1 12 ASN N N 8.223 -8.843 3.962 1.00 . A A . 12 ASN N 1 1 35 41731 1 1 12 ASN ND2 N 11.123 -8.134 4.093 1.00 . A A . 12 ASN ND2 1 1 35 41732 1 1 12 ASN O O 6.936 -8.298 1.075 1.00 . A A . 12 ASN O 1 1 35 41733 1 1 12 ASN OD1 O 11.562 -9.484 2.382 1.00 . A A . 12 ASN OD1 1 1 35 41734 1 1 13 VAL C C 5.415 -5.732 0.313 1.00 . A A . 13 VAL C 1 1 35 41735 1 1 13 VAL CA C 5.104 -6.333 1.674 1.00 . A A . 13 VAL CA 1 1 35 41736 1 1 13 VAL CB C 4.162 -5.421 2.471 1.00 . A A . 13 VAL CB 1 1 35 41737 1 1 13 VAL CG1 C 3.081 -4.823 1.557 1.00 . A A . 13 VAL CG1 1 1 35 41738 1 1 13 VAL CG2 C 3.466 -6.207 3.580 1.00 . A A . 13 VAL CG2 1 1 35 41739 1 1 13 VAL H H 6.727 -5.882 3.022 1.00 . A A . 13 VAL H 1 1 35 41740 1 1 13 VAL HA H 4.600 -7.285 1.535 1.00 . A A . 13 VAL HA 1 1 35 41741 1 1 13 VAL HB H 4.746 -4.631 2.935 1.00 . A A . 13 VAL HB 1 1 35 41742 1 1 13 VAL HG11 H 3.503 -4.079 0.882 1.00 . A A . 13 VAL HG11 1 1 35 41743 1 1 13 VAL HG12 H 2.640 -5.610 0.950 1.00 . A A . 13 VAL HG12 1 1 35 41744 1 1 13 VAL HG13 H 2.307 -4.349 2.155 1.00 . A A . 13 VAL HG13 1 1 35 41745 1 1 13 VAL HG21 H 2.637 -6.787 3.184 1.00 . A A . 13 VAL HG21 1 1 35 41746 1 1 13 VAL HG22 H 4.176 -6.888 4.028 1.00 . A A . 13 VAL HG22 1 1 35 41747 1 1 13 VAL HG23 H 3.103 -5.513 4.337 1.00 . A A . 13 VAL HG23 1 1 35 41748 1 1 13 VAL N N 6.357 -6.577 2.382 1.00 . A A . 13 VAL N 1 1 35 41749 1 1 13 VAL O O 5.992 -4.648 0.241 1.00 . A A . 13 VAL O 1 1 35 41750 1 1 14 THR C C 4.094 -5.067 -2.554 1.00 . A A . 14 THR C 1 1 35 41751 1 1 14 THR CA C 5.237 -5.988 -2.120 1.00 . A A . 14 THR CA 1 1 35 41752 1 1 14 THR CB C 5.355 -7.232 -3.010 1.00 . A A . 14 THR CB 1 1 35 41753 1 1 14 THR CG2 C 5.660 -6.878 -4.468 1.00 . A A . 14 THR CG2 1 1 35 41754 1 1 14 THR H H 4.493 -7.277 -0.599 1.00 . A A . 14 THR H 1 1 35 41755 1 1 14 THR HA H 6.176 -5.438 -2.183 1.00 . A A . 14 THR HA 1 1 35 41756 1 1 14 THR HB H 4.420 -7.796 -2.970 1.00 . A A . 14 THR HB 1 1 35 41757 1 1 14 THR HG1 H 6.336 -8.125 -1.564 1.00 . A A . 14 THR HG1 1 1 35 41758 1 1 14 THR HG21 H 5.811 -7.796 -5.037 1.00 . A A . 14 THR HG21 1 1 35 41759 1 1 14 THR HG22 H 4.831 -6.328 -4.913 1.00 . A A . 14 THR HG22 1 1 35 41760 1 1 14 THR HG23 H 6.567 -6.274 -4.523 1.00 . A A . 14 THR HG23 1 1 35 41761 1 1 14 THR N N 5.024 -6.428 -0.752 1.00 . A A . 14 THR N 1 1 35 41762 1 1 14 THR O O 2.936 -5.323 -2.225 1.00 . A A . 14 THR O 1 1 35 41763 1 1 14 THR OG1 O 6.408 -8.044 -2.521 1.00 . A A . 14 THR OG1 1 1 35 41764 1 1 15 PHE C C 3.961 -2.639 -5.263 1.00 . A A . 15 PHE C 1 1 35 41765 1 1 15 PHE CA C 3.427 -3.132 -3.919 1.00 . A A . 15 PHE CA 1 1 35 41766 1 1 15 PHE CB C 3.050 -1.959 -3.004 1.00 . A A . 15 PHE CB 1 1 35 41767 1 1 15 PHE CD1 C 5.192 -1.404 -1.805 1.00 . A A . 15 PHE CD1 1 1 35 41768 1 1 15 PHE CD2 C 4.182 0.307 -3.213 1.00 . A A . 15 PHE CD2 1 1 35 41769 1 1 15 PHE CE1 C 6.160 -0.484 -1.385 1.00 . A A . 15 PHE CE1 1 1 35 41770 1 1 15 PHE CE2 C 5.149 1.233 -2.782 1.00 . A A . 15 PHE CE2 1 1 35 41771 1 1 15 PHE CG C 4.176 -0.999 -2.685 1.00 . A A . 15 PHE CG 1 1 35 41772 1 1 15 PHE CZ C 6.111 0.844 -1.834 1.00 . A A . 15 PHE CZ 1 1 35 41773 1 1 15 PHE H H 5.385 -3.781 -3.480 1.00 . A A . 15 PHE H 1 1 35 41774 1 1 15 PHE HA H 2.517 -3.707 -4.102 1.00 . A A . 15 PHE HA 1 1 35 41775 1 1 15 PHE HB2 H 2.239 -1.401 -3.474 1.00 . A A . 15 PHE HB2 1 1 35 41776 1 1 15 PHE HB3 H 2.673 -2.356 -2.062 1.00 . A A . 15 PHE HB3 1 1 35 41777 1 1 15 PHE HD1 H 5.177 -2.388 -1.360 1.00 . A A . 15 PHE HD1 1 1 35 41778 1 1 15 PHE HD2 H 3.427 0.621 -3.918 1.00 . A A . 15 PHE HD2 1 1 35 41779 1 1 15 PHE HE1 H 6.827 -0.751 -0.580 1.00 . A A . 15 PHE HE1 1 1 35 41780 1 1 15 PHE HE2 H 5.123 2.255 -3.136 1.00 . A A . 15 PHE HE2 1 1 35 41781 1 1 15 PHE HZ H 6.779 1.564 -1.387 1.00 . A A . 15 PHE HZ 1 1 35 41782 1 1 15 PHE N N 4.410 -4.000 -3.294 1.00 . A A . 15 PHE N 1 1 35 41783 1 1 15 PHE O O 5.038 -2.042 -5.355 1.00 . A A . 15 PHE O 1 1 35 41784 1 1 16 ASP C C 3.089 -0.738 -7.453 1.00 . A A . 16 ASP C 1 1 35 41785 1 1 16 ASP CA C 3.449 -2.213 -7.589 1.00 . A A . 16 ASP CA 1 1 35 41786 1 1 16 ASP CB C 2.724 -2.895 -8.748 1.00 . A A . 16 ASP CB 1 1 35 41787 1 1 16 ASP CG C 3.577 -3.977 -9.383 1.00 . A A . 16 ASP CG 1 1 35 41788 1 1 16 ASP H H 2.326 -3.387 -6.212 1.00 . A A . 16 ASP H 1 1 35 41789 1 1 16 ASP HA H 4.512 -2.277 -7.818 1.00 . A A . 16 ASP HA 1 1 35 41790 1 1 16 ASP HB2 H 1.754 -3.291 -8.445 1.00 . A A . 16 ASP HB2 1 1 35 41791 1 1 16 ASP HB3 H 2.586 -2.149 -9.522 1.00 . A A . 16 ASP HB3 1 1 35 41792 1 1 16 ASP N N 3.179 -2.858 -6.320 1.00 . A A . 16 ASP N 1 1 35 41793 1 1 16 ASP O O 1.958 -0.326 -7.711 1.00 . A A . 16 ASP O 1 1 35 41794 1 1 16 ASP OD1 O 3.626 -5.090 -8.826 1.00 . A A . 16 ASP OD1 1 1 35 41795 1 1 16 ASP OD2 O 4.175 -3.652 -10.434 1.00 . A A . 16 ASP OD2 1 1 35 41796 1 1 17 HIS C C 3.493 2.029 -8.325 1.00 . A A . 17 HIS C 1 1 35 41797 1 1 17 HIS CA C 4.035 1.499 -6.996 1.00 . A A . 17 HIS CA 1 1 35 41798 1 1 17 HIS CB C 5.469 1.984 -6.772 1.00 . A A . 17 HIS CB 1 1 35 41799 1 1 17 HIS CD2 C 4.730 4.295 -5.846 1.00 . A A . 17 HIS CD2 1 1 35 41800 1 1 17 HIS CE1 C 6.716 5.182 -5.629 1.00 . A A . 17 HIS CE1 1 1 35 41801 1 1 17 HIS CG C 5.667 3.384 -6.270 1.00 . A A . 17 HIS CG 1 1 35 41802 1 1 17 HIS H H 4.908 -0.420 -6.683 1.00 . A A . 17 HIS H 1 1 35 41803 1 1 17 HIS HA H 3.392 1.807 -6.171 1.00 . A A . 17 HIS HA 1 1 35 41804 1 1 17 HIS HB2 H 5.977 1.318 -6.077 1.00 . A A . 17 HIS HB2 1 1 35 41805 1 1 17 HIS HB3 H 5.999 1.930 -7.719 1.00 . A A . 17 HIS HB3 1 1 35 41806 1 1 17 HIS HD1 H 7.800 3.503 -6.208 1.00 . A A . 17 HIS HD1 1 1 35 41807 1 1 17 HIS HD2 H 3.663 4.149 -5.812 1.00 . A A . 17 HIS HD2 1 1 35 41808 1 1 17 HIS HE1 H 7.532 5.837 -5.408 1.00 . A A . 17 HIS HE1 1 1 35 41809 1 1 17 HIS N N 4.076 0.048 -7.028 1.00 . A A . 17 HIS N 1 1 35 41810 1 1 17 HIS ND1 N 6.904 3.949 -6.102 1.00 . A A . 17 HIS ND1 1 1 35 41811 1 1 17 HIS NE2 N 5.415 5.442 -5.425 1.00 . A A . 17 HIS NE2 1 1 35 41812 1 1 17 HIS O O 2.525 2.781 -8.360 1.00 . A A . 17 HIS O 1 1 35 41813 1 1 18 LYS C C 2.317 1.661 -11.113 1.00 . A A . 18 LYS C 1 1 35 41814 1 1 18 LYS CA C 3.761 2.047 -10.765 1.00 . A A . 18 LYS CA 1 1 35 41815 1 1 18 LYS CB C 4.861 1.690 -11.770 1.00 . A A . 18 LYS CB 1 1 35 41816 1 1 18 LYS CD C 4.734 -0.758 -12.323 1.00 . A A . 18 LYS CD 1 1 35 41817 1 1 18 LYS CE C 4.122 -1.750 -13.326 1.00 . A A . 18 LYS CE 1 1 35 41818 1 1 18 LYS CG C 4.459 0.667 -12.812 1.00 . A A . 18 LYS CG 1 1 35 41819 1 1 18 LYS H H 4.903 0.984 -9.315 1.00 . A A . 18 LYS H 1 1 35 41820 1 1 18 LYS HA H 3.792 3.122 -10.815 1.00 . A A . 18 LYS HA 1 1 35 41821 1 1 18 LYS HB2 H 5.170 2.596 -12.293 1.00 . A A . 18 LYS HB2 1 1 35 41822 1 1 18 LYS HB3 H 5.746 1.337 -11.265 1.00 . A A . 18 LYS HB3 1 1 35 41823 1 1 18 LYS HD2 H 5.817 -0.886 -12.240 1.00 . A A . 18 LYS HD2 1 1 35 41824 1 1 18 LYS HD3 H 4.315 -0.909 -11.327 1.00 . A A . 18 LYS HD3 1 1 35 41825 1 1 18 LYS HE2 H 3.039 -1.607 -13.344 1.00 . A A . 18 LYS HE2 1 1 35 41826 1 1 18 LYS HE3 H 4.515 -1.549 -14.325 1.00 . A A . 18 LYS HE3 1 1 35 41827 1 1 18 LYS HG2 H 3.434 0.850 -13.122 1.00 . A A . 18 LYS HG2 1 1 35 41828 1 1 18 LYS HG3 H 5.086 0.871 -13.663 1.00 . A A . 18 LYS HG3 1 1 35 41829 1 1 18 LYS HZ1 H 4.096 -3.339 -12.017 1.00 . A A . 18 LYS HZ1 1 1 35 41830 1 1 18 LYS HZ2 H 3.928 -3.791 -13.583 1.00 . A A . 18 LYS HZ2 1 1 35 41831 1 1 18 LYS HZ3 H 5.398 -3.342 -12.983 1.00 . A A . 18 LYS HZ3 1 1 35 41832 1 1 18 LYS N N 4.119 1.606 -9.428 1.00 . A A . 18 LYS N 1 1 35 41833 1 1 18 LYS NZ N 4.407 -3.152 -12.967 1.00 . A A . 18 LYS NZ 1 1 35 41834 1 1 18 LYS O O 1.563 2.485 -11.612 1.00 . A A . 18 LYS O 1 1 35 41835 1 1 19 ALA C C -0.426 0.942 -10.264 1.00 . A A . 19 ALA C 1 1 35 41836 1 1 19 ALA CA C 0.516 0.016 -11.026 1.00 . A A . 19 ALA CA 1 1 35 41837 1 1 19 ALA CB C 0.290 -1.395 -10.514 1.00 . A A . 19 ALA CB 1 1 35 41838 1 1 19 ALA H H 2.586 -0.228 -10.482 1.00 . A A . 19 ALA H 1 1 35 41839 1 1 19 ALA HA H 0.271 0.029 -12.087 1.00 . A A . 19 ALA HA 1 1 35 41840 1 1 19 ALA HB1 H 0.475 -1.387 -9.442 1.00 . A A . 19 ALA HB1 1 1 35 41841 1 1 19 ALA HB2 H -0.749 -1.669 -10.688 1.00 . A A . 19 ALA HB2 1 1 35 41842 1 1 19 ALA HB3 H 0.946 -2.093 -11.030 1.00 . A A . 19 ALA HB3 1 1 35 41843 1 1 19 ALA N N 1.910 0.422 -10.845 1.00 . A A . 19 ALA N 1 1 35 41844 1 1 19 ALA O O -1.361 1.500 -10.833 1.00 . A A . 19 ALA O 1 1 35 41845 1 1 20 HIS C C -0.953 3.404 -8.846 1.00 . A A . 20 HIS C 1 1 35 41846 1 1 20 HIS CA C -0.980 2.033 -8.173 1.00 . A A . 20 HIS CA 1 1 35 41847 1 1 20 HIS CB C -0.476 2.092 -6.727 1.00 . A A . 20 HIS CB 1 1 35 41848 1 1 20 HIS CD2 C -1.984 0.776 -5.104 1.00 . A A . 20 HIS CD2 1 1 35 41849 1 1 20 HIS CE1 C -0.922 -1.132 -5.076 1.00 . A A . 20 HIS CE1 1 1 35 41850 1 1 20 HIS CG C -0.880 0.889 -5.910 1.00 . A A . 20 HIS CG 1 1 35 41851 1 1 20 HIS H H 0.647 0.694 -8.550 1.00 . A A . 20 HIS H 1 1 35 41852 1 1 20 HIS HA H -2.007 1.670 -8.164 1.00 . A A . 20 HIS HA 1 1 35 41853 1 1 20 HIS HB2 H 0.609 2.191 -6.710 1.00 . A A . 20 HIS HB2 1 1 35 41854 1 1 20 HIS HB3 H -0.893 2.975 -6.250 1.00 . A A . 20 HIS HB3 1 1 35 41855 1 1 20 HIS HD1 H 0.593 -0.552 -6.444 1.00 . A A . 20 HIS HD1 1 1 35 41856 1 1 20 HIS HD2 H -2.728 1.534 -4.928 1.00 . A A . 20 HIS HD2 1 1 35 41857 1 1 20 HIS HE1 H -0.658 -2.156 -4.880 1.00 . A A . 20 HIS HE1 1 1 35 41858 1 1 20 HIS N N -0.178 1.117 -8.964 1.00 . A A . 20 HIS N 1 1 35 41859 1 1 20 HIS ND1 N -0.228 -0.319 -5.893 1.00 . A A . 20 HIS ND1 1 1 35 41860 1 1 20 HIS NE2 N -2.004 -0.514 -4.566 1.00 . A A . 20 HIS NE2 1 1 35 41861 1 1 20 HIS O O -1.965 4.088 -8.934 1.00 . A A . 20 HIS O 1 1 35 41862 1 1 21 ALA C C -0.548 5.230 -11.240 1.00 . A A . 21 ALA C 1 1 35 41863 1 1 21 ALA CA C 0.359 5.082 -10.018 1.00 . A A . 21 ALA CA 1 1 35 41864 1 1 21 ALA CB C 1.819 5.354 -10.368 1.00 . A A . 21 ALA CB 1 1 35 41865 1 1 21 ALA H H 0.974 3.119 -9.342 1.00 . A A . 21 ALA H 1 1 35 41866 1 1 21 ALA HA H 0.058 5.846 -9.301 1.00 . A A . 21 ALA HA 1 1 35 41867 1 1 21 ALA HB1 H 2.210 4.632 -11.069 1.00 . A A . 21 ALA HB1 1 1 35 41868 1 1 21 ALA HB2 H 1.858 6.314 -10.865 1.00 . A A . 21 ALA HB2 1 1 35 41869 1 1 21 ALA HB3 H 2.432 5.361 -9.466 1.00 . A A . 21 ALA HB3 1 1 35 41870 1 1 21 ALA N N 0.204 3.790 -9.373 1.00 . A A . 21 ALA N 1 1 35 41871 1 1 21 ALA O O -1.265 6.219 -11.333 1.00 . A A . 21 ALA O 1 1 35 41872 1 1 22 GLU C C -2.810 4.241 -13.072 1.00 . A A . 22 GLU C 1 1 35 41873 1 1 22 GLU CA C -1.322 4.353 -13.396 1.00 . A A . 22 GLU CA 1 1 35 41874 1 1 22 GLU CB C -0.889 3.319 -14.458 1.00 . A A . 22 GLU CB 1 1 35 41875 1 1 22 GLU CD C -0.899 0.816 -15.009 1.00 . A A . 22 GLU CD 1 1 35 41876 1 1 22 GLU CG C -0.757 1.883 -13.936 1.00 . A A . 22 GLU CG 1 1 35 41877 1 1 22 GLU H H 0.025 3.457 -11.979 1.00 . A A . 22 GLU H 1 1 35 41878 1 1 22 GLU HA H -1.167 5.339 -13.839 1.00 . A A . 22 GLU HA 1 1 35 41879 1 1 22 GLU HB2 H -1.632 3.330 -15.259 1.00 . A A . 22 GLU HB2 1 1 35 41880 1 1 22 GLU HB3 H 0.068 3.613 -14.891 1.00 . A A . 22 GLU HB3 1 1 35 41881 1 1 22 GLU HG2 H 0.220 1.767 -13.482 1.00 . A A . 22 GLU HG2 1 1 35 41882 1 1 22 GLU HG3 H -1.531 1.682 -13.209 1.00 . A A . 22 GLU HG3 1 1 35 41883 1 1 22 GLU N N -0.528 4.277 -12.173 1.00 . A A . 22 GLU N 1 1 35 41884 1 1 22 GLU O O -3.621 4.963 -13.647 1.00 . A A . 22 GLU O 1 1 35 41885 1 1 22 GLU OE1 O -0.204 0.936 -16.038 1.00 . A A . 22 GLU OE1 1 1 35 41886 1 1 22 GLU OE2 O -1.694 -0.121 -14.757 1.00 . A A . 22 GLU OE2 1 1 35 41887 1 1 23 LYS C C -5.157 4.277 -11.093 1.00 . A A . 23 LYS C 1 1 35 41888 1 1 23 LYS CA C -4.576 3.088 -11.863 1.00 . A A . 23 LYS CA 1 1 35 41889 1 1 23 LYS CB C -4.736 1.768 -11.099 1.00 . A A . 23 LYS CB 1 1 35 41890 1 1 23 LYS CD C -4.944 0.345 -13.238 1.00 . A A . 23 LYS CD 1 1 35 41891 1 1 23 LYS CE C -4.829 -1.102 -13.746 1.00 . A A . 23 LYS CE 1 1 35 41892 1 1 23 LYS CG C -4.276 0.522 -11.869 1.00 . A A . 23 LYS CG 1 1 35 41893 1 1 23 LYS H H -2.469 2.761 -11.713 1.00 . A A . 23 LYS H 1 1 35 41894 1 1 23 LYS HA H -5.136 3.008 -12.795 1.00 . A A . 23 LYS HA 1 1 35 41895 1 1 23 LYS HB2 H -4.150 1.811 -10.184 1.00 . A A . 23 LYS HB2 1 1 35 41896 1 1 23 LYS HB3 H -5.785 1.644 -10.831 1.00 . A A . 23 LYS HB3 1 1 35 41897 1 1 23 LYS HD2 H -6.002 0.604 -13.167 1.00 . A A . 23 LYS HD2 1 1 35 41898 1 1 23 LYS HD3 H -4.464 1.019 -13.952 1.00 . A A . 23 LYS HD3 1 1 35 41899 1 1 23 LYS HE2 H -5.526 -1.734 -13.195 1.00 . A A . 23 LYS HE2 1 1 35 41900 1 1 23 LYS HE3 H -5.096 -1.123 -14.803 1.00 . A A . 23 LYS HE3 1 1 35 41901 1 1 23 LYS HG2 H -3.200 0.549 -12.008 1.00 . A A . 23 LYS HG2 1 1 35 41902 1 1 23 LYS HG3 H -4.509 -0.332 -11.241 1.00 . A A . 23 LYS HG3 1 1 35 41903 1 1 23 LYS HZ1 H -3.333 -1.878 -12.581 1.00 . A A . 23 LYS HZ1 1 1 35 41904 1 1 23 LYS HZ2 H -3.385 -2.540 -14.062 1.00 . A A . 23 LYS HZ2 1 1 35 41905 1 1 23 LYS HZ3 H -2.758 -1.025 -13.910 1.00 . A A . 23 LYS HZ3 1 1 35 41906 1 1 23 LYS N N -3.179 3.325 -12.173 1.00 . A A . 23 LYS N 1 1 35 41907 1 1 23 LYS NZ N -3.475 -1.666 -13.572 1.00 . A A . 23 LYS NZ 1 1 35 41908 1 1 23 LYS O O -6.240 4.751 -11.425 1.00 . A A . 23 LYS O 1 1 35 41909 1 1 24 LEU C C -4.609 7.169 -9.711 1.00 . A A . 24 LEU C 1 1 35 41910 1 1 24 LEU CA C -4.954 5.782 -9.166 1.00 . A A . 24 LEU CA 1 1 35 41911 1 1 24 LEU CB C -4.372 5.595 -7.761 1.00 . A A . 24 LEU CB 1 1 35 41912 1 1 24 LEU CD1 C -4.892 3.008 -7.780 1.00 . A A . 24 LEU CD1 1 1 35 41913 1 1 24 LEU CD2 C -3.968 4.116 -5.792 1.00 . A A . 24 LEU CD2 1 1 35 41914 1 1 24 LEU CG C -4.856 4.336 -7.020 1.00 . A A . 24 LEU CG 1 1 35 41915 1 1 24 LEU H H -3.608 4.279 -9.759 1.00 . A A . 24 LEU H 1 1 35 41916 1 1 24 LEU HA H -6.040 5.711 -9.081 1.00 . A A . 24 LEU HA 1 1 35 41917 1 1 24 LEU HB2 H -3.287 5.642 -7.790 1.00 . A A . 24 LEU HB2 1 1 35 41918 1 1 24 LEU HB3 H -4.696 6.454 -7.176 1.00 . A A . 24 LEU HB3 1 1 35 41919 1 1 24 LEU HD11 H -5.126 2.198 -7.090 1.00 . A A . 24 LEU HD11 1 1 35 41920 1 1 24 LEU HD12 H -5.665 3.027 -8.548 1.00 . A A . 24 LEU HD12 1 1 35 41921 1 1 24 LEU HD13 H -3.924 2.800 -8.216 1.00 . A A . 24 LEU HD13 1 1 35 41922 1 1 24 LEU HD21 H -2.964 3.868 -6.124 1.00 . A A . 24 LEU HD21 1 1 35 41923 1 1 24 LEU HD22 H -3.930 5.010 -5.176 1.00 . A A . 24 LEU HD22 1 1 35 41924 1 1 24 LEU HD23 H -4.349 3.294 -5.193 1.00 . A A . 24 LEU HD23 1 1 35 41925 1 1 24 LEU HG H -5.882 4.535 -6.738 1.00 . A A . 24 LEU HG 1 1 35 41926 1 1 24 LEU N N -4.464 4.739 -10.048 1.00 . A A . 24 LEU N 1 1 35 41927 1 1 24 LEU O O -5.495 8.011 -9.805 1.00 . A A . 24 LEU O 1 1 35 41928 1 1 25 GLY C C -2.157 9.565 -9.495 1.00 . A A . 25 GLY C 1 1 35 41929 1 1 25 GLY CA C -2.896 8.724 -10.539 1.00 . A A . 25 GLY CA 1 1 35 41930 1 1 25 GLY H H -2.691 6.628 -10.193 1.00 . A A . 25 GLY H 1 1 35 41931 1 1 25 GLY HA2 H -2.198 8.572 -11.351 1.00 . A A . 25 GLY HA2 1 1 35 41932 1 1 25 GLY HA3 H -3.733 9.304 -10.931 1.00 . A A . 25 GLY HA3 1 1 35 41933 1 1 25 GLY N N -3.338 7.411 -10.066 1.00 . A A . 25 GLY N 1 1 35 41934 1 1 25 GLY O O -2.284 10.787 -9.498 1.00 . A A . 25 GLY O 1 1 35 41935 1 1 26 CYS C C -1.302 10.146 -6.437 1.00 . A A . 26 CYS C 1 1 35 41936 1 1 26 CYS CA C -0.504 9.540 -7.598 1.00 . A A . 26 CYS CA 1 1 35 41937 1 1 26 CYS CB C 0.484 10.572 -8.106 1.00 . A A . 26 CYS CB 1 1 35 41938 1 1 26 CYS H H -1.338 7.924 -8.714 1.00 . A A . 26 CYS H 1 1 35 41939 1 1 26 CYS HA H 0.089 8.741 -7.168 1.00 . A A . 26 CYS HA 1 1 35 41940 1 1 26 CYS HB2 H -0.042 11.514 -8.259 1.00 . A A . 26 CYS HB2 1 1 35 41941 1 1 26 CYS HB3 H 1.238 10.740 -7.336 1.00 . A A . 26 CYS HB3 1 1 35 41942 1 1 26 CYS N N -1.349 8.928 -8.637 1.00 . A A . 26 CYS N 1 1 35 41943 1 1 26 CYS O O -1.008 9.844 -5.279 1.00 . A A . 26 CYS O 1 1 35 41944 1 1 26 CYS SG S 1.338 10.221 -9.673 1.00 . A A . 26 CYS SG 1 1 35 41945 1 1 27 ASP C C -3.508 11.067 -4.648 1.00 . A A . 27 ASP C 1 1 35 41946 1 1 27 ASP CA C -3.085 11.842 -5.882 1.00 . A A . 27 ASP CA 1 1 35 41947 1 1 27 ASP CB C -4.307 12.355 -6.671 1.00 . A A . 27 ASP CB 1 1 35 41948 1 1 27 ASP CG C -5.274 11.263 -7.135 1.00 . A A . 27 ASP CG 1 1 35 41949 1 1 27 ASP H H -2.619 10.964 -7.701 1.00 . A A . 27 ASP H 1 1 35 41950 1 1 27 ASP HA H -2.494 12.702 -5.571 1.00 . A A . 27 ASP HA 1 1 35 41951 1 1 27 ASP HB2 H -4.862 13.041 -6.031 1.00 . A A . 27 ASP HB2 1 1 35 41952 1 1 27 ASP HB3 H -3.969 12.903 -7.550 1.00 . A A . 27 ASP HB3 1 1 35 41953 1 1 27 ASP N N -2.272 11.007 -6.754 1.00 . A A . 27 ASP N 1 1 35 41954 1 1 27 ASP O O -3.360 11.532 -3.521 1.00 . A A . 27 ASP O 1 1 35 41955 1 1 27 ASP OD1 O -4.785 10.140 -7.407 1.00 . A A . 27 ASP OD1 1 1 35 41956 1 1 27 ASP OD2 O -6.484 11.563 -7.183 1.00 . A A . 27 ASP OD2 1 1 35 41957 1 1 28 ALA C C -3.495 8.832 -2.684 1.00 . A A . 28 ALA C 1 1 35 41958 1 1 28 ALA CA C -4.413 8.891 -3.907 1.00 . A A . 28 ALA CA 1 1 35 41959 1 1 28 ALA CB C -4.464 7.533 -4.591 1.00 . A A . 28 ALA CB 1 1 35 41960 1 1 28 ALA H H -4.110 9.631 -5.892 1.00 . A A . 28 ALA H 1 1 35 41961 1 1 28 ALA HA H -5.414 9.180 -3.600 1.00 . A A . 28 ALA HA 1 1 35 41962 1 1 28 ALA HB1 H -4.588 6.761 -3.836 1.00 . A A . 28 ALA HB1 1 1 35 41963 1 1 28 ALA HB2 H -5.304 7.517 -5.284 1.00 . A A . 28 ALA HB2 1 1 35 41964 1 1 28 ALA HB3 H -3.533 7.369 -5.137 1.00 . A A . 28 ALA HB3 1 1 35 41965 1 1 28 ALA N N -3.982 9.851 -4.897 1.00 . A A . 28 ALA N 1 1 35 41966 1 1 28 ALA O O -3.973 8.706 -1.558 1.00 . A A . 28 ALA O 1 1 35 41967 1 1 29 CYS C C -0.295 9.957 -1.747 1.00 . A A . 29 CYS C 1 1 35 41968 1 1 29 CYS CA C -1.161 8.699 -1.895 1.00 . A A . 29 CYS CA 1 1 35 41969 1 1 29 CYS CB C -0.327 7.494 -2.244 1.00 . A A . 29 CYS CB 1 1 35 41970 1 1 29 CYS H H -1.878 8.990 -3.882 1.00 . A A . 29 CYS H 1 1 35 41971 1 1 29 CYS HA H -1.624 8.509 -0.925 1.00 . A A . 29 CYS HA 1 1 35 41972 1 1 29 CYS HB2 H 0.257 7.736 -3.132 1.00 . A A . 29 CYS HB2 1 1 35 41973 1 1 29 CYS HB3 H 0.356 7.273 -1.421 1.00 . A A . 29 CYS HB3 1 1 35 41974 1 1 29 CYS N N -2.181 8.870 -2.920 1.00 . A A . 29 CYS N 1 1 35 41975 1 1 29 CYS O O 0.279 10.182 -0.682 1.00 . A A . 29 CYS O 1 1 35 41976 1 1 29 CYS SG S -1.382 6.037 -2.576 1.00 . A A . 29 CYS SG 1 1 35 41977 1 1 30 HIS C C -0.008 13.110 -3.466 1.00 . A A . 30 HIS C 1 1 35 41978 1 1 30 HIS CA C 0.723 11.909 -2.878 1.00 . A A . 30 HIS CA 1 1 35 41979 1 1 30 HIS CB C 1.893 11.583 -3.806 1.00 . A A . 30 HIS CB 1 1 35 41980 1 1 30 HIS CD2 C 2.826 9.261 -4.091 1.00 . A A . 30 HIS CD2 1 1 35 41981 1 1 30 HIS CE1 C 4.491 9.330 -2.683 1.00 . A A . 30 HIS CE1 1 1 35 41982 1 1 30 HIS CG C 2.719 10.414 -3.381 1.00 . A A . 30 HIS CG 1 1 35 41983 1 1 30 HIS H H -0.687 10.552 -3.650 1.00 . A A . 30 HIS H 1 1 35 41984 1 1 30 HIS HA H 1.116 12.167 -1.894 1.00 . A A . 30 HIS HA 1 1 35 41985 1 1 30 HIS HB2 H 1.495 11.373 -4.800 1.00 . A A . 30 HIS HB2 1 1 35 41986 1 1 30 HIS HB3 H 2.532 12.460 -3.893 1.00 . A A . 30 HIS HB3 1 1 35 41987 1 1 30 HIS HD1 H 3.943 11.219 -1.863 1.00 . A A . 30 HIS HD1 1 1 35 41988 1 1 30 HIS HD2 H 2.234 8.960 -4.930 1.00 . A A . 30 HIS HD2 1 1 35 41989 1 1 30 HIS HE1 H 5.425 9.070 -2.210 1.00 . A A . 30 HIS HE1 1 1 35 41990 1 1 30 HIS N N -0.170 10.766 -2.805 1.00 . A A . 30 HIS N 1 1 35 41991 1 1 30 HIS ND1 N 3.760 10.451 -2.490 1.00 . A A . 30 HIS ND1 1 1 35 41992 1 1 30 HIS NE2 N 3.961 8.591 -3.665 1.00 . A A . 30 HIS NE2 1 1 35 41993 1 1 30 HIS O O -0.118 13.215 -4.686 1.00 . A A . 30 HIS O 1 1 35 41994 1 1 31 GLU C C 0.162 16.335 -3.155 1.00 . A A . 31 GLU C 1 1 35 41995 1 1 31 GLU CA C -0.972 15.319 -3.076 1.00 . A A . 31 GLU CA 1 1 35 41996 1 1 31 GLU CB C -2.114 15.810 -2.161 1.00 . A A . 31 GLU CB 1 1 35 41997 1 1 31 GLU CD C -4.276 15.181 -1.053 1.00 . A A . 31 GLU CD 1 1 35 41998 1 1 31 GLU CG C -2.987 14.659 -1.676 1.00 . A A . 31 GLU CG 1 1 35 41999 1 1 31 GLU H H -0.263 13.889 -1.633 1.00 . A A . 31 GLU H 1 1 35 42000 1 1 31 GLU HA H -1.400 15.197 -4.074 1.00 . A A . 31 GLU HA 1 1 35 42001 1 1 31 GLU HB2 H -1.788 16.343 -1.270 1.00 . A A . 31 GLU HB2 1 1 35 42002 1 1 31 GLU HB3 H -2.732 16.496 -2.744 1.00 . A A . 31 GLU HB3 1 1 35 42003 1 1 31 GLU HG2 H -3.211 14.042 -2.537 1.00 . A A . 31 GLU HG2 1 1 35 42004 1 1 31 GLU HG3 H -2.461 14.053 -0.938 1.00 . A A . 31 GLU HG3 1 1 35 42005 1 1 31 GLU N N -0.418 14.050 -2.617 1.00 . A A . 31 GLU N 1 1 35 42006 1 1 31 GLU O O 0.648 16.702 -4.224 1.00 . A A . 31 GLU O 1 1 35 42007 1 1 31 GLU OE1 O -5.074 15.771 -1.813 1.00 . A A . 31 GLU OE1 1 1 35 42008 1 1 31 GLU OE2 O -4.413 15.025 0.179 1.00 . A A . 31 GLU OE2 1 1 35 42009 1 1 32 GLY C C 2.977 17.450 -2.024 1.00 . A A . 32 GLY C 1 1 35 42010 1 1 32 GLY CA C 1.528 17.882 -1.816 1.00 . A A . 32 GLY CA 1 1 35 42011 1 1 32 GLY H H 0.178 16.348 -1.167 1.00 . A A . 32 GLY H 1 1 35 42012 1 1 32 GLY HA2 H 1.288 18.673 -2.528 1.00 . A A . 32 GLY HA2 1 1 35 42013 1 1 32 GLY HA3 H 1.415 18.283 -0.809 1.00 . A A . 32 GLY HA3 1 1 35 42014 1 1 32 GLY N N 0.603 16.771 -1.978 1.00 . A A . 32 GLY N 1 1 35 42015 1 1 32 GLY O O 3.790 17.614 -1.121 1.00 . A A . 32 GLY O 1 1 35 42016 1 1 33 THR C C 5.070 15.216 -2.968 1.00 . A A . 33 THR C 1 1 35 42017 1 1 33 THR CA C 4.615 16.517 -3.655 1.00 . A A . 33 THR CA 1 1 35 42018 1 1 33 THR CB C 5.627 17.665 -3.456 1.00 . A A . 33 THR CB 1 1 35 42019 1 1 33 THR CG2 C 6.966 17.394 -4.149 1.00 . A A . 33 THR CG2 1 1 35 42020 1 1 33 THR H H 2.512 16.828 -3.873 1.00 . A A . 33 THR H 1 1 35 42021 1 1 33 THR HA H 4.511 16.359 -4.725 1.00 . A A . 33 THR HA 1 1 35 42022 1 1 33 THR HB H 5.835 17.808 -2.394 1.00 . A A . 33 THR HB 1 1 35 42023 1 1 33 THR HG1 H 4.801 18.707 -4.886 1.00 . A A . 33 THR HG1 1 1 35 42024 1 1 33 THR HG21 H 7.631 18.242 -3.979 1.00 . A A . 33 THR HG21 1 1 35 42025 1 1 33 THR HG22 H 7.436 16.502 -3.731 1.00 . A A . 33 THR HG22 1 1 35 42026 1 1 33 THR HG23 H 6.826 17.266 -5.221 1.00 . A A . 33 THR HG23 1 1 35 42027 1 1 33 THR N N 3.280 16.921 -3.216 1.00 . A A . 33 THR N 1 1 35 42028 1 1 33 THR O O 5.002 15.099 -1.746 1.00 . A A . 33 THR O 1 1 35 42029 1 1 33 THR OG1 O 5.094 18.864 -3.985 1.00 . A A . 33 THR OG1 1 1 35 42030 1 1 34 PRO C C 7.443 13.256 -2.511 1.00 . A A . 34 PRO C 1 1 35 42031 1 1 34 PRO CA C 6.072 12.989 -3.137 1.00 . A A . 34 PRO CA 1 1 35 42032 1 1 34 PRO CB C 6.173 11.994 -4.288 1.00 . A A . 34 PRO CB 1 1 35 42033 1 1 34 PRO CD C 5.617 14.152 -5.172 1.00 . A A . 34 PRO CD 1 1 35 42034 1 1 34 PRO CG C 6.425 12.896 -5.488 1.00 . A A . 34 PRO CG 1 1 35 42035 1 1 34 PRO HA H 5.392 12.584 -2.394 1.00 . A A . 34 PRO HA 1 1 35 42036 1 1 34 PRO HB2 H 6.970 11.270 -4.127 1.00 . A A . 34 PRO HB2 1 1 35 42037 1 1 34 PRO HB3 H 5.223 11.484 -4.437 1.00 . A A . 34 PRO HB3 1 1 35 42038 1 1 34 PRO HD2 H 6.122 15.018 -5.599 1.00 . A A . 34 PRO HD2 1 1 35 42039 1 1 34 PRO HD3 H 4.612 14.056 -5.586 1.00 . A A . 34 PRO HD3 1 1 35 42040 1 1 34 PRO HG2 H 7.485 13.142 -5.532 1.00 . A A . 34 PRO HG2 1 1 35 42041 1 1 34 PRO HG3 H 6.097 12.422 -6.405 1.00 . A A . 34 PRO HG3 1 1 35 42042 1 1 34 PRO N N 5.537 14.207 -3.722 1.00 . A A . 34 PRO N 1 1 35 42043 1 1 34 PRO O O 8.278 13.928 -3.112 1.00 . A A . 34 PRO O 1 1 35 42044 1 1 35 ALA C C 9.071 11.577 0.299 1.00 . A A . 35 ALA C 1 1 35 42045 1 1 35 ALA CA C 8.976 12.773 -0.646 1.00 . A A . 35 ALA CA 1 1 35 42046 1 1 35 ALA CB C 9.097 14.114 0.087 1.00 . A A . 35 ALA CB 1 1 35 42047 1 1 35 ALA H H 6.955 12.189 -0.847 1.00 . A A . 35 ALA H 1 1 35 42048 1 1 35 ALA HA H 9.787 12.700 -1.373 1.00 . A A . 35 ALA HA 1 1 35 42049 1 1 35 ALA HB1 H 10.057 14.169 0.600 1.00 . A A . 35 ALA HB1 1 1 35 42050 1 1 35 ALA HB2 H 9.032 14.933 -0.630 1.00 . A A . 35 ALA HB2 1 1 35 42051 1 1 35 ALA HB3 H 8.292 14.215 0.817 1.00 . A A . 35 ALA HB3 1 1 35 42052 1 1 35 ALA N N 7.688 12.700 -1.322 1.00 . A A . 35 ALA N 1 1 35 42053 1 1 35 ALA O O 9.251 11.739 1.503 1.00 . A A . 35 ALA O 1 1 35 42054 1 1 36 LYS C C 7.141 9.317 1.108 1.00 . A A . 36 LYS C 1 1 35 42055 1 1 36 LYS CA C 8.511 9.160 0.439 1.00 . A A . 36 LYS CA 1 1 35 42056 1 1 36 LYS CB C 9.581 8.721 1.455 1.00 . A A . 36 LYS CB 1 1 35 42057 1 1 36 LYS CD C 11.159 6.825 0.935 1.00 . A A . 36 LYS CD 1 1 35 42058 1 1 36 LYS CE C 11.444 6.417 2.394 1.00 . A A . 36 LYS CE 1 1 35 42059 1 1 36 LYS CG C 10.915 8.335 0.801 1.00 . A A . 36 LYS CG 1 1 35 42060 1 1 36 LYS H H 8.758 10.374 -1.272 1.00 . A A . 36 LYS H 1 1 35 42061 1 1 36 LYS HA H 8.405 8.375 -0.308 1.00 . A A . 36 LYS HA 1 1 35 42062 1 1 36 LYS HB2 H 9.757 9.497 2.200 1.00 . A A . 36 LYS HB2 1 1 35 42063 1 1 36 LYS HB3 H 9.185 7.861 1.991 1.00 . A A . 36 LYS HB3 1 1 35 42064 1 1 36 LYS HD2 H 10.283 6.303 0.552 1.00 . A A . 36 LYS HD2 1 1 35 42065 1 1 36 LYS HD3 H 12.012 6.542 0.314 1.00 . A A . 36 LYS HD3 1 1 35 42066 1 1 36 LYS HE2 H 12.436 6.769 2.650 1.00 . A A . 36 LYS HE2 1 1 35 42067 1 1 36 LYS HE3 H 10.745 6.879 3.088 1.00 . A A . 36 LYS HE3 1 1 35 42068 1 1 36 LYS HG2 H 10.902 8.600 -0.257 1.00 . A A . 36 LYS HG2 1 1 35 42069 1 1 36 LYS HG3 H 11.729 8.884 1.277 1.00 . A A . 36 LYS HG3 1 1 35 42070 1 1 36 LYS HZ1 H 11.434 4.438 1.716 1.00 . A A . 36 LYS HZ1 1 1 35 42071 1 1 36 LYS HZ2 H 11.952 4.585 3.310 1.00 . A A . 36 LYS HZ2 1 1 35 42072 1 1 36 LYS HZ3 H 10.375 4.728 2.810 1.00 . A A . 36 LYS HZ3 1 1 35 42073 1 1 36 LYS N N 8.886 10.379 -0.272 1.00 . A A . 36 LYS N 1 1 35 42074 1 1 36 LYS NZ N 11.349 4.957 2.595 1.00 . A A . 36 LYS NZ 1 1 35 42075 1 1 36 LYS O O 6.530 10.382 1.038 1.00 . A A . 36 LYS O 1 1 35 42076 1 1 37 ILE C C 5.976 7.798 4.041 1.00 . A A . 37 ILE C 1 1 35 42077 1 1 37 ILE CA C 5.533 8.288 2.671 1.00 . A A . 37 ILE CA 1 1 35 42078 1 1 37 ILE CB C 4.364 7.417 2.181 1.00 . A A . 37 ILE CB 1 1 35 42079 1 1 37 ILE CD1 C 3.275 9.185 0.656 1.00 . A A . 37 ILE CD1 1 1 35 42080 1 1 37 ILE CG1 C 3.928 7.803 0.770 1.00 . A A . 37 ILE CG1 1 1 35 42081 1 1 37 ILE CG2 C 3.175 7.447 3.155 1.00 . A A . 37 ILE CG2 1 1 35 42082 1 1 37 ILE H H 7.184 7.367 1.616 1.00 . A A . 37 ILE H 1 1 35 42083 1 1 37 ILE HA H 5.181 9.308 2.797 1.00 . A A . 37 ILE HA 1 1 35 42084 1 1 37 ILE HB H 4.702 6.382 2.122 1.00 . A A . 37 ILE HB 1 1 35 42085 1 1 37 ILE HD11 H 3.997 9.976 0.850 1.00 . A A . 37 ILE HD11 1 1 35 42086 1 1 37 ILE HD12 H 2.882 9.299 -0.352 1.00 . A A . 37 ILE HD12 1 1 35 42087 1 1 37 ILE HD13 H 2.438 9.280 1.345 1.00 . A A . 37 ILE HD13 1 1 35 42088 1 1 37 ILE HG12 H 4.812 7.735 0.140 1.00 . A A . 37 ILE HG12 1 1 35 42089 1 1 37 ILE HG13 H 3.207 7.068 0.427 1.00 . A A . 37 ILE HG13 1 1 35 42090 1 1 37 ILE HG21 H 2.310 6.966 2.699 1.00 . A A . 37 ILE HG21 1 1 35 42091 1 1 37 ILE HG22 H 3.421 6.909 4.071 1.00 . A A . 37 ILE HG22 1 1 35 42092 1 1 37 ILE HG23 H 2.917 8.473 3.414 1.00 . A A . 37 ILE HG23 1 1 35 42093 1 1 37 ILE N N 6.668 8.236 1.739 1.00 . A A . 37 ILE N 1 1 35 42094 1 1 37 ILE O O 5.761 8.457 5.053 1.00 . A A . 37 ILE O 1 1 35 42095 1 1 38 ALA C C 5.564 5.046 5.603 1.00 . A A . 38 ALA C 1 1 35 42096 1 1 38 ALA CA C 6.843 5.731 5.143 1.00 . A A . 38 ALA CA 1 1 35 42097 1 1 38 ALA CB C 7.564 6.463 6.262 1.00 . A A . 38 ALA CB 1 1 35 42098 1 1 38 ALA H H 6.623 6.196 3.101 1.00 . A A . 38 ALA H 1 1 35 42099 1 1 38 ALA HA H 7.525 4.958 4.781 1.00 . A A . 38 ALA HA 1 1 35 42100 1 1 38 ALA HB1 H 8.392 7.002 5.807 1.00 . A A . 38 ALA HB1 1 1 35 42101 1 1 38 ALA HB2 H 6.890 7.149 6.770 1.00 . A A . 38 ALA HB2 1 1 35 42102 1 1 38 ALA HB3 H 7.923 5.726 6.980 1.00 . A A . 38 ALA HB3 1 1 35 42103 1 1 38 ALA N N 6.553 6.599 4.016 1.00 . A A . 38 ALA N 1 1 35 42104 1 1 38 ALA O O 4.963 5.381 6.624 1.00 . A A . 38 ALA O 1 1 35 42105 1 1 39 ILE C C 4.792 2.202 6.240 1.00 . A A . 39 ILE C 1 1 35 42106 1 1 39 ILE CA C 4.138 3.124 5.206 1.00 . A A . 39 ILE CA 1 1 35 42107 1 1 39 ILE CB C 3.615 2.408 3.961 1.00 . A A . 39 ILE CB 1 1 35 42108 1 1 39 ILE CD1 C 1.599 4.032 3.513 1.00 . A A . 39 ILE CD1 1 1 35 42109 1 1 39 ILE CG1 C 2.906 3.397 3.019 1.00 . A A . 39 ILE CG1 1 1 35 42110 1 1 39 ILE CG2 C 2.717 1.219 4.280 1.00 . A A . 39 ILE CG2 1 1 35 42111 1 1 39 ILE H H 5.685 3.850 3.978 1.00 . A A . 39 ILE H 1 1 35 42112 1 1 39 ILE HA H 3.304 3.652 5.669 1.00 . A A . 39 ILE HA 1 1 35 42113 1 1 39 ILE HB H 4.488 2.011 3.448 1.00 . A A . 39 ILE HB 1 1 35 42114 1 1 39 ILE HD11 H 1.215 4.685 2.731 1.00 . A A . 39 ILE HD11 1 1 35 42115 1 1 39 ILE HD12 H 0.840 3.281 3.723 1.00 . A A . 39 ILE HD12 1 1 35 42116 1 1 39 ILE HD13 H 1.773 4.634 4.404 1.00 . A A . 39 ILE HD13 1 1 35 42117 1 1 39 ILE HG12 H 3.583 4.220 2.814 1.00 . A A . 39 ILE HG12 1 1 35 42118 1 1 39 ILE HG13 H 2.700 2.872 2.091 1.00 . A A . 39 ILE HG13 1 1 35 42119 1 1 39 ILE HG21 H 1.777 1.566 4.699 1.00 . A A . 39 ILE HG21 1 1 35 42120 1 1 39 ILE HG22 H 2.528 0.655 3.370 1.00 . A A . 39 ILE HG22 1 1 35 42121 1 1 39 ILE HG23 H 3.217 0.559 4.984 1.00 . A A . 39 ILE HG23 1 1 35 42122 1 1 39 ILE N N 5.146 4.074 4.801 1.00 . A A . 39 ILE N 1 1 35 42123 1 1 39 ILE O O 5.750 1.494 5.943 1.00 . A A . 39 ILE O 1 1 35 42124 1 1 40 ASP C C 3.282 0.896 9.121 1.00 . A A . 40 ASP C 1 1 35 42125 1 1 40 ASP CA C 4.591 1.536 8.656 1.00 . A A . 40 ASP CA 1 1 35 42126 1 1 40 ASP CB C 5.076 2.497 9.762 1.00 . A A . 40 ASP CB 1 1 35 42127 1 1 40 ASP CG C 6.329 3.313 9.445 1.00 . A A . 40 ASP CG 1 1 35 42128 1 1 40 ASP H H 3.398 2.803 7.484 1.00 . A A . 40 ASP H 1 1 35 42129 1 1 40 ASP HA H 5.346 0.777 8.448 1.00 . A A . 40 ASP HA 1 1 35 42130 1 1 40 ASP HB2 H 4.275 3.197 9.985 1.00 . A A . 40 ASP HB2 1 1 35 42131 1 1 40 ASP HB3 H 5.296 1.918 10.658 1.00 . A A . 40 ASP HB3 1 1 35 42132 1 1 40 ASP N N 4.248 2.276 7.451 1.00 . A A . 40 ASP N 1 1 35 42133 1 1 40 ASP O O 2.218 1.283 8.639 1.00 . A A . 40 ASP O 1 1 35 42134 1 1 40 ASP OD1 O 7.128 2.866 8.600 1.00 . A A . 40 ASP OD1 1 1 35 42135 1 1 40 ASP OD2 O 6.483 4.366 10.107 1.00 . A A . 40 ASP OD2 1 1 35 42136 1 1 41 LYS C C 1.075 0.471 11.016 1.00 . A A . 41 LYS C 1 1 35 42137 1 1 41 LYS CA C 2.100 -0.618 10.665 1.00 . A A . 41 LYS CA 1 1 35 42138 1 1 41 LYS CB C 2.481 -1.504 11.865 1.00 . A A . 41 LYS CB 1 1 35 42139 1 1 41 LYS CD C 1.101 -2.036 13.977 1.00 . A A . 41 LYS CD 1 1 35 42140 1 1 41 LYS CE C 0.615 -0.611 14.296 1.00 . A A . 41 LYS CE 1 1 35 42141 1 1 41 LYS CG C 1.286 -2.265 12.468 1.00 . A A . 41 LYS CG 1 1 35 42142 1 1 41 LYS H H 4.216 -0.280 10.467 1.00 . A A . 41 LYS H 1 1 35 42143 1 1 41 LYS HA H 1.645 -1.259 9.910 1.00 . A A . 41 LYS HA 1 1 35 42144 1 1 41 LYS HB2 H 3.195 -2.255 11.514 1.00 . A A . 41 LYS HB2 1 1 35 42145 1 1 41 LYS HB3 H 2.977 -0.905 12.626 1.00 . A A . 41 LYS HB3 1 1 35 42146 1 1 41 LYS HD2 H 0.357 -2.757 14.323 1.00 . A A . 41 LYS HD2 1 1 35 42147 1 1 41 LYS HD3 H 2.045 -2.245 14.485 1.00 . A A . 41 LYS HD3 1 1 35 42148 1 1 41 LYS HE2 H 1.402 0.104 14.057 1.00 . A A . 41 LYS HE2 1 1 35 42149 1 1 41 LYS HE3 H -0.265 -0.384 13.689 1.00 . A A . 41 LYS HE3 1 1 35 42150 1 1 41 LYS HG2 H 0.362 -2.015 11.948 1.00 . A A . 41 LYS HG2 1 1 35 42151 1 1 41 LYS HG3 H 1.460 -3.332 12.308 1.00 . A A . 41 LYS HG3 1 1 35 42152 1 1 41 LYS HZ1 H 1.061 -0.626 16.309 1.00 . A A . 41 LYS HZ1 1 1 35 42153 1 1 41 LYS HZ2 H -0.057 0.501 15.887 1.00 . A A . 41 LYS HZ2 1 1 35 42154 1 1 41 LYS HZ3 H -0.488 -1.079 15.976 1.00 . A A . 41 LYS HZ3 1 1 35 42155 1 1 41 LYS N N 3.313 -0.006 10.109 1.00 . A A . 41 LYS N 1 1 35 42156 1 1 41 LYS NZ N 0.258 -0.445 15.722 1.00 . A A . 41 LYS NZ 1 1 35 42157 1 1 41 LYS O O -0.067 0.447 10.548 1.00 . A A . 41 LYS O 1 1 35 42158 1 1 42 LYS C C 0.263 3.536 11.064 1.00 . A A . 42 LYS C 1 1 35 42159 1 1 42 LYS CA C 0.773 2.647 12.211 1.00 . A A . 42 LYS CA 1 1 35 42160 1 1 42 LYS CB C 1.655 3.487 13.156 1.00 . A A . 42 LYS CB 1 1 35 42161 1 1 42 LYS CD C 3.703 5.058 13.152 1.00 . A A . 42 LYS CD 1 1 35 42162 1 1 42 LYS CE C 4.963 5.278 12.302 1.00 . A A . 42 LYS CE 1 1 35 42163 1 1 42 LYS CG C 2.938 3.936 12.440 1.00 . A A . 42 LYS CG 1 1 35 42164 1 1 42 LYS H H 2.501 1.415 12.043 1.00 . A A . 42 LYS H 1 1 35 42165 1 1 42 LYS HA H -0.104 2.298 12.757 1.00 . A A . 42 LYS HA 1 1 35 42166 1 1 42 LYS HB2 H 1.095 4.366 13.481 1.00 . A A . 42 LYS HB2 1 1 35 42167 1 1 42 LYS HB3 H 1.919 2.902 14.039 1.00 . A A . 42 LYS HB3 1 1 35 42168 1 1 42 LYS HD2 H 3.084 5.956 13.181 1.00 . A A . 42 LYS HD2 1 1 35 42169 1 1 42 LYS HD3 H 3.963 4.751 14.168 1.00 . A A . 42 LYS HD3 1 1 35 42170 1 1 42 LYS HE2 H 5.569 4.371 12.336 1.00 . A A . 42 LYS HE2 1 1 35 42171 1 1 42 LYS HE3 H 4.666 5.470 11.269 1.00 . A A . 42 LYS HE3 1 1 35 42172 1 1 42 LYS HG2 H 3.604 3.081 12.330 1.00 . A A . 42 LYS HG2 1 1 35 42173 1 1 42 LYS HG3 H 2.686 4.308 11.446 1.00 . A A . 42 LYS HG3 1 1 35 42174 1 1 42 LYS HZ1 H 6.602 6.424 12.085 1.00 . A A . 42 LYS HZ1 1 1 35 42175 1 1 42 LYS HZ2 H 5.312 7.276 12.654 1.00 . A A . 42 LYS HZ2 1 1 35 42176 1 1 42 LYS HZ3 H 6.154 6.266 13.664 1.00 . A A . 42 LYS HZ3 1 1 35 42177 1 1 42 LYS N N 1.531 1.473 11.776 1.00 . A A . 42 LYS N 1 1 35 42178 1 1 42 LYS NZ N 5.814 6.403 12.724 1.00 . A A . 42 LYS NZ 1 1 35 42179 1 1 42 LYS O O -0.351 4.563 11.331 1.00 . A A . 42 LYS O 1 1 35 42180 1 1 43 SER C C -0.029 3.088 7.427 1.00 . A A . 43 SER C 1 1 35 42181 1 1 43 SER CA C 0.364 3.980 8.615 1.00 . A A . 43 SER CA 1 1 35 42182 1 1 43 SER CB C 1.698 4.650 8.329 1.00 . A A . 43 SER CB 1 1 35 42183 1 1 43 SER H H 1.104 2.339 9.669 1.00 . A A . 43 SER H 1 1 35 42184 1 1 43 SER HA H -0.403 4.742 8.744 1.00 . A A . 43 SER HA 1 1 35 42185 1 1 43 SER HB2 H 2.474 3.928 8.556 1.00 . A A . 43 SER HB2 1 1 35 42186 1 1 43 SER HB3 H 1.737 4.892 7.273 1.00 . A A . 43 SER HB3 1 1 35 42187 1 1 43 SER HG H 2.705 6.228 8.847 1.00 . A A . 43 SER HG 1 1 35 42188 1 1 43 SER N N 0.558 3.180 9.814 1.00 . A A . 43 SER N 1 1 35 42189 1 1 43 SER O O 0.087 3.491 6.273 1.00 . A A . 43 SER O 1 1 35 42190 1 1 43 SER OG O 1.901 5.789 9.142 1.00 . A A . 43 SER OG 1 1 35 42191 1 1 44 ALA C C -2.052 0.108 7.298 1.00 . A A . 44 ALA C 1 1 35 42192 1 1 44 ALA CA C -0.825 0.827 6.770 1.00 . A A . 44 ALA CA 1 1 35 42193 1 1 44 ALA CB C 0.332 -0.164 6.655 1.00 . A A . 44 ALA CB 1 1 35 42194 1 1 44 ALA H H -0.498 1.649 8.697 1.00 . A A . 44 ALA H 1 1 35 42195 1 1 44 ALA HA H -1.025 1.230 5.780 1.00 . A A . 44 ALA HA 1 1 35 42196 1 1 44 ALA HB1 H 1.232 0.365 6.361 1.00 . A A . 44 ALA HB1 1 1 35 42197 1 1 44 ALA HB2 H 0.534 -0.666 7.600 1.00 . A A . 44 ALA HB2 1 1 35 42198 1 1 44 ALA HB3 H 0.081 -0.910 5.902 1.00 . A A . 44 ALA HB3 1 1 35 42199 1 1 44 ALA N N -0.488 1.876 7.721 1.00 . A A . 44 ALA N 1 1 35 42200 1 1 44 ALA O O -3.116 0.105 6.674 1.00 . A A . 44 ALA O 1 1 35 42201 1 1 45 HIS C C -3.732 -0.254 10.089 1.00 . A A . 45 HIS C 1 1 35 42202 1 1 45 HIS CA C -2.896 -1.195 9.220 1.00 . A A . 45 HIS CA 1 1 35 42203 1 1 45 HIS CB C -2.263 -2.305 10.079 1.00 . A A . 45 HIS CB 1 1 35 42204 1 1 45 HIS CD2 C -1.059 -4.059 8.648 1.00 . A A . 45 HIS CD2 1 1 35 42205 1 1 45 HIS CE1 C -2.226 -5.837 9.153 1.00 . A A . 45 HIS CE1 1 1 35 42206 1 1 45 HIS CG C -2.120 -3.654 9.410 1.00 . A A . 45 HIS CG 1 1 35 42207 1 1 45 HIS H H -0.994 -0.205 8.975 1.00 . A A . 45 HIS H 1 1 35 42208 1 1 45 HIS HA H -3.579 -1.666 8.511 1.00 . A A . 45 HIS HA 1 1 35 42209 1 1 45 HIS HB2 H -1.284 -1.975 10.422 1.00 . A A . 45 HIS HB2 1 1 35 42210 1 1 45 HIS HB3 H -2.879 -2.467 10.965 1.00 . A A . 45 HIS HB3 1 1 35 42211 1 1 45 HIS HD1 H -3.652 -4.827 10.325 1.00 . A A . 45 HIS HD1 1 1 35 42212 1 1 45 HIS HD2 H -0.266 -3.408 8.326 1.00 . A A . 45 HIS HD2 1 1 35 42213 1 1 45 HIS HE1 H -2.526 -6.865 9.274 1.00 . A A . 45 HIS HE1 1 1 35 42214 1 1 45 HIS N N -1.870 -0.445 8.500 1.00 . A A . 45 HIS N 1 1 35 42215 1 1 45 HIS ND1 N -2.847 -4.784 9.718 1.00 . A A . 45 HIS ND1 1 1 35 42216 1 1 45 HIS NE2 N -1.123 -5.452 8.493 1.00 . A A . 45 HIS NE2 1 1 35 42217 1 1 45 HIS O O -4.715 -0.693 10.678 1.00 . A A . 45 HIS O 1 1 35 42218 1 1 46 LYS C C -5.515 2.138 10.089 1.00 . A A . 46 LYS C 1 1 35 42219 1 1 46 LYS CA C -4.202 2.010 10.852 1.00 . A A . 46 LYS CA 1 1 35 42220 1 1 46 LYS CB C -3.467 3.348 11.040 1.00 . A A . 46 LYS CB 1 1 35 42221 1 1 46 LYS CD C -4.272 5.177 9.418 1.00 . A A . 46 LYS CD 1 1 35 42222 1 1 46 LYS CE C -3.878 5.972 8.163 1.00 . A A . 46 LYS CE 1 1 35 42223 1 1 46 LYS CG C -3.156 4.190 9.789 1.00 . A A . 46 LYS CG 1 1 35 42224 1 1 46 LYS H H -2.550 1.336 9.664 1.00 . A A . 46 LYS H 1 1 35 42225 1 1 46 LYS HA H -4.438 1.643 11.850 1.00 . A A . 46 LYS HA 1 1 35 42226 1 1 46 LYS HB2 H -4.044 3.961 11.732 1.00 . A A . 46 LYS HB2 1 1 35 42227 1 1 46 LYS HB3 H -2.521 3.104 11.522 1.00 . A A . 46 LYS HB3 1 1 35 42228 1 1 46 LYS HD2 H -5.209 4.654 9.256 1.00 . A A . 46 LYS HD2 1 1 35 42229 1 1 46 LYS HD3 H -4.425 5.861 10.256 1.00 . A A . 46 LYS HD3 1 1 35 42230 1 1 46 LYS HE2 H -3.175 6.760 8.443 1.00 . A A . 46 LYS HE2 1 1 35 42231 1 1 46 LYS HE3 H -3.383 5.311 7.447 1.00 . A A . 46 LYS HE3 1 1 35 42232 1 1 46 LYS HG2 H -2.301 4.817 10.025 1.00 . A A . 46 LYS HG2 1 1 35 42233 1 1 46 LYS HG3 H -2.880 3.547 8.954 1.00 . A A . 46 LYS HG3 1 1 35 42234 1 1 46 LYS HZ1 H -5.607 5.796 7.090 1.00 . A A . 46 LYS HZ1 1 1 35 42235 1 1 46 LYS HZ2 H -5.620 7.092 8.124 1.00 . A A . 46 LYS HZ2 1 1 35 42236 1 1 46 LYS HZ3 H -4.755 7.143 6.717 1.00 . A A . 46 LYS HZ3 1 1 35 42237 1 1 46 LYS N N -3.361 1.031 10.176 1.00 . A A . 46 LYS N 1 1 35 42238 1 1 46 LYS NZ N -5.052 6.556 7.484 1.00 . A A . 46 LYS NZ 1 1 35 42239 1 1 46 LYS O O -6.586 2.122 10.683 1.00 . A A . 46 LYS O 1 1 35 42240 1 1 47 ASP C C -5.617 3.108 6.560 1.00 . A A . 47 ASP C 1 1 35 42241 1 1 47 ASP CA C -6.348 2.422 7.723 1.00 . A A . 47 ASP CA 1 1 35 42242 1 1 47 ASP CB C -7.587 3.234 8.153 1.00 . A A . 47 ASP CB 1 1 35 42243 1 1 47 ASP CG C -8.846 2.401 8.375 1.00 . A A . 47 ASP CG 1 1 35 42244 1 1 47 ASP H H -4.417 2.253 8.432 1.00 . A A . 47 ASP H 1 1 35 42245 1 1 47 ASP HA H -6.620 1.406 7.443 1.00 . A A . 47 ASP HA 1 1 35 42246 1 1 47 ASP HB2 H -7.374 3.837 9.030 1.00 . A A . 47 ASP HB2 1 1 35 42247 1 1 47 ASP HB3 H -7.865 3.912 7.355 1.00 . A A . 47 ASP HB3 1 1 35 42248 1 1 47 ASP N N -5.361 2.269 8.769 1.00 . A A . 47 ASP N 1 1 35 42249 1 1 47 ASP O O -5.803 4.302 6.313 1.00 . A A . 47 ASP O 1 1 35 42250 1 1 47 ASP OD1 O -9.062 1.464 7.573 1.00 . A A . 47 ASP OD1 1 1 35 42251 1 1 47 ASP OD2 O -9.621 2.773 9.281 1.00 . A A . 47 ASP OD2 1 1 35 42252 1 1 48 ALA C C -4.421 1.749 3.567 1.00 . A A . 48 ALA C 1 1 35 42253 1 1 48 ALA CA C -4.132 2.817 4.625 1.00 . A A . 48 ALA CA 1 1 35 42254 1 1 48 ALA CB C -2.639 3.174 4.766 1.00 . A A . 48 ALA CB 1 1 35 42255 1 1 48 ALA H H -4.498 1.458 6.251 1.00 . A A . 48 ALA H 1 1 35 42256 1 1 48 ALA HA H -4.638 3.720 4.277 1.00 . A A . 48 ALA HA 1 1 35 42257 1 1 48 ALA HB1 H -1.986 2.528 4.176 1.00 . A A . 48 ALA HB1 1 1 35 42258 1 1 48 ALA HB2 H -2.465 4.191 4.408 1.00 . A A . 48 ALA HB2 1 1 35 42259 1 1 48 ALA HB3 H -2.342 3.124 5.815 1.00 . A A . 48 ALA HB3 1 1 35 42260 1 1 48 ALA N N -4.700 2.391 5.905 1.00 . A A . 48 ALA N 1 1 35 42261 1 1 48 ALA O O -5.339 1.896 2.757 1.00 . A A . 48 ALA O 1 1 35 42262 1 1 49 CYS C C -5.119 -1.132 2.846 1.00 . A A . 49 CYS C 1 1 35 42263 1 1 49 CYS CA C -3.803 -0.395 2.585 1.00 . A A . 49 CYS CA 1 1 35 42264 1 1 49 CYS CB C -2.646 -1.361 2.627 1.00 . A A . 49 CYS CB 1 1 35 42265 1 1 49 CYS H H -2.922 0.578 4.268 1.00 . A A . 49 CYS H 1 1 35 42266 1 1 49 CYS HA H -3.843 0.057 1.594 1.00 . A A . 49 CYS HA 1 1 35 42267 1 1 49 CYS HB2 H -2.795 -1.996 3.479 1.00 . A A . 49 CYS HB2 1 1 35 42268 1 1 49 CYS HB3 H -2.652 -1.994 1.740 1.00 . A A . 49 CYS HB3 1 1 35 42269 1 1 49 CYS N N -3.649 0.661 3.574 1.00 . A A . 49 CYS N 1 1 35 42270 1 1 49 CYS O O -5.949 -1.291 1.949 1.00 . A A . 49 CYS O 1 1 35 42271 1 1 49 CYS SG S -1.007 -0.625 2.897 1.00 . A A . 49 CYS SG 1 1 35 42272 1 1 50 LYS C C -7.734 -1.364 4.660 1.00 . A A . 50 LYS C 1 1 35 42273 1 1 50 LYS CA C -6.544 -2.319 4.463 1.00 . A A . 50 LYS CA 1 1 35 42274 1 1 50 LYS CB C -6.235 -3.186 5.699 1.00 . A A . 50 LYS CB 1 1 35 42275 1 1 50 LYS CD C -7.225 -5.457 5.038 1.00 . A A . 50 LYS CD 1 1 35 42276 1 1 50 LYS CE C -8.470 -6.356 5.127 1.00 . A A . 50 LYS CE 1 1 35 42277 1 1 50 LYS CG C -7.291 -4.264 6.008 1.00 . A A . 50 LYS CG 1 1 35 42278 1 1 50 LYS H H -4.671 -1.358 4.810 1.00 . A A . 50 LYS H 1 1 35 42279 1 1 50 LYS HA H -6.794 -2.979 3.633 1.00 . A A . 50 LYS HA 1 1 35 42280 1 1 50 LYS HB2 H -5.274 -3.685 5.557 1.00 . A A . 50 LYS HB2 1 1 35 42281 1 1 50 LYS HB3 H -6.145 -2.525 6.563 1.00 . A A . 50 LYS HB3 1 1 35 42282 1 1 50 LYS HD2 H -7.169 -5.098 4.010 1.00 . A A . 50 LYS HD2 1 1 35 42283 1 1 50 LYS HD3 H -6.319 -6.034 5.234 1.00 . A A . 50 LYS HD3 1 1 35 42284 1 1 50 LYS HE2 H -9.348 -5.780 4.824 1.00 . A A . 50 LYS HE2 1 1 35 42285 1 1 50 LYS HE3 H -8.354 -7.187 4.428 1.00 . A A . 50 LYS HE3 1 1 35 42286 1 1 50 LYS HG2 H -7.095 -4.612 7.023 1.00 . A A . 50 LYS HG2 1 1 35 42287 1 1 50 LYS HG3 H -8.286 -3.820 5.988 1.00 . A A . 50 LYS HG3 1 1 35 42288 1 1 50 LYS HZ1 H -8.857 -6.143 7.136 1.00 . A A . 50 LYS HZ1 1 1 35 42289 1 1 50 LYS HZ2 H -9.505 -7.501 6.476 1.00 . A A . 50 LYS HZ2 1 1 35 42290 1 1 50 LYS HZ3 H -7.893 -7.433 6.784 1.00 . A A . 50 LYS HZ3 1 1 35 42291 1 1 50 LYS N N -5.348 -1.570 4.090 1.00 . A A . 50 LYS N 1 1 35 42292 1 1 50 LYS NZ N -8.694 -6.896 6.484 1.00 . A A . 50 LYS NZ 1 1 35 42293 1 1 50 LYS O O -8.458 -1.451 5.647 1.00 . A A . 50 LYS O 1 1 35 42294 1 1 51 THR C C -9.439 0.697 2.229 1.00 . A A . 51 THR C 1 1 35 42295 1 1 51 THR CA C -9.000 0.521 3.670 1.00 . A A . 51 THR CA 1 1 35 42296 1 1 51 THR CB C -8.478 1.853 4.225 1.00 . A A . 51 THR CB 1 1 35 42297 1 1 51 THR CG2 C -9.609 2.813 4.600 1.00 . A A . 51 THR CG2 1 1 35 42298 1 1 51 THR H H -7.308 -0.505 2.902 1.00 . A A . 51 THR H 1 1 35 42299 1 1 51 THR HA H -9.846 0.180 4.270 1.00 . A A . 51 THR HA 1 1 35 42300 1 1 51 THR HB H -7.827 2.352 3.507 1.00 . A A . 51 THR HB 1 1 35 42301 1 1 51 THR HG1 H -8.290 1.340 6.087 1.00 . A A . 51 THR HG1 1 1 35 42302 1 1 51 THR HG21 H -10.197 3.066 3.717 1.00 . A A . 51 THR HG21 1 1 35 42303 1 1 51 THR HG22 H -10.258 2.355 5.348 1.00 . A A . 51 THR HG22 1 1 35 42304 1 1 51 THR HG23 H -9.184 3.726 5.016 1.00 . A A . 51 THR HG23 1 1 35 42305 1 1 51 THR N N -7.947 -0.481 3.685 1.00 . A A . 51 THR N 1 1 35 42306 1 1 51 THR O O -10.603 0.498 1.903 1.00 . A A . 51 THR O 1 1 35 42307 1 1 51 THR OG1 O -7.698 1.583 5.351 1.00 . A A . 51 THR OG1 1 1 35 42308 1 1 52 CYS C C -9.495 0.342 -0.752 1.00 . A A . 52 CYS C 1 1 35 42309 1 1 52 CYS CA C -8.746 1.435 -0.005 1.00 . A A . 52 CYS CA 1 1 35 42310 1 1 52 CYS CB C -7.443 1.726 -0.696 1.00 . A A . 52 CYS CB 1 1 35 42311 1 1 52 CYS H H -7.545 1.211 1.724 1.00 . A A . 52 CYS H 1 1 35 42312 1 1 52 CYS HA H -9.380 2.323 -0.005 1.00 . A A . 52 CYS HA 1 1 35 42313 1 1 52 CYS HB2 H -6.585 1.548 -0.050 1.00 . A A . 52 CYS HB2 1 1 35 42314 1 1 52 CYS HB3 H -7.346 1.075 -1.566 1.00 . A A . 52 CYS HB3 1 1 35 42315 1 1 52 CYS N N -8.485 1.070 1.374 1.00 . A A . 52 CYS N 1 1 35 42316 1 1 52 CYS O O -10.501 0.605 -1.405 1.00 . A A . 52 CYS O 1 1 35 42317 1 1 52 CYS SG S -7.424 3.450 -1.239 1.00 . A A . 52 CYS SG 1 1 35 42318 1 1 53 HIS C C -10.854 -2.501 -1.249 1.00 . A A . 53 HIS C 1 1 35 42319 1 1 53 HIS CA C -9.420 -1.985 -1.534 1.00 . A A . 53 HIS CA 1 1 35 42320 1 1 53 HIS CB C -8.355 -3.109 -1.487 1.00 . A A . 53 HIS CB 1 1 35 42321 1 1 53 HIS CD2 C -6.133 -2.451 -2.679 1.00 . A A . 53 HIS CD2 1 1 35 42322 1 1 53 HIS CE1 C -4.934 -1.926 -0.941 1.00 . A A . 53 HIS CE1 1 1 35 42323 1 1 53 HIS CG C -6.907 -2.657 -1.562 1.00 . A A . 53 HIS CG 1 1 35 42324 1 1 53 HIS H H -8.186 -1.024 -0.089 1.00 . A A . 53 HIS H 1 1 35 42325 1 1 53 HIS HA H -9.420 -1.583 -2.545 1.00 . A A . 53 HIS HA 1 1 35 42326 1 1 53 HIS HB2 H -8.490 -3.669 -0.562 1.00 . A A . 53 HIS HB2 1 1 35 42327 1 1 53 HIS HB3 H -8.540 -3.818 -2.294 1.00 . A A . 53 HIS HB3 1 1 35 42328 1 1 53 HIS HD1 H -6.365 -2.254 0.511 1.00 . A A . 53 HIS HD1 1 1 35 42329 1 1 53 HIS HD2 H -6.387 -2.605 -3.711 1.00 . A A . 53 HIS HD2 1 1 35 42330 1 1 53 HIS HE1 H -4.132 -1.560 -0.332 1.00 . A A . 53 HIS HE1 1 1 35 42331 1 1 53 HIS N N -9.012 -0.899 -0.652 1.00 . A A . 53 HIS N 1 1 35 42332 1 1 53 HIS ND1 N -6.126 -2.327 -0.477 1.00 . A A . 53 HIS ND1 1 1 35 42333 1 1 53 HIS NE2 N -4.882 -1.971 -2.274 1.00 . A A . 53 HIS NE2 1 1 35 42334 1 1 53 HIS O O -11.161 -3.635 -1.614 1.00 . A A . 53 HIS O 1 1 35 42335 1 1 54 LYS C C -13.790 -3.089 -0.899 1.00 . A A . 54 LYS C 1 1 35 42336 1 1 54 LYS CA C -13.073 -1.975 -0.136 1.00 . A A . 54 LYS CA 1 1 35 42337 1 1 54 LYS CB C -13.952 -0.717 -0.173 1.00 . A A . 54 LYS CB 1 1 35 42338 1 1 54 LYS CD C -13.515 0.178 2.209 1.00 . A A . 54 LYS CD 1 1 35 42339 1 1 54 LYS CE C -14.936 -0.039 2.750 1.00 . A A . 54 LYS CE 1 1 35 42340 1 1 54 LYS CG C -13.479 0.443 0.698 1.00 . A A . 54 LYS CG 1 1 35 42341 1 1 54 LYS H H -11.392 -0.745 -0.453 1.00 . A A . 54 LYS H 1 1 35 42342 1 1 54 LYS HA H -13.009 -2.252 0.910 1.00 . A A . 54 LYS HA 1 1 35 42343 1 1 54 LYS HB2 H -14.017 -0.348 -1.197 1.00 . A A . 54 LYS HB2 1 1 35 42344 1 1 54 LYS HB3 H -14.950 -0.988 0.162 1.00 . A A . 54 LYS HB3 1 1 35 42345 1 1 54 LYS HD2 H -12.891 -0.685 2.429 1.00 . A A . 54 LYS HD2 1 1 35 42346 1 1 54 LYS HD3 H -13.069 1.054 2.684 1.00 . A A . 54 LYS HD3 1 1 35 42347 1 1 54 LYS HE2 H -15.605 0.717 2.333 1.00 . A A . 54 LYS HE2 1 1 35 42348 1 1 54 LYS HE3 H -15.295 -1.025 2.445 1.00 . A A . 54 LYS HE3 1 1 35 42349 1 1 54 LYS HG2 H -12.483 0.754 0.387 1.00 . A A . 54 LYS HG2 1 1 35 42350 1 1 54 LYS HG3 H -14.147 1.265 0.487 1.00 . A A . 54 LYS HG3 1 1 35 42351 1 1 54 LYS HZ1 H -14.366 -0.631 4.641 1.00 . A A . 54 LYS HZ1 1 1 35 42352 1 1 54 LYS HZ2 H -14.702 0.975 4.525 1.00 . A A . 54 LYS HZ2 1 1 35 42353 1 1 54 LYS HZ3 H -15.926 -0.118 4.549 1.00 . A A . 54 LYS HZ3 1 1 35 42354 1 1 54 LYS N N -11.722 -1.686 -0.623 1.00 . A A . 54 LYS N 1 1 35 42355 1 1 54 LYS NZ N -14.984 0.052 4.224 1.00 . A A . 54 LYS NZ 1 1 35 42356 1 1 54 LYS O O -14.110 -4.127 -0.327 1.00 . A A . 54 LYS O 1 1 35 42357 1 1 55 SER C C -14.001 -4.174 -4.203 1.00 . A A . 55 SER C 1 1 35 42358 1 1 55 SER CA C -14.869 -3.699 -3.038 1.00 . A A . 55 SER CA 1 1 35 42359 1 1 55 SER CB C -16.116 -2.946 -3.527 1.00 . A A . 55 SER CB 1 1 35 42360 1 1 55 SER H H -13.746 -1.961 -2.568 1.00 . A A . 55 SER H 1 1 35 42361 1 1 55 SER HA H -15.201 -4.584 -2.492 1.00 . A A . 55 SER HA 1 1 35 42362 1 1 55 SER HB2 H -16.680 -2.570 -2.674 1.00 . A A . 55 SER HB2 1 1 35 42363 1 1 55 SER HB3 H -15.816 -2.107 -4.158 1.00 . A A . 55 SER HB3 1 1 35 42364 1 1 55 SER HG H -16.413 -4.208 -4.967 1.00 . A A . 55 SER HG 1 1 35 42365 1 1 55 SER N N -14.096 -2.820 -2.172 1.00 . A A . 55 SER N 1 1 35 42366 1 1 55 SER O O -14.531 -4.457 -5.278 1.00 . A A . 55 SER O 1 1 35 42367 1 1 55 SER OG O -16.956 -3.803 -4.275 1.00 . A A . 55 SER OG 1 1 35 42368 1 1 56 ASN C C -11.614 -6.316 -4.522 1.00 . A A . 56 ASN C 1 1 35 42369 1 1 56 ASN CA C -11.773 -4.856 -4.957 1.00 . A A . 56 ASN CA 1 1 35 42370 1 1 56 ASN CB C -10.450 -4.070 -4.997 1.00 . A A . 56 ASN CB 1 1 35 42371 1 1 56 ASN CG C -10.632 -2.591 -5.345 1.00 . A A . 56 ASN CG 1 1 35 42372 1 1 56 ASN H H -12.321 -4.066 -3.064 1.00 . A A . 56 ASN H 1 1 35 42373 1 1 56 ASN HA H -12.198 -4.844 -5.962 1.00 . A A . 56 ASN HA 1 1 35 42374 1 1 56 ASN HB2 H -9.968 -4.150 -4.025 1.00 . A A . 56 ASN HB2 1 1 35 42375 1 1 56 ASN HB3 H -9.793 -4.501 -5.753 1.00 . A A . 56 ASN HB3 1 1 35 42376 1 1 56 ASN HD21 H -8.727 -2.134 -4.770 1.00 . A A . 56 ASN HD21 1 1 35 42377 1 1 56 ASN HD22 H -9.729 -0.797 -5.309 1.00 . A A . 56 ASN HD22 1 1 35 42378 1 1 56 ASN N N -12.684 -4.250 -3.995 1.00 . A A . 56 ASN N 1 1 35 42379 1 1 56 ASN ND2 N -9.600 -1.781 -5.125 1.00 . A A . 56 ASN ND2 1 1 35 42380 1 1 56 ASN O O -12.547 -6.888 -3.958 1.00 . A A . 56 ASN O 1 1 35 42381 1 1 56 ASN OD1 O -11.686 -2.160 -5.800 1.00 . A A . 56 ASN OD1 1 1 35 42382 1 1 57 ASN C C -10.081 -7.990 -2.562 1.00 . A A . 57 ASN C 1 1 35 42383 1 1 57 ASN CA C -10.188 -8.214 -4.077 1.00 . A A . 57 ASN CA 1 1 35 42384 1 1 57 ASN CB C -8.949 -8.904 -4.664 1.00 . A A . 57 ASN CB 1 1 35 42385 1 1 57 ASN CG C -7.666 -8.531 -3.932 1.00 . A A . 57 ASN CG 1 1 35 42386 1 1 57 ASN H H -9.676 -6.438 -5.143 1.00 . A A . 57 ASN H 1 1 35 42387 1 1 57 ASN HA H -11.039 -8.866 -4.282 1.00 . A A . 57 ASN HA 1 1 35 42388 1 1 57 ASN HB2 H -9.079 -9.980 -4.547 1.00 . A A . 57 ASN HB2 1 1 35 42389 1 1 57 ASN HB3 H -8.865 -8.694 -5.731 1.00 . A A . 57 ASN HB3 1 1 35 42390 1 1 57 ASN HD21 H -7.140 -7.133 -5.339 1.00 . A A . 57 ASN HD21 1 1 35 42391 1 1 57 ASN HD22 H -5.999 -7.395 -4.029 1.00 . A A . 57 ASN HD22 1 1 35 42392 1 1 57 ASN N N -10.446 -6.932 -4.724 1.00 . A A . 57 ASN N 1 1 35 42393 1 1 57 ASN ND2 N -6.919 -7.571 -4.462 1.00 . A A . 57 ASN ND2 1 1 35 42394 1 1 57 ASN O O -9.643 -6.923 -2.128 1.00 . A A . 57 ASN O 1 1 35 42395 1 1 57 ASN OD1 O -7.361 -9.119 -2.899 1.00 . A A . 57 ASN OD1 1 1 35 42396 1 1 58 GLY C C -9.854 -10.062 0.336 1.00 . A A . 58 GLY C 1 1 35 42397 1 1 58 GLY CA C -10.571 -8.877 -0.314 1.00 . A A . 58 GLY CA 1 1 35 42398 1 1 58 GLY H H -10.834 -9.831 -2.184 1.00 . A A . 58 GLY H 1 1 35 42399 1 1 58 GLY HA2 H -10.186 -7.927 0.051 1.00 . A A . 58 GLY HA2 1 1 35 42400 1 1 58 GLY HA3 H -11.624 -8.927 -0.033 1.00 . A A . 58 GLY HA3 1 1 35 42401 1 1 58 GLY N N -10.502 -8.976 -1.765 1.00 . A A . 58 GLY N 1 1 35 42402 1 1 58 GLY O O -10.437 -11.144 0.405 1.00 . A A . 58 GLY O 1 1 35 42403 1 1 59 PRO C C -8.351 -11.229 2.859 1.00 . A A . 59 PRO C 1 1 35 42404 1 1 59 PRO CA C -7.866 -10.985 1.433 1.00 . A A . 59 PRO CA 1 1 35 42405 1 1 59 PRO CB C -6.398 -10.550 1.380 1.00 . A A . 59 PRO CB 1 1 35 42406 1 1 59 PRO CD C -7.785 -8.704 0.722 1.00 . A A . 59 PRO CD 1 1 35 42407 1 1 59 PRO CG C -6.504 -9.029 1.497 1.00 . A A . 59 PRO CG 1 1 35 42408 1 1 59 PRO HA H -8.033 -11.928 0.900 1.00 . A A . 59 PRO HA 1 1 35 42409 1 1 59 PRO HB2 H -5.788 -10.987 2.172 1.00 . A A . 59 PRO HB2 1 1 35 42410 1 1 59 PRO HB3 H -5.985 -10.806 0.404 1.00 . A A . 59 PRO HB3 1 1 35 42411 1 1 59 PRO HD2 H -8.270 -7.837 1.172 1.00 . A A . 59 PRO HD2 1 1 35 42412 1 1 59 PRO HD3 H -7.545 -8.498 -0.322 1.00 . A A . 59 PRO HD3 1 1 35 42413 1 1 59 PRO HG2 H -6.634 -8.758 2.545 1.00 . A A . 59 PRO HG2 1 1 35 42414 1 1 59 PRO HG3 H -5.631 -8.522 1.080 1.00 . A A . 59 PRO HG3 1 1 35 42415 1 1 59 PRO N N -8.605 -9.902 0.805 1.00 . A A . 59 PRO N 1 1 35 42416 1 1 59 PRO O O -9.188 -10.500 3.393 1.00 . A A . 59 PRO O 1 1 35 42417 1 1 60 THR C C -8.102 -14.092 5.139 1.00 . A A . 60 THR C 1 1 35 42418 1 1 60 THR CA C -8.811 -13.265 4.060 1.00 . A A . 60 THR CA 1 1 35 42419 1 1 60 THR CB C -9.457 -14.079 2.922 1.00 . A A . 60 THR CB 1 1 35 42420 1 1 60 THR CG2 C -8.507 -14.999 2.145 1.00 . A A . 60 THR CG2 1 1 35 42421 1 1 60 THR H H -7.081 -12.770 2.991 1.00 . A A . 60 THR H 1 1 35 42422 1 1 60 THR HA H -9.604 -12.704 4.557 1.00 . A A . 60 THR HA 1 1 35 42423 1 1 60 THR HB H -9.872 -13.365 2.206 1.00 . A A . 60 THR HB 1 1 35 42424 1 1 60 THR HG1 H -11.135 -14.902 2.605 1.00 . A A . 60 THR HG1 1 1 35 42425 1 1 60 THR HG21 H -9.040 -15.421 1.292 1.00 . A A . 60 THR HG21 1 1 35 42426 1 1 60 THR HG22 H -7.647 -14.448 1.766 1.00 . A A . 60 THR HG22 1 1 35 42427 1 1 60 THR HG23 H -8.169 -15.823 2.772 1.00 . A A . 60 THR HG23 1 1 35 42428 1 1 60 THR N N -7.883 -12.342 3.426 1.00 . A A . 60 THR N 1 1 35 42429 1 1 60 THR O O -8.571 -14.174 6.272 1.00 . A A . 60 THR O 1 1 35 42430 1 1 60 THR OG1 O -10.549 -14.834 3.364 1.00 . A A . 60 THR OG1 1 1 35 42431 1 1 61 LYS C C -4.662 -14.708 5.564 1.00 . A A . 61 LYS C 1 1 35 42432 1 1 61 LYS CA C -6.045 -15.330 5.745 1.00 . A A . 61 LYS CA 1 1 35 42433 1 1 61 LYS CB C -6.049 -16.843 5.476 1.00 . A A . 61 LYS CB 1 1 35 42434 1 1 61 LYS CD C -7.772 -17.449 7.246 1.00 . A A . 61 LYS CD 1 1 35 42435 1 1 61 LYS CE C -8.968 -18.341 7.610 1.00 . A A . 61 LYS CE 1 1 35 42436 1 1 61 LYS CG C -7.404 -17.511 5.754 1.00 . A A . 61 LYS CG 1 1 35 42437 1 1 61 LYS H H -6.595 -14.553 3.867 1.00 . A A . 61 LYS H 1 1 35 42438 1 1 61 LYS HA H -6.335 -15.145 6.780 1.00 . A A . 61 LYS HA 1 1 35 42439 1 1 61 LYS HB2 H -5.787 -17.013 4.430 1.00 . A A . 61 LYS HB2 1 1 35 42440 1 1 61 LYS HB3 H -5.288 -17.319 6.096 1.00 . A A . 61 LYS HB3 1 1 35 42441 1 1 61 LYS HD2 H -6.906 -17.715 7.857 1.00 . A A . 61 LYS HD2 1 1 35 42442 1 1 61 LYS HD3 H -8.050 -16.420 7.491 1.00 . A A . 61 LYS HD3 1 1 35 42443 1 1 61 LYS HE2 H -9.269 -18.108 8.634 1.00 . A A . 61 LYS HE2 1 1 35 42444 1 1 61 LYS HE3 H -9.807 -18.112 6.949 1.00 . A A . 61 LYS HE3 1 1 35 42445 1 1 61 LYS HG2 H -8.181 -17.025 5.159 1.00 . A A . 61 LYS HG2 1 1 35 42446 1 1 61 LYS HG3 H -7.315 -18.545 5.422 1.00 . A A . 61 LYS HG3 1 1 35 42447 1 1 61 LYS HZ1 H -8.405 -20.041 6.587 1.00 . A A . 61 LYS HZ1 1 1 35 42448 1 1 61 LYS HZ2 H -7.870 -19.999 8.143 1.00 . A A . 61 LYS HZ2 1 1 35 42449 1 1 61 LYS HZ3 H -9.448 -20.326 7.823 1.00 . A A . 61 LYS HZ3 1 1 35 42450 1 1 61 LYS N N -6.938 -14.660 4.810 1.00 . A A . 61 LYS N 1 1 35 42451 1 1 61 LYS NZ N -8.646 -19.783 7.533 1.00 . A A . 61 LYS NZ 1 1 35 42452 1 1 61 LYS O O -3.722 -15.372 5.137 1.00 . A A . 61 LYS O 1 1 35 42453 1 1 62 CYS C C -3.051 -12.768 4.064 1.00 . A A . 62 CYS C 1 1 35 42454 1 1 62 CYS CA C -3.434 -12.563 5.535 1.00 . A A . 62 CYS CA 1 1 35 42455 1 1 62 CYS CB C -2.309 -12.798 6.524 1.00 . A A . 62 CYS CB 1 1 35 42456 1 1 62 CYS H H -5.401 -12.949 6.203 1.00 . A A . 62 CYS H 1 1 35 42457 1 1 62 CYS HA H -3.775 -11.536 5.617 1.00 . A A . 62 CYS HA 1 1 35 42458 1 1 62 CYS HB2 H -1.877 -13.784 6.353 1.00 . A A . 62 CYS HB2 1 1 35 42459 1 1 62 CYS HB3 H -1.532 -12.045 6.394 1.00 . A A . 62 CYS HB3 1 1 35 42460 1 1 62 CYS N N -4.579 -13.405 5.846 1.00 . A A . 62 CYS N 1 1 35 42461 1 1 62 CYS O O -3.932 -12.752 3.203 1.00 . A A . 62 CYS O 1 1 35 42462 1 1 62 CYS SG S -2.887 -12.759 8.246 1.00 . A A . 62 CYS SG 1 1 35 42463 1 1 63 GLY C C -1.220 -12.521 1.374 1.00 . A A . 63 GLY C 1 1 35 42464 1 1 63 GLY CA C -1.298 -13.537 2.512 1.00 . A A . 63 GLY CA 1 1 35 42465 1 1 63 GLY H H -1.094 -12.840 4.510 1.00 . A A . 63 GLY H 1 1 35 42466 1 1 63 GLY HA2 H -0.305 -13.961 2.675 1.00 . A A . 63 GLY HA2 1 1 35 42467 1 1 63 GLY HA3 H -1.967 -14.346 2.214 1.00 . A A . 63 GLY HA3 1 1 35 42468 1 1 63 GLY N N -1.763 -12.951 3.766 1.00 . A A . 63 GLY N 1 1 35 42469 1 1 63 GLY O O -0.244 -12.491 0.633 1.00 . A A . 63 GLY O 1 1 35 42470 1 1 64 GLY C C -1.117 -9.892 -0.086 1.00 . A A . 64 GLY C 1 1 35 42471 1 1 64 GLY CA C -2.402 -10.666 0.219 1.00 . A A . 64 GLY CA 1 1 35 42472 1 1 64 GLY H H -3.034 -11.836 1.877 1.00 . A A . 64 GLY H 1 1 35 42473 1 1 64 GLY HA2 H -2.785 -11.124 -0.694 1.00 . A A . 64 GLY HA2 1 1 35 42474 1 1 64 GLY HA3 H -3.135 -9.951 0.597 1.00 . A A . 64 GLY HA3 1 1 35 42475 1 1 64 GLY N N -2.252 -11.682 1.251 1.00 . A A . 64 GLY N 1 1 35 42476 1 1 64 GLY O O -0.812 -9.603 -1.239 1.00 . A A . 64 GLY O 1 1 35 42477 1 1 65 CYS C C 1.941 -9.006 1.447 1.00 . A A . 65 CYS C 1 1 35 42478 1 1 65 CYS CA C 0.608 -8.461 0.930 1.00 . A A . 65 CYS CA 1 1 35 42479 1 1 65 CYS CB C 0.099 -7.305 1.755 1.00 . A A . 65 CYS CB 1 1 35 42480 1 1 65 CYS H H -0.688 -9.851 1.870 1.00 . A A . 65 CYS H 1 1 35 42481 1 1 65 CYS HA H 0.759 -8.109 -0.092 1.00 . A A . 65 CYS HA 1 1 35 42482 1 1 65 CYS HB2 H 0.103 -7.613 2.799 1.00 . A A . 65 CYS HB2 1 1 35 42483 1 1 65 CYS HB3 H 0.740 -6.436 1.644 1.00 . A A . 65 CYS HB3 1 1 35 42484 1 1 65 CYS N N -0.399 -9.510 0.971 1.00 . A A . 65 CYS N 1 1 35 42485 1 1 65 CYS O O 2.960 -8.908 0.768 1.00 . A A . 65 CYS O 1 1 35 42486 1 1 65 CYS SG S -1.594 -6.855 1.247 1.00 . A A . 65 CYS SG 1 1 35 42487 1 1 66 HIS C C 3.422 -11.501 2.531 1.00 . A A . 66 HIS C 1 1 35 42488 1 1 66 HIS CA C 3.109 -10.194 3.255 1.00 . A A . 66 HIS CA 1 1 35 42489 1 1 66 HIS CB C 2.863 -10.497 4.740 1.00 . A A . 66 HIS CB 1 1 35 42490 1 1 66 HIS CD2 C 1.401 -8.875 6.082 1.00 . A A . 66 HIS CD2 1 1 35 42491 1 1 66 HIS CE1 C 2.906 -7.416 6.690 1.00 . A A . 66 HIS CE1 1 1 35 42492 1 1 66 HIS CG C 2.608 -9.283 5.589 1.00 . A A . 66 HIS CG 1 1 35 42493 1 1 66 HIS H H 1.061 -9.639 3.154 1.00 . A A . 66 HIS H 1 1 35 42494 1 1 66 HIS HA H 3.956 -9.509 3.169 1.00 . A A . 66 HIS HA 1 1 35 42495 1 1 66 HIS HB2 H 2.026 -11.192 4.826 1.00 . A A . 66 HIS HB2 1 1 35 42496 1 1 66 HIS HB3 H 3.741 -11.012 5.131 1.00 . A A . 66 HIS HB3 1 1 35 42497 1 1 66 HIS HD1 H 4.529 -8.353 5.759 1.00 . A A . 66 HIS HD1 1 1 35 42498 1 1 66 HIS HD2 H 0.445 -9.344 5.968 1.00 . A A . 66 HIS HD2 1 1 35 42499 1 1 66 HIS HE1 H 3.360 -6.536 7.117 1.00 . A A . 66 HIS HE1 1 1 35 42500 1 1 66 HIS N N 1.933 -9.580 2.657 1.00 . A A . 66 HIS N 1 1 35 42501 1 1 66 HIS ND1 N 3.551 -8.370 5.994 1.00 . A A . 66 HIS ND1 1 1 35 42502 1 1 66 HIS NE2 N 1.597 -7.686 6.777 1.00 . A A . 66 HIS NE2 1 1 35 42503 1 1 66 HIS O O 2.594 -12.408 2.533 1.00 . A A . 66 HIS O 1 1 35 42504 1 1 67 ILE C C 5.579 -13.799 2.445 1.00 . A A . 67 ILE C 1 1 35 42505 1 1 67 ILE CA C 5.095 -12.845 1.346 1.00 . A A . 67 ILE CA 1 1 35 42506 1 1 67 ILE CB C 6.169 -12.497 0.296 1.00 . A A . 67 ILE CB 1 1 35 42507 1 1 67 ILE CD1 C 4.443 -11.722 -1.473 1.00 . A A . 67 ILE CD1 1 1 35 42508 1 1 67 ILE CG1 C 5.703 -11.385 -0.669 1.00 . A A . 67 ILE CG1 1 1 35 42509 1 1 67 ILE CG2 C 6.598 -13.744 -0.494 1.00 . A A . 67 ILE CG2 1 1 35 42510 1 1 67 ILE H H 5.301 -10.872 2.076 1.00 . A A . 67 ILE H 1 1 35 42511 1 1 67 ILE HA H 4.265 -13.330 0.829 1.00 . A A . 67 ILE HA 1 1 35 42512 1 1 67 ILE HB H 7.051 -12.113 0.812 1.00 . A A . 67 ILE HB 1 1 35 42513 1 1 67 ILE HD11 H 4.213 -10.887 -2.135 1.00 . A A . 67 ILE HD11 1 1 35 42514 1 1 67 ILE HD12 H 4.598 -12.613 -2.081 1.00 . A A . 67 ILE HD12 1 1 35 42515 1 1 67 ILE HD13 H 3.592 -11.875 -0.809 1.00 . A A . 67 ILE HD13 1 1 35 42516 1 1 67 ILE HG12 H 5.507 -10.467 -0.113 1.00 . A A . 67 ILE HG12 1 1 35 42517 1 1 67 ILE HG13 H 6.509 -11.173 -1.372 1.00 . A A . 67 ILE HG13 1 1 35 42518 1 1 67 ILE HG21 H 7.108 -14.451 0.160 1.00 . A A . 67 ILE HG21 1 1 35 42519 1 1 67 ILE HG22 H 5.731 -14.240 -0.930 1.00 . A A . 67 ILE HG22 1 1 35 42520 1 1 67 ILE HG23 H 7.286 -13.458 -1.289 1.00 . A A . 67 ILE HG23 1 1 35 42521 1 1 67 ILE N N 4.628 -11.626 1.981 1.00 . A A . 67 ILE N 1 1 35 42522 1 1 67 ILE O O 6.779 -13.960 2.674 1.00 . A A . 67 ILE O 1 1 35 42523 1 1 68 LYS C C 3.562 -16.274 4.211 1.00 . A A . 68 LYS C 1 1 35 42524 1 1 68 LYS CA C 4.872 -15.498 4.089 1.00 . A A . 68 LYS CA 1 1 35 42525 1 1 68 LYS CB C 5.315 -14.931 5.448 1.00 . A A . 68 LYS CB 1 1 35 42526 1 1 68 LYS CD C 7.479 -16.260 5.856 1.00 . A A . 68 LYS CD 1 1 35 42527 1 1 68 LYS CE C 8.419 -15.102 6.229 1.00 . A A . 68 LYS CE 1 1 35 42528 1 1 68 LYS CG C 6.037 -15.979 6.312 1.00 . A A . 68 LYS CG 1 1 35 42529 1 1 68 LYS H H 3.640 -14.264 2.960 1.00 . A A . 68 LYS H 1 1 35 42530 1 1 68 LYS HA H 5.624 -16.162 3.667 1.00 . A A . 68 LYS HA 1 1 35 42531 1 1 68 LYS HB2 H 5.952 -14.063 5.301 1.00 . A A . 68 LYS HB2 1 1 35 42532 1 1 68 LYS HB3 H 4.423 -14.594 5.979 1.00 . A A . 68 LYS HB3 1 1 35 42533 1 1 68 LYS HD2 H 7.813 -17.174 6.351 1.00 . A A . 68 LYS HD2 1 1 35 42534 1 1 68 LYS HD3 H 7.493 -16.430 4.779 1.00 . A A . 68 LYS HD3 1 1 35 42535 1 1 68 LYS HE2 H 8.038 -14.169 5.818 1.00 . A A . 68 LYS HE2 1 1 35 42536 1 1 68 LYS HE3 H 8.467 -15.009 7.316 1.00 . A A . 68 LYS HE3 1 1 35 42537 1 1 68 LYS HG2 H 6.046 -15.636 7.348 1.00 . A A . 68 LYS HG2 1 1 35 42538 1 1 68 LYS HG3 H 5.463 -16.908 6.276 1.00 . A A . 68 LYS HG3 1 1 35 42539 1 1 68 LYS HZ1 H 9.742 -15.286 4.676 1.00 . A A . 68 LYS HZ1 1 1 35 42540 1 1 68 LYS HZ2 H 10.362 -14.520 5.992 1.00 . A A . 68 LYS HZ2 1 1 35 42541 1 1 68 LYS HZ3 H 10.174 -16.157 6.011 1.00 . A A . 68 LYS HZ3 1 1 35 42542 1 1 68 LYS N N 4.631 -14.423 3.146 1.00 . A A . 68 LYS N 1 1 35 42543 1 1 68 LYS NZ N 9.778 -15.287 5.687 1.00 . A A . 68 LYS NZ 1 1 35 42544 1 1 68 LYS O O 3.624 -17.434 4.673 1.00 . A A . 68 LYS O 1 1 35 42545 1 1 68 LYS OXT O 2.528 -15.675 3.839 1.00 . A A . 68 LYS OXT 1 1 35 42546 2 2 1 HEC C1A C 7.556 7.600 -3.654 1.00 . B A . 69 HEC C1A 1 1 35 42547 2 2 1 HEC C1B C 5.074 8.944 -6.869 1.00 . B A . 69 HEC C1B 1 1 35 42548 2 2 1 HEC C1C C 1.967 6.346 -5.563 1.00 . B A . 69 HEC C1C 1 1 35 42549 2 2 1 HEC C1D C 4.197 5.545 -2.047 1.00 . B A . 69 HEC C1D 1 1 35 42550 2 2 1 HEC C2A C 8.764 8.238 -4.124 1.00 . B A . 69 HEC C2A 1 1 35 42551 2 2 1 HEC C2B C 4.387 9.449 -8.035 1.00 . B A . 69 HEC C2B 1 1 35 42552 2 2 1 HEC C2C C 0.734 5.732 -5.128 1.00 . B A . 69 HEC C2C 1 1 35 42553 2 2 1 HEC C2D C 4.853 5.089 -0.853 1.00 . B A . 69 HEC C2D 1 1 35 42554 2 2 1 HEC C3A C 8.386 9.098 -5.126 1.00 . B A . 69 HEC C3A 1 1 35 42555 2 2 1 HEC C3B C 3.245 8.698 -8.199 1.00 . B A . 69 HEC C3B 1 1 35 42556 2 2 1 HEC C3C C 0.929 5.282 -3.841 1.00 . B A . 69 HEC C3C 1 1 35 42557 2 2 1 HEC C3D C 6.168 5.469 -0.945 1.00 . B A . 69 HEC C3D 1 1 35 42558 2 2 1 HEC C4A C 7.002 8.815 -5.430 1.00 . B A . 69 HEC C4A 1 1 35 42559 2 2 1 HEC C4B C 3.174 7.805 -7.056 1.00 . B A . 69 HEC C4B 1 1 35 42560 2 2 1 HEC C4C C 2.300 5.602 -3.501 1.00 . B A . 69 HEC C4C 1 1 35 42561 2 2 1 HEC C4D C 6.304 6.197 -2.178 1.00 . B A . 69 HEC C4D 1 1 35 42562 2 2 1 HEC CAA C 10.185 7.929 -3.687 1.00 . B A . 69 HEC CAA 1 1 35 42563 2 2 1 HEC CAB C 2.324 8.713 -9.416 1.00 . B A . 69 HEC CAB 1 1 35 42564 2 2 1 HEC CAC C -0.129 4.759 -2.876 1.00 . B A . 69 HEC CAC 1 1 35 42565 2 2 1 HEC CAD C 7.238 5.284 0.099 1.00 . B A . 69 HEC CAD 1 1 35 42566 2 2 1 HEC CBA C 11.150 7.516 -4.816 1.00 . B A . 69 HEC CBA 1 1 35 42567 2 2 1 HEC CBB C 3.096 8.501 -10.728 1.00 . B A . 69 HEC CBB 1 1 35 42568 2 2 1 HEC CBC C -0.776 3.426 -3.268 1.00 . B A . 69 HEC CBC 1 1 35 42569 2 2 1 HEC CBD C 8.017 3.974 -0.016 1.00 . B A . 69 HEC CBD 1 1 35 42570 2 2 1 HEC CGA C 10.744 6.280 -5.643 1.00 . B A . 69 HEC CGA 1 1 35 42571 2 2 1 HEC CGD C 9.127 3.955 1.030 1.00 . B A . 69 HEC CGD 1 1 35 42572 2 2 1 HEC CHA C 7.481 6.773 -2.560 1.00 . B A . 69 HEC CHA 1 1 35 42573 2 2 1 HEC CHB C 6.320 9.388 -6.476 1.00 . B A . 69 HEC CHB 1 1 35 42574 2 2 1 HEC CHC C 2.103 6.978 -6.778 1.00 . B A . 69 HEC CHC 1 1 35 42575 2 2 1 HEC CHD C 2.884 5.267 -2.302 1.00 . B A . 69 HEC CHD 1 1 35 42576 2 2 1 HEC CMA C 9.274 10.092 -5.837 1.00 . B A . 69 HEC CMA 1 1 35 42577 2 2 1 HEC CMB C 4.855 10.590 -8.909 1.00 . B A . 69 HEC CMB 1 1 35 42578 2 2 1 HEC CMC C -0.574 5.815 -5.878 1.00 . B A . 69 HEC CMC 1 1 35 42579 2 2 1 HEC CMD C 4.201 4.303 0.253 1.00 . B A . 69 HEC CMD 1 1 35 42580 2 2 1 HEC FE FE 4.718 7.075 -4.574 1.00 . B A . 69 HEC FE 1 1 35 42581 2 2 1 HEC HAA1 H 10.594 8.803 -3.181 1.00 . B A . 69 HEC HAA1 1 1 35 42582 2 2 1 HEC HAA2 H 10.182 7.095 -2.989 1.00 . B A . 69 HEC HAA2 1 1 35 42583 2 2 1 HEC HAB H 1.605 7.907 -9.325 1.00 . B A . 69 HEC HAB 1 1 35 42584 2 2 1 HEC HAC H 0.308 4.580 -1.899 1.00 . B A . 69 HEC HAC 1 1 35 42585 2 2 1 HEC HAD1 H 7.950 6.100 0.067 1.00 . B A . 69 HEC HAD1 1 1 35 42586 2 2 1 HEC HAD2 H 6.783 5.330 1.073 1.00 . B A . 69 HEC HAD2 1 1 35 42587 2 2 1 HEC HBA1 H 11.293 8.356 -5.495 1.00 . B A . 69 HEC HBA1 1 1 35 42588 2 2 1 HEC HBA2 H 12.117 7.306 -4.355 1.00 . B A . 69 HEC HBA2 1 1 35 42589 2 2 1 HEC HBB1 H 3.728 9.356 -10.956 1.00 . B A . 69 HEC HBB1 1 1 35 42590 2 2 1 HEC HBB2 H 3.728 7.615 -10.658 1.00 . B A . 69 HEC HBB2 1 1 35 42591 2 2 1 HEC HBB3 H 2.393 8.386 -11.555 1.00 . B A . 69 HEC HBB3 1 1 35 42592 2 2 1 HEC HBC1 H -1.473 3.552 -4.091 1.00 . B A . 69 HEC HBC1 1 1 35 42593 2 2 1 HEC HBC2 H -0.009 2.704 -3.550 1.00 . B A . 69 HEC HBC2 1 1 35 42594 2 2 1 HEC HBC3 H -1.329 3.028 -2.419 1.00 . B A . 69 HEC HBC3 1 1 35 42595 2 2 1 HEC HBD1 H 7.348 3.137 0.158 1.00 . B A . 69 HEC HBD1 1 1 35 42596 2 2 1 HEC HBD2 H 8.441 3.893 -1.019 1.00 . B A . 69 HEC HBD2 1 1 35 42597 2 2 1 HEC HHA H 8.337 6.576 -1.945 1.00 . B A . 69 HEC HHA 1 1 35 42598 2 2 1 HEC HHB H 6.817 10.136 -7.059 1.00 . B A . 69 HEC HHB 1 1 35 42599 2 2 1 HEC HHC H 1.286 6.917 -7.465 1.00 . B A . 69 HEC HHC 1 1 35 42600 2 2 1 HEC HHD H 2.335 4.703 -1.565 1.00 . B A . 69 HEC HHD 1 1 35 42601 2 2 1 HEC HMA1 H 10.138 10.329 -5.217 1.00 . B A . 69 HEC HMA1 1 1 35 42602 2 2 1 HEC HMA2 H 9.611 9.660 -6.779 1.00 . B A . 69 HEC HMA2 1 1 35 42603 2 2 1 HEC HMA3 H 8.730 11.015 -6.030 1.00 . B A . 69 HEC HMA3 1 1 35 42604 2 2 1 HEC HMB1 H 5.285 11.377 -8.295 1.00 . B A . 69 HEC HMB1 1 1 35 42605 2 2 1 HEC HMB2 H 5.603 10.228 -9.616 1.00 . B A . 69 HEC HMB2 1 1 35 42606 2 2 1 HEC HMB3 H 4.013 11.020 -9.447 1.00 . B A . 69 HEC HMB3 1 1 35 42607 2 2 1 HEC HMC1 H -0.831 6.864 -6.020 1.00 . B A . 69 HEC HMC1 1 1 35 42608 2 2 1 HEC HMC2 H -0.482 5.320 -6.843 1.00 . B A . 69 HEC HMC2 1 1 35 42609 2 2 1 HEC HMC3 H -1.372 5.357 -5.306 1.00 . B A . 69 HEC HMC3 1 1 35 42610 2 2 1 HEC HMD1 H 4.909 4.098 1.049 1.00 . B A . 69 HEC HMD1 1 1 35 42611 2 2 1 HEC HMD2 H 3.338 4.839 0.650 1.00 . B A . 69 HEC HMD2 1 1 35 42612 2 2 1 HEC HMD3 H 3.848 3.368 -0.163 1.00 . B A . 69 HEC HMD3 1 1 35 42613 2 2 1 HEC NA N 6.547 7.924 -4.521 1.00 . B A . 69 HEC NA 1 1 35 42614 2 2 1 HEC NB N 4.293 7.993 -6.297 1.00 . B A . 69 HEC NB 1 1 35 42615 2 2 1 HEC NC N 2.863 6.268 -4.552 1.00 . B A . 69 HEC NC 1 1 35 42616 2 2 1 HEC ND N 5.100 6.228 -2.796 1.00 . B A . 69 HEC ND 1 1 35 42617 2 2 1 HEC O1A O 11.303 6.109 -6.750 1.00 . B A . 69 HEC O1A 1 1 35 42618 2 2 1 HEC O1D O 8.871 4.388 2.179 1.00 . B A . 69 HEC O1D 1 1 35 42619 2 2 1 HEC O2A O 9.886 5.484 -5.204 1.00 . B A . 69 HEC O2A 1 1 35 42620 2 2 1 HEC O2D O 10.301 3.692 0.679 1.00 . B A . 69 HEC O2D 1 1 35 42621 3 2 1 HEC C1A C -3.079 -3.878 -4.907 1.00 . C A . 70 HEC C1A 1 1 35 42622 3 2 1 HEC C1B C -1.285 -2.232 -1.392 1.00 . C A . 70 HEC C1B 1 1 35 42623 3 2 1 HEC C1C C -3.693 1.263 -1.826 1.00 . C A . 70 HEC C1C 1 1 35 42624 3 2 1 HEC C1D C -5.516 -0.385 -5.318 1.00 . C A . 70 HEC C1D 1 1 35 42625 3 2 1 HEC C2A C -2.329 -5.113 -4.895 1.00 . C A . 70 HEC C2A 1 1 35 42626 3 2 1 HEC C2B C -0.581 -1.796 -0.210 1.00 . C A . 70 HEC C2B 1 1 35 42627 3 2 1 HEC C2C C -4.455 2.486 -1.805 1.00 . C A . 70 HEC C2C 1 1 35 42628 3 2 1 HEC C2D C -6.157 -0.776 -6.552 1.00 . C A . 70 HEC C2D 1 1 35 42629 3 2 1 HEC C3A C -1.605 -5.139 -3.727 1.00 . C A . 70 HEC C3A 1 1 35 42630 3 2 1 HEC C3B C -1.066 -0.549 0.118 1.00 . C A . 70 HEC C3B 1 1 35 42631 3 2 1 HEC C3C C -5.416 2.382 -2.784 1.00 . C A . 70 HEC C3C 1 1 35 42632 3 2 1 HEC C3D C -5.612 -1.978 -6.928 1.00 . C A . 70 HEC C3D 1 1 35 42633 3 2 1 HEC C4A C -1.801 -3.864 -3.078 1.00 . C A . 70 HEC C4A 1 1 35 42634 3 2 1 HEC C4B C -2.017 -0.195 -0.911 1.00 . C A . 70 HEC C4B 1 1 35 42635 3 2 1 HEC C4C C -5.118 1.170 -3.521 1.00 . C A . 70 HEC C4C 1 1 35 42636 3 2 1 HEC C4D C -4.645 -2.347 -5.920 1.00 . C A . 70 HEC C4D 1 1 35 42637 3 2 1 HEC CAA C -2.309 -6.158 -5.991 1.00 . C A . 70 HEC CAA 1 1 35 42638 3 2 1 HEC CAB C -0.744 0.280 1.356 1.00 . C A . 70 HEC CAB 1 1 35 42639 3 2 1 HEC CAC C -6.708 3.189 -2.880 1.00 . C A . 70 HEC CAC 1 1 35 42640 3 2 1 HEC CAD C -5.936 -2.724 -8.205 1.00 . C A . 70 HEC CAD 1 1 35 42641 3 2 1 HEC CBA C -3.531 -7.083 -5.975 1.00 . C A . 70 HEC CBA 1 1 35 42642 3 2 1 HEC CBB C 0.650 0.894 1.324 1.00 . C A . 70 HEC CBB 1 1 35 42643 3 2 1 HEC CBC C -6.604 4.547 -3.570 1.00 . C A . 70 HEC CBC 1 1 35 42644 3 2 1 HEC CBD C -5.172 -2.156 -9.417 1.00 . C A . 70 HEC CBD 1 1 35 42645 3 2 1 HEC CGA C -3.643 -7.851 -4.656 1.00 . C A . 70 HEC CGA 1 1 35 42646 3 2 1 HEC CGD C -4.284 -3.146 -10.187 1.00 . C A . 70 HEC CGD 1 1 35 42647 3 2 1 HEC CHA C -3.925 -3.517 -5.933 1.00 . C A . 70 HEC CHA 1 1 35 42648 3 2 1 HEC CHB C -1.094 -3.469 -1.960 1.00 . C A . 70 HEC CHB 1 1 35 42649 3 2 1 HEC CHC C -2.736 0.969 -0.887 1.00 . C A . 70 HEC CHC 1 1 35 42650 3 2 1 HEC CHD C -5.814 0.773 -4.641 1.00 . C A . 70 HEC CHD 1 1 35 42651 3 2 1 HEC CMA C -0.735 -6.268 -3.223 1.00 . C A . 70 HEC CMA 1 1 35 42652 3 2 1 HEC CMB C 0.423 -2.627 0.556 1.00 . C A . 70 HEC CMB 1 1 35 42653 3 2 1 HEC CMC C -4.244 3.632 -0.841 1.00 . C A . 70 HEC CMC 1 1 35 42654 3 2 1 HEC CMD C -7.209 -0.006 -7.322 1.00 . C A . 70 HEC CMD 1 1 35 42655 3 2 1 HEC FE FE -3.378 -1.313 -3.376 1.00 . C A . 70 HEC FE 1 1 35 42656 3 2 1 HEC HAA1 H -2.257 -5.663 -6.961 1.00 . C A . 70 HEC HAA1 1 1 35 42657 3 2 1 HEC HAA2 H -1.420 -6.779 -5.891 1.00 . C A . 70 HEC HAA2 1 1 35 42658 3 2 1 HEC HAB H -1.416 1.121 1.468 1.00 . C A . 70 HEC HAB 1 1 35 42659 3 2 1 HEC HAC H -7.454 2.610 -3.423 1.00 . C A . 70 HEC HAC 1 1 35 42660 3 2 1 HEC HAD1 H -5.740 -3.786 -8.081 1.00 . C A . 70 HEC HAD1 1 1 35 42661 3 2 1 HEC HAD2 H -7.003 -2.632 -8.400 1.00 . C A . 70 HEC HAD2 1 1 35 42662 3 2 1 HEC HBA1 H -4.435 -6.491 -6.132 1.00 . C A . 70 HEC HBA1 1 1 35 42663 3 2 1 HEC HBA2 H -3.443 -7.790 -6.802 1.00 . C A . 70 HEC HBA2 1 1 35 42664 3 2 1 HEC HBB1 H 0.761 1.556 2.179 1.00 . C A . 70 HEC HBB1 1 1 35 42665 3 2 1 HEC HBB2 H 1.408 0.118 1.372 1.00 . C A . 70 HEC HBB2 1 1 35 42666 3 2 1 HEC HBB3 H 0.787 1.472 0.410 1.00 . C A . 70 HEC HBB3 1 1 35 42667 3 2 1 HEC HBC1 H -5.866 5.163 -3.065 1.00 . C A . 70 HEC HBC1 1 1 35 42668 3 2 1 HEC HBC2 H -6.329 4.404 -4.609 1.00 . C A . 70 HEC HBC2 1 1 35 42669 3 2 1 HEC HBC3 H -7.569 5.052 -3.538 1.00 . C A . 70 HEC HBC3 1 1 35 42670 3 2 1 HEC HBD1 H -5.912 -1.748 -10.108 1.00 . C A . 70 HEC HBD1 1 1 35 42671 3 2 1 HEC HBD2 H -4.537 -1.334 -9.082 1.00 . C A . 70 HEC HBD2 1 1 35 42672 3 2 1 HEC HHA H -4.045 -4.198 -6.759 1.00 . C A . 70 HEC HHA 1 1 35 42673 3 2 1 HEC HHB H -0.349 -4.129 -1.538 1.00 . C A . 70 HEC HHB 1 1 35 42674 3 2 1 HEC HHC H -2.580 1.639 -0.063 1.00 . C A . 70 HEC HHC 1 1 35 42675 3 2 1 HEC HHD H -6.578 1.421 -5.022 1.00 . C A . 70 HEC HHD 1 1 35 42676 3 2 1 HEC HMA1 H 0.316 -6.043 -3.404 1.00 . C A . 70 HEC HMA1 1 1 35 42677 3 2 1 HEC HMA2 H -0.902 -6.404 -2.155 1.00 . C A . 70 HEC HMA2 1 1 35 42678 3 2 1 HEC HMA3 H -1.000 -7.207 -3.710 1.00 . C A . 70 HEC HMA3 1 1 35 42679 3 2 1 HEC HMB1 H 0.856 -2.060 1.375 1.00 . C A . 70 HEC HMB1 1 1 35 42680 3 2 1 HEC HMB2 H -0.081 -3.504 0.959 1.00 . C A . 70 HEC HMB2 1 1 35 42681 3 2 1 HEC HMB3 H 1.219 -2.949 -0.113 1.00 . C A . 70 HEC HMB3 1 1 35 42682 3 2 1 HEC HMC1 H -3.187 3.898 -0.811 1.00 . C A . 70 HEC HMC1 1 1 35 42683 3 2 1 HEC HMC2 H -4.803 4.509 -1.158 1.00 . C A . 70 HEC HMC2 1 1 35 42684 3 2 1 HEC HMC3 H -4.581 3.337 0.153 1.00 . C A . 70 HEC HMC3 1 1 35 42685 3 2 1 HEC HMD1 H -7.057 -0.158 -8.390 1.00 . C A . 70 HEC HMD1 1 1 35 42686 3 2 1 HEC HMD2 H -8.198 -0.369 -7.049 1.00 . C A . 70 HEC HMD2 1 1 35 42687 3 2 1 HEC HMD3 H -7.149 1.063 -7.122 1.00 . C A . 70 HEC HMD3 1 1 35 42688 3 2 1 HEC NA N -2.724 -3.154 -3.799 1.00 . C A . 70 HEC NA 1 1 35 42689 3 2 1 HEC NB N -2.131 -1.237 -1.781 1.00 . C A . 70 HEC NB 1 1 35 42690 3 2 1 HEC NC N -4.093 0.525 -2.892 1.00 . C A . 70 HEC NC 1 1 35 42691 3 2 1 HEC ND N -4.625 -1.357 -4.984 1.00 . C A . 70 HEC ND 1 1 35 42692 3 2 1 HEC O1A O -4.370 -7.350 -3.767 1.00 . C A . 70 HEC O1A 1 1 35 42693 3 2 1 HEC O1D O -3.739 -2.711 -11.232 1.00 . C A . 70 HEC O1D 1 1 35 42694 3 2 1 HEC O2A O -3.002 -8.918 -4.558 1.00 . C A . 70 HEC O2A 1 1 35 42695 3 2 1 HEC O2D O -4.162 -4.308 -9.745 1.00 . C A . 70 HEC O2D 1 1 35 42696 4 2 1 HEC C1A C 2.295 -5.537 9.600 1.00 . D A . 71 HEC C1A 1 1 35 42697 4 2 1 HEC C1B C -0.316 -8.921 9.565 1.00 . D A . 71 HEC C1B 1 1 35 42698 4 2 1 HEC C1C C -1.793 -7.772 5.732 1.00 . D A . 71 HEC C1C 1 1 35 42699 4 2 1 HEC C1D C 0.863 -4.439 5.724 1.00 . D A . 71 HEC C1D 1 1 35 42700 4 2 1 HEC C2A C 2.939 -5.825 10.861 1.00 . D A . 71 HEC C2A 1 1 35 42701 4 2 1 HEC C2B C -1.121 -10.113 9.701 1.00 . D A . 71 HEC C2B 1 1 35 42702 4 2 1 HEC C2C C -2.364 -7.546 4.428 1.00 . D A . 71 HEC C2C 1 1 35 42703 4 2 1 HEC C2D C 1.689 -3.263 5.593 1.00 . D A . 71 HEC C2D 1 1 35 42704 4 2 1 HEC C3A C 2.323 -6.946 11.364 1.00 . D A . 71 HEC C3A 1 1 35 42705 4 2 1 HEC C3B C -1.971 -10.159 8.619 1.00 . D A . 71 HEC C3B 1 1 35 42706 4 2 1 HEC C3C C -1.819 -6.379 3.944 1.00 . D A . 71 HEC C3C 1 1 35 42707 4 2 1 HEC C3D C 2.357 -3.110 6.784 1.00 . D A . 71 HEC C3D 1 1 35 42708 4 2 1 HEC C4A C 1.366 -7.392 10.374 1.00 . D A . 71 HEC C4A 1 1 35 42709 4 2 1 HEC C4B C -1.569 -9.083 7.737 1.00 . D A . 71 HEC C4B 1 1 35 42710 4 2 1 HEC C4C C -0.841 -5.944 4.925 1.00 . D A . 71 HEC C4C 1 1 35 42711 4 2 1 HEC C4D C 2.061 -4.262 7.584 1.00 . D A . 71 HEC C4D 1 1 35 42712 4 2 1 HEC CAA C 4.223 -5.198 11.380 1.00 . D A . 71 HEC CAA 1 1 35 42713 4 2 1 HEC CAB C -3.238 -10.996 8.496 1.00 . D A . 71 HEC CAB 1 1 35 42714 4 2 1 HEC CAC C -2.098 -5.742 2.587 1.00 . D A . 71 HEC CAC 1 1 35 42715 4 2 1 HEC CAD C 3.227 -1.956 7.224 1.00 . D A . 71 HEC CAD 1 1 35 42716 4 2 1 HEC CBA C 5.435 -6.010 10.909 1.00 . D A . 71 HEC CBA 1 1 35 42717 4 2 1 HEC CBB C -4.168 -10.862 9.707 1.00 . D A . 71 HEC CBB 1 1 35 42718 4 2 1 HEC CBC C -3.549 -5.291 2.375 1.00 . D A . 71 HEC CBC 1 1 35 42719 4 2 1 HEC CBD C 4.714 -2.241 7.053 1.00 . D A . 71 HEC CBD 1 1 35 42720 4 2 1 HEC CGA C 6.811 -5.392 11.165 1.00 . D A . 71 HEC CGA 1 1 35 42721 4 2 1 HEC CGD C 4.951 -2.581 5.593 1.00 . D A . 71 HEC CGD 1 1 35 42722 4 2 1 HEC CHA C 2.629 -4.475 8.812 1.00 . D A . 71 HEC CHA 1 1 35 42723 4 2 1 HEC CHB C 0.593 -8.521 10.523 1.00 . D A . 71 HEC CHB 1 1 35 42724 4 2 1 HEC CHC C -2.123 -8.865 6.494 1.00 . D A . 71 HEC CHC 1 1 35 42725 4 2 1 HEC CHD C -0.018 -4.854 4.753 1.00 . D A . 71 HEC CHD 1 1 35 42726 4 2 1 HEC CMA C 2.568 -7.562 12.722 1.00 . D A . 71 HEC CMA 1 1 35 42727 4 2 1 HEC CMB C -1.004 -11.129 10.814 1.00 . D A . 71 HEC CMB 1 1 35 42728 4 2 1 HEC CMC C -3.343 -8.474 3.739 1.00 . D A . 71 HEC CMC 1 1 35 42729 4 2 1 HEC CMD C 1.821 -2.396 4.367 1.00 . D A . 71 HEC CMD 1 1 35 42730 4 2 1 HEC FE FE 0.240 -6.638 7.688 1.00 . D A . 71 HEC FE 1 1 35 42731 4 2 1 HEC HAA1 H 4.353 -4.183 11.017 1.00 . D A . 71 HEC HAA1 1 1 35 42732 4 2 1 HEC HAA2 H 4.228 -5.150 12.467 1.00 . D A . 71 HEC HAA2 1 1 35 42733 4 2 1 HEC HAB H -3.831 -10.639 7.661 1.00 . D A . 71 HEC HAB 1 1 35 42734 4 2 1 HEC HAC H -1.504 -4.845 2.460 1.00 . D A . 71 HEC HAC 1 1 35 42735 4 2 1 HEC HAD1 H 2.998 -1.067 6.643 1.00 . D A . 71 HEC HAD1 1 1 35 42736 4 2 1 HEC HAD2 H 3.029 -1.743 8.263 1.00 . D A . 71 HEC HAD2 1 1 35 42737 4 2 1 HEC HBA1 H 5.401 -6.959 11.440 1.00 . D A . 71 HEC HBA1 1 1 35 42738 4 2 1 HEC HBA2 H 5.330 -6.167 9.835 1.00 . D A . 71 HEC HBA2 1 1 35 42739 4 2 1 HEC HBB1 H -4.403 -9.811 9.874 1.00 . D A . 71 HEC HBB1 1 1 35 42740 4 2 1 HEC HBB2 H -5.095 -11.403 9.512 1.00 . D A . 71 HEC HBB2 1 1 35 42741 4 2 1 HEC HBB3 H -3.710 -11.274 10.604 1.00 . D A . 71 HEC HBB3 1 1 35 42742 4 2 1 HEC HBC1 H -3.826 -4.570 3.144 1.00 . D A . 71 HEC HBC1 1 1 35 42743 4 2 1 HEC HBC2 H -3.637 -4.815 1.396 1.00 . D A . 71 HEC HBC2 1 1 35 42744 4 2 1 HEC HBC3 H -4.239 -6.130 2.409 1.00 . D A . 71 HEC HBC3 1 1 35 42745 4 2 1 HEC HBD1 H 5.289 -1.358 7.333 1.00 . D A . 71 HEC HBD1 1 1 35 42746 4 2 1 HEC HBD2 H 5.014 -3.073 7.692 1.00 . D A . 71 HEC HBD2 1 1 35 42747 4 2 1 HEC HHA H 3.388 -3.793 9.140 1.00 . D A . 71 HEC HHA 1 1 35 42748 4 2 1 HEC HHB H 0.690 -9.106 11.416 1.00 . D A . 71 HEC HHB 1 1 35 42749 4 2 1 HEC HHC H -2.791 -9.589 6.067 1.00 . D A . 71 HEC HHC 1 1 35 42750 4 2 1 HEC HHD H -0.054 -4.312 3.825 1.00 . D A . 71 HEC HHD 1 1 35 42751 4 2 1 HEC HMA1 H 1.768 -7.251 13.395 1.00 . D A . 71 HEC HMA1 1 1 35 42752 4 2 1 HEC HMA2 H 2.580 -8.645 12.655 1.00 . D A . 71 HEC HMA2 1 1 35 42753 4 2 1 HEC HMA3 H 3.521 -7.223 13.125 1.00 . D A . 71 HEC HMA3 1 1 35 42754 4 2 1 HEC HMB1 H -1.437 -10.726 11.727 1.00 . D A . 71 HEC HMB1 1 1 35 42755 4 2 1 HEC HMB2 H -1.516 -12.051 10.543 1.00 . D A . 71 HEC HMB2 1 1 35 42756 4 2 1 HEC HMB3 H 0.045 -11.368 10.975 1.00 . D A . 71 HEC HMB3 1 1 35 42757 4 2 1 HEC HMC1 H -3.498 -8.186 2.703 1.00 . D A . 71 HEC HMC1 1 1 35 42758 4 2 1 HEC HMC2 H -2.945 -9.489 3.743 1.00 . D A . 71 HEC HMC2 1 1 35 42759 4 2 1 HEC HMC3 H -4.293 -8.454 4.269 1.00 . D A . 71 HEC HMC3 1 1 35 42760 4 2 1 HEC HMD1 H 2.627 -2.788 3.749 1.00 . D A . 71 HEC HMD1 1 1 35 42761 4 2 1 HEC HMD2 H 0.900 -2.363 3.798 1.00 . D A . 71 HEC HMD2 1 1 35 42762 4 2 1 HEC HMD3 H 2.087 -1.383 4.644 1.00 . D A . 71 HEC HMD3 1 1 35 42763 4 2 1 HEC NA N 1.382 -6.516 9.345 1.00 . D A . 71 HEC NA 1 1 35 42764 4 2 1 HEC NB N -0.616 -8.338 8.376 1.00 . D A . 71 HEC NB 1 1 35 42765 4 2 1 HEC NC N -0.899 -6.793 5.999 1.00 . D A . 71 HEC NC 1 1 35 42766 4 2 1 HEC ND N 1.124 -5.001 6.942 1.00 . D A . 71 HEC ND 1 1 35 42767 4 2 1 HEC O1A O 7.767 -5.874 10.509 1.00 . D A . 71 HEC O1A 1 1 35 42768 4 2 1 HEC O1D O 5.317 -3.746 5.326 1.00 . D A . 71 HEC O1D 1 1 35 42769 4 2 1 HEC O2A O 6.884 -4.490 12.027 1.00 . D A . 71 HEC O2A 1 1 35 42770 4 2 1 HEC O2D O 4.645 -1.699 4.767 1.00 . D A . 71 HEC O2D 1 1 stop_ save_
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